337
Masters Research Project i A A A A PROJECT REPORT PROJECT REPORT PROJECT REPORT PROJECT REPORT ON ON ON ON MOLECULAR MOLECULAR MOLECULAR MOLECULAR MODELING AGAINEST LEUKEMIA MODELING AGAINEST LEUKEMIA MODELING AGAINEST LEUKEMIA MODELING AGAINEST LEUKEMIA SHARMA MAHESH SHARMA MAHESH SHARMA MAHESH SHARMA MAHESH International E – Publication www.isca.co.in , www.isca.me

A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

  • Upload
    others

  • View
    3

  • Download
    0

Embed Size (px)

Citation preview

Page 1: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

i

AAAA

PROJECT REPORTPROJECT REPORTPROJECT REPORTPROJECT REPORT

ONONONON

MOLECULARMOLECULARMOLECULARMOLECULAR

MODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIA

SHARMA MAHESHSHARMA MAHESHSHARMA MAHESHSHARMA MAHESH

International E – Publication www.isca.co.in , www.isca.me

Page 2: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

ii

AAAA

PROJECT REPORTPROJECT REPORTPROJECT REPORTPROJECT REPORT

ONONONON

MOLECULARMOLECULARMOLECULARMOLECULAR

MODELING AGAINEMODELING AGAINEMODELING AGAINEMODELING AGAINEST LEUKEMIAST LEUKEMIAST LEUKEMIAST LEUKEMIA

By

SHARMA MAHESHSHARMA MAHESHSHARMA MAHESHSHARMA MAHESH

Forensic Expert & Investigator, SIFS INDIA, 2443, Hudson Lines,

Kingsway Camp, Delhi-110009, INDIA

Anglia Ruskin University Cambridge, East Road (UK) CB1 1PT

2015

International E - Publication

www.isca.me , www.isca.co.in

Page 3: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

iii

International E - Publication 427, Palhar Nagar, RAPTC, VIP-Road, Indore-452005 (MP) INDIA

Phone: +91-731-2616100, Mobile: +91-80570-83382

E-mail: [email protected] , Website: www.isca.me , www.isca.co.in

© Copyright Reserved

2015

All rights reserved. No part of this publication may be reproduced, stored, in a

retrieval system or transmitted, in any form or by any means, electronic,

mechanical, photocopying, reordering or otherwise, without the prior

permission of the publisher.

ISBN: 978-93-84648-61-9

Page 4: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

iv

AAAA

PROJECT REPORTPROJECT REPORTPROJECT REPORTPROJECT REPORT

ONONONON

MOLECULARMOLECULARMOLECULARMOLECULAR

MODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIAMODELING AGAINEST LEUKEMIA

By

SHARMA MAHESHSHARMA MAHESHSHARMA MAHESHSHARMA MAHESH

Forensic Expert & Investigator, SIFS INDIA, 2443, Hudson Lines,

Kingsway Camp, Delhi-110009, INDIA

Anglia Ruskin University Cambridge, East Road (UK) CB1 1PT

CEO GUIDE

Mr.G.V.L.P Subba RaoMr.G.V.L.P Subba RaoMr.G.V.L.P Subba RaoMr.G.V.L.P Subba Rao Ms.B.BhavaniMs.B.BhavaniMs.B.BhavaniMs.B.Bhavani

BioMed InformaticsBioMed InformaticsBioMed InformaticsBioMed Informatics Ms. M.SrividyaMs. M.SrividyaMs. M.SrividyaMs. M.Srividya

Drug discovery & clinical Research ceDrug discovery & clinical Research ceDrug discovery & clinical Research ceDrug discovery & clinical Research centententente

Ms.B.ChandrakalaMs.B.ChandrakalaMs.B.ChandrakalaMs.B.Chandrakala

Medwin Hospitals , Hyderabad Medwin Hospitals , Hyderabad Medwin Hospitals , Hyderabad Medwin Hospitals , Hyderabad

(A.P.) , INDIA (A.P.) , INDIA (A.P.) , INDIA (A.P.) , INDIA

Page 5: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

v

Page 6: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

vi

DDDDEDICATIOEDICATIOEDICATIOEDICATIONNNN

This project is dedicated to my parents, Family And my Friends.

Page 7: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

vii

DDDDECLARATIOECLARATIOECLARATIOECLARATIONNNN

I am MAHESH SHARMA here by declare that the work done in the

project “ MOLECULAR MODELING AGAINEST LEUKMIA “ by me

and it`s all work have done in lab of BIOMED INFORMATICS, DRUG

DISCOVERY AND CLINICAL RESEARCH CENTER, MEDWIN

HOSPITALS IN HYDERABAD. This is not published and submitted at

any other university or copy from any other resource

MAHESH SHARMA

Page 8: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

viii

CCCCERTIFICATERTIFICATERTIFICATERTIFICATEEEE

This is to certify that I (MAHESH SHARMA) student Bioinformatics have

carried out project “ MOLECULAR MODELING AGAINEST

LEUKMIA “ at BIOMED INFORMATICS, DRUG DISCOVERY AND

CLINICAL RESEARCH CENTER, MEDWIN HOSPITALS IN

HYDERABAD. This is being as minor project for Bioinformatics. this

project has not submitted to any university and not published or copy from

the other resources.

Sign. And seal Sign. And seal Sign. And seal Sign. And seal

CEO GUIDE

Mr.G.V.L.P Subba Rao Ms.B.Bhavani

BioMed InBioMed InBioMed InBioMed Informaticsformaticsformaticsformatics Ms. M.Srividya

Drug discovery & clinical Research ceDrug discovery & clinical Research ceDrug discovery & clinical Research ceDrug discovery & clinical Research centententente Ms.B.Chandrakala

Medwin Hospitals in Hyderabad

Page 9: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

ix

AAAACKNOWLEDGMENCKNOWLEDGMENCKNOWLEDGMENCKNOWLEDGMENTTTT

First I “Praise to the god Almighty” for abundantly pouring his blessings and grace to

finish this project successfully.

I want to express deep gratitude to acknowledge the immense help of all those who

contributed with valuable suggestions and timely assistance to complete this work.

I am very grateful to my guide Ms.B.Bhavani, for her valuable guidance throughout my

project. I also thanks for her guidance in the project work presented in this dissertation. It

was mainly due to her effort that the current project made possible. I also express my

indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for

me to complete my project.

Special thanks also go to Mr.G.V.L.P Subba Rao, CEO, BioMed Informatics, Drug

discovery and clinical Research center, Medwin Hospitals in Hyderabad, for his kind co-

operation to complete my project. We would also like to thank him for being so

supportive of my work.

The support, patience and encouragement rendered by family members are countless that

shall be long remembered.

I am also very much thankful to all my friends for their timely support during my

dissertation.

CEO

Mr.G.V.L.P Subba Rao MAHESH SHARMA BioMed Informatics

Drug discovery & clinical Research center

Medwin Hospitals in Hyderabad

Page 10: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

x

INDEXE

ABSTRACT AIM & OBJECTIVEABSTRACT AIM & OBJECTIVEABSTRACT AIM & OBJECTIVEABSTRACT AIM & OBJECTIVE 1111

INTRODUCTION To:INTRODUCTION To:INTRODUCTION To:INTRODUCTION To: 2 to 222 to 222 to 222 to 22

BioinformatBioinformatBioinformatBioinformaticsicsicsics 3333

LeukemiaLeukemiaLeukemiaLeukemia 3333

NCBINCBINCBINCBI 19191919

GENOMICS:GENOMICS:GENOMICS:GENOMICS: 23 to 16723 to 16723 to 16723 to 167

Gene InformationGene InformationGene InformationGene Information 24242424

Genbank FormatGenbank FormatGenbank FormatGenbank Format 26262626

Fasta Format of Nucleotide SequenceFasta Format of Nucleotide SequenceFasta Format of Nucleotide SequenceFasta Format of Nucleotide Sequence 43434343

BioBioBioBio----Edit:Edit:Edit:Edit: 47 to 10647 to 10647 to 10647 to 106

Nucleotide CompositionNucleotide CompositionNucleotide CompositionNucleotide Composition 48484848

TextTextTextText 48484848

GraphGraphGraphGraph 48484848

Plasmid CreationPlasmid CreationPlasmid CreationPlasmid Creation 49494949

RestricRestricRestricRestriction Mappingtion Mappingtion Mappingtion Mapping 49494949

NCBI Tools:NCBI Tools:NCBI Tools:NCBI Tools: 107 to 126107 to 126107 to 126107 to 126

ORF (Open Reading Frame)ORF (Open Reading Frame)ORF (Open Reading Frame)ORF (Open Reading Frame) 108108108108

Map ViewerMap ViewerMap ViewerMap Viewer 113113113113

eeee----PCR (Electronic Polymerase Chain PCR (Electronic Polymerase Chain PCR (Electronic Polymerase Chain PCR (Electronic Polymerase Chain Reaction)Reaction)Reaction)Reaction)

116116116116

VecVecVecVec----ScreenScreenScreenScreen 126126126126

Gene Predicting Tools:Gene Predicting Tools:Gene Predicting Tools:Gene Predicting Tools: 127 to 129127 to 129127 to 129127 to 129

GenscanGenscanGenscanGenscan 128128128128

GenemarkGenemarkGenemarkGenemark 128128128128

Phylogenetic AnPhylogenetic AnPhylogenetic AnPhylogenetic Analysis:alysis:alysis:alysis: 130 to 167130 to 167130 to 167130 to 167

BLASTBLASTBLASTBLAST 131131131131

FASTAFASTAFASTAFASTA 145145145145

MSA (Multiple Sequence Alignment)MSA (Multiple Sequence Alignment)MSA (Multiple Sequence Alignment)MSA (Multiple Sequence Alignment) 147147147147

ClustalWClustalWClustalWClustalW 163163163163

Phylodraw (Phylogenetic Trees)Phylodraw (Phylogenetic Trees)Phylodraw (Phylogenetic Trees)Phylodraw (Phylogenetic Trees) 164164164164

Pair Distance and Root DistancePair Distance and Root DistancePair Distance and Root DistancePair Distance and Root Distance 167167167167

PROTEOMICS:PROTEOMICS:PROTEOMICS:PROTEOMICS: 168 to 291168 to 291168 to 291168 to 291

Genpept FormatGenpept FormatGenpept FormatGenpept Format 169169169169

Fasta Format of PrFasta Format of PrFasta Format of PrFasta Format of Proteinoteinoteinotein 183183183183

BioBioBioBio----Edit:Edit:Edit:Edit: 184 to 186184 to 186184 to 186184 to 186

AminoAminoAminoAmino----Acid compositionAcid compositionAcid compositionAcid composition 185185185185

TextTextTextText 185185185185

GraphGraphGraphGraph 186186186186

Primary Structure Primary Structure Primary Structure Primary Structure Analysis:Analysis:Analysis:Analysis:

187 to 200187 to 200187 to 200187 to 200

Page 11: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

xi

ProrparamProrparamProrparamProrparam 188188188188

ProtscaleProtscaleProtscaleProtscale 190190190190

Secondary Structure Secondary Structure Secondary Structure Secondary Structure Analysis:Analysis:Analysis:Analysis:

201 to 230201 to 230201 to 230201 to 230

GORGORGORGOR 202202202202

SOPMASOPMASOPMASOPMA 203203203203

PostPostPostPost----TranslatiTranslatiTranslatiTranslational Modifications:onal Modifications:onal Modifications:onal Modifications: 205205205205

SignalPSignalPSignalPSignalP 206206206206

NetNGlyNetNGlyNetNGlyNetNGly 208208208208

NetOGlyNetOGlyNetOGlyNetOGly 212212212212

NetAcetNetAcetNetAcetNetAcet 220220220220

NetPhosNetPhosNetPhosNetPhos 221221221221

SulfinatorSulfinatorSulfinatorSulfinator 230230230230

Topology Prediction:Topology Prediction:Topology Prediction:Topology Prediction: 231 to 232231 to 232231 to 232231 to 232

SOSUISOSUISOSUISOSUI 232232232232

SPDBV Print Screens:SPDBV Print Screens:SPDBV Print Screens:SPDBV Print Screens: 233 to 239233 to 239233 to 239233 to 239

Loading of Raw SequenceLoading of Raw SequenceLoading of Raw SequenceLoading of Raw Sequence 234234234234

After LoadingAfter LoadingAfter LoadingAfter Loading TemplatesTemplatesTemplatesTemplates 234234234234

Coloring of Raw Sequence & Coloring of Raw Sequence & Coloring of Raw Sequence & Coloring of Raw Sequence & TemplatesTemplatesTemplatesTemplates

235235235235

Aligning of 1st TemplateAligning of 1st TemplateAligning of 1st TemplateAligning of 1st Template 235235235235

Aligning of 2nd TemplateAligning of 2nd TemplateAligning of 2nd TemplateAligning of 2nd Template 236236236236

Modeled Protein before Loop Modeled Protein before Loop Modeled Protein before Loop Modeled Protein before Loop BuildingBuildingBuildingBuilding

236236236236

Ramchandran Plot before Loop Ramchandran Plot before Loop Ramchandran Plot before Loop Ramchandran Plot before Loop BuildingBuildingBuildingBuilding

237237237237

Loop Building (Configuration Table)Loop Building (Configuration Table)Loop Building (Configuration Table)Loop Building (Configuration Table) 237237237237

Modeled Protein after Loop BuildingModeled Protein after Loop BuildingModeled Protein after Loop BuildingModeled Protein after Loop Building 238238238238

Ramchandran Plot after Loop Ramchandran Plot after Loop Ramchandran Plot after Loop Ramchandran Plot after Loop BuildingBuildingBuildingBuilding

238238238238

Protein with HProtein with HProtein with HProtein with H----BondsBondsBondsBonds 239239239239

Protein with Side ChainsProtein with Side ChainsProtein with Side ChainsProtein with Side Chains 239239239239

ActiveActiveActiveActive----Site Analysis:Site Analysis:Site Analysis:Site Analysis: 240 to 286240 to 286240 to 286240 to 286

Cavity MethodCavity MethodCavity MethodCavity Method 241241241241

QQQQ----Site FinderSite FinderSite FinderSite Finder 242242242242

3D Analysis:3D Analysis:3D Analysis:3D Analysis: 287 287 287 287 to 292to 292to 292to 292

RASMOL (As Many as Possible)RASMOL (As Many as Possible)RASMOL (As Many as Possible)RASMOL (As Many as Possible) 288288288288

DRUGs:DRUGs:DRUGs:DRUGs: 292 to 321292 to 321292 to 321292 to 321

Individual Docking Print ScreensIndividual Docking Print ScreensIndividual Docking Print ScreensIndividual Docking Print Screens 293293293293

Similar Molecules Print ScreensSimilar Molecules Print ScreensSimilar Molecules Print ScreensSimilar Molecules Print Screens 296296296296

Argus Lab (Surfaces):Argus Lab (Surfaces):Argus Lab (Surfaces):Argus Lab (Surfaces): 302302302302

Final MoleculeFinal MoleculeFinal MoleculeFinal Molecule 303303303303

HOMOHOMOHOMOHOMO 303303303303

LUMOLUMOLUMOLUMO 304304304304

ESP Mapped DensityESP Mapped DensityESP Mapped DensityESP Mapped Density 304304304304

HyHyHyHyperchem (QSAR Properties)perchem (QSAR Properties)perchem (QSAR Properties)perchem (QSAR Properties) 305 to 308305 to 308305 to 308305 to 308

Page 12: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

xii

Final MoleculeFinal MoleculeFinal MoleculeFinal Molecule 306306306306

Single PointSingle PointSingle PointSingle Point 306306306306

Geometry OptimizationGeometry OptimizationGeometry OptimizationGeometry Optimization 307307307307

Molecule with QSAR Properties Molecule with QSAR Properties Molecule with QSAR Properties Molecule with QSAR Properties TableTableTableTable

307307307307

QSAR Properties ValuesQSAR Properties ValuesQSAR Properties ValuesQSAR Properties Values 308308308308

Cache:Cache:Cache:Cache: 309 to 312309 to 312309 to 312309 to 312

UV visible TransitionsUV visible TransitionsUV visible TransitionsUV visible Transitions 310310310310

IR TransitionsIR TransitionsIR TransitionsIR Transitions 312312312312

Database Docking ResultsDatabase Docking ResultsDatabase Docking ResultsDatabase Docking Results 313 to 321313 to 321313 to 321313 to 321

ConclusionConclusionConclusionConclusion 322 to 323322 to 323322 to 323322 to 323

Reference Reference Reference Reference 324 to 325324 to 325324 to 325324 to 325

Page 13: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

1

AAAABSTRACBSTRACBSTRACBSTRACTTTT

Molecular Targeting against leukemiaMolecular Targeting against leukemiaMolecular Targeting against leukemiaMolecular Targeting against leukemia

Chromic myelogenus leukemia (CML) is characterized by the Philadelphia (Ph) chromosome

and bcr/abl gene rearrangement which occurs in pluripotent hematopoietic progenitor cells

expressing the c-kit receptor tyrosine kinase (KIT). Alternative splicing is a crucial

mechanism for generating protein diversity. Different splice variants of a given protein can

display different and even antagonistic biological functions. Therefore, appropriate control

of their synthesis is required to assure the complex orchestration of cellular processes within

multicellular organisms. One of the most exciting developments in cancer research in recent

years has been the clinical validation of molecularly targeted drugs that inhibit the action fo

pathogenic tyrosine kinases. The clinical validation of these “first-generation” tyrosine

kinase inhibitors has been the prelude to a second wave of advances in molecular targeting

that is expected to further change the way we classify and treat cancer. Efforts are now being

directed at identifying the tumor subtypes and patients who will benefit the most from the

drugs. Agents directed against new molecular targets are also being explored.

AIMAIMAIMAIM

Homology modeling of tyrosine kinase

Screening of compound library for tyrosine kinase inhibitors

Page 14: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

2

Page 15: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

3

Bioinformatics is the application of information technology and computer science to the

field of molecular biology. The term bioinformatics was coined by Paulien Hogeweg in

1979 for the study of informatic processes in biotic systems. Its primary use since at least the

late 1980s has been in genomics and genetics, particularly in those areas of genomics

involving large-scale DNA sequencing. Bioinformatics now entails the creation and

advancement of databases, algorithms, computational and statistical techniques, and theory

to solve formal and practical problems arising from the management and analysis of

biological data. Over the past few decades rapid developments in genomic and other

molecular research technologies and developments in information technologies have

combined to produce a tremendous amount of information related to molecular biology. It is

the name given to these mathematical and computing approaches used to glean

understanding of biological processes. Common activities in bioinformatics include mapping

and analyzing DNA and protein sequences, aligning different DNA and protein sequences to

compare them and creating and viewing 3-D models of protein structures.

The primary goal of bioinformatics is to increase our understanding of biological processes.

What sets it apart from other approaches, however, is its focus on developing and applying

computationally intensive techniques (e.g., pattern recognition, data mining, machine

learning algorithms, and visualization) to achieve this goal. Major research efforts in the

field include sequence alignment, gene finding, genome assembly, protein structure

alignment, protein structure prediction, prediction of gene expression and protein-protein

interactions, genome-wide association studies and the modeling of evolution (kumar, 2002).

LeukemiaLeukemiaLeukemiaLeukemia

Cancer (medical term: malignant neoplasm) is a class of diseases in which a group of cells

display uncontrolled growth (division beyond the normal limits), invasion (intrusion on and

destruction of adjacent tissues), and sometimes metastasis (spread to other locations in the

body via lymph or blood). These three malignant properties of cancers differentiate them

from benign tumors, which are self-limited, and do not invade or metastasize. Most cancers

form a tumor but some, like leukemia, do not. The branch of medicine concerned with the

study, diagnosis, treatment, and prevention of cancer is oncology

Leukemia (British/Canadian English: leukaemia) (Greek leukos λευκός, "white"; aima αίμα,

"blood") is a cancer of the blood or bone marrow and is characterized by an abnormal

proliferation (production by multiplication) of blood cells, usually white blood cells

(leukocytes). Leukemia is a broad term covering a spectrum of diseases. In turn, it is part of

the even broader group of diseases called hematological neoplasms.

Page 16: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

4

CLASSIFICATION OF LEUKEMIA:-Leukemia is clinically and pathologically subdivided into

a variety of large groups. The first division is between its acute and chronic forms:

• Acute leukemia is characterized by the rapid increase of immature blood cells. This

crowding makes the bone marrow unable to produce healthy blood cells. Immediate

treatment is required in acute leukemia due to the rapid progression and accumulation of the

malignant cells, which then spill over into the bloodstream and spread to other organs of the

body. Acute forms of leukemia are the most common forms of leukemia in children.

• Chronic leukemia is distinguished by the excessive build up of relatively mature, but still

abnormal, white blood cells. Typically taking months or years to progress, the cells are

produced at a much higher rate than normal cells, resulting in many abnormal white blood

cells in the blood. Whereas acute leukemia must be treated immediately, chronic forms are

sometimes monitored for some time before treatment to ensure maximum effectiveness of

therapy. Chronic leukemia mostly occurs in older people, but can theoretically occur in any

age group.

Four major kinds of leukemia

Cell type Acute Chronic

Lymphocytic

leukemia

(or "lymphoblastic")

Acute lymphoblastic

leukemia (ALL)

Chronic lymphocytic

leukemia (CLL)

Myelogenous

leukemia

(also "myeloid" or

"nonlymphocytic")

Acute myelogenous

leukemia (AML)

Chronic myelogenous

leukemia (CML)

As a part of our project we will work on Chronic myelogenous leukemia (CML). Chronic

myelogenous (or myeloid) leukemia (CML), also known as chronic granulocytic

leukemia (CGL), is a cancer of the white blood cells. It is a form of leukemia characterized

by the increased and unregulated growth of predominantly myeloid cells in the bone marrow

and the accumulation of these cells in the blood. CML is a clonal bone marrow stem cell

disorder in which proliferation of mature granulocytes (neutrophils, eosinophils, and

basophils) and their precursors is the main finding. It is a type of myeloproliferative disease

associated with a characteristic chromosomal translocation called the Philadelphia

chromosome. It is now treated with imatinib and other targeted therapies, which have

dramatically improved survival.

Page 17: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

5

GENE Responsible for Chronic myelogenous leukemiaGENE Responsible for Chronic myelogenous leukemiaGENE Responsible for Chronic myelogenous leukemiaGENE Responsible for Chronic myelogenous leukemia ((((NCBI, 2009)NCBI, 2009)NCBI, 2009)NCBI, 2009)::::----

1 Official Symbol BCR and Name: breakpoint cluster region [Homo sapiens]

Other Aliases: ALL, BCR1, CML, D22S11, D22S662, FLJ16453, PHL

Chromosome: 22; Location: 22q11.23

Annotation: Chromosome 22, NC_000022.10 (23522552..23660224)

MIM: 151410

GeneID: 613

2 Official Symbol ABL1 and Name: c-abl oncogene 1, receptor tyrosine kinase [Homo

sapiens]

Other Aliases: RP11-83J21.1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl

Other Designations: bcr/c-abl oncogene protein; proto-oncogene tyrosine-protein kinase

ABL1; v-abl Abelson murine leukemia viral oncogene homolog 1

Chromosome: 9; Location: 9q34.1

Annotation: Chromosome 9, NC_000009.11 (133589268..133763062)

MIM: 189980

GeneID: 25

A reciprocal translocation between chromosomes 22 and 9 produces the Philadelphia

chromosome, which is often found in patients with chronic myelogenous leukemia. The

chromosome 22 breakpoint for this translocation is located within the BCR gene. The

translocation produces a fusion protein which is encoded by sequence from both BCR and

ABL, the gene at the chromosome 9 breakpoint. Although the BCR-ABL fusion protein has

been extensively studied, the function of the normal BCR gene product is not clear. The

protein has serine/threonine kinase activity and is a GTPase-activating protein for p21rac.

Two transcript variants encoding different isoforms have been found for this gene

Page 18: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

6

Page 19: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

7

Protein involved in causing disease:-

1. chronic myelogenous leukemia tumor antigen 66 short form [Homo sapiens]

554 aa protein

AAM69373.1 GI:21634465

2. chronic myelogenous leukemia tumor antigen 66 [Homo sapiens]

583 aa protein

AAK73017.1 GI:14718862

3. chronic myelogenous leukemia tumor antigen 28 [Homo sapiens]

268 aa protein

AAM75154.1 GI:21693160

4. abl gene

285 aa protein

1107272B GI:224526

5. abl gene

164 aa protein

1107272A GI:224525

Biochemical pathway of Tyrosine kinase:-

A tyrosine kinase is an enzyme that can transfer a phosphate group from ATP to a tyrosine

residue in a protein. Tyrosine kinases are a subgroup of the larger class of protein kinases.

Phosphorylation of proteins by kinases is an important mechanism in signal transduction for

regulation of enzyme activity.

Most tyrosine kinases have an associated protein tyrosine phosphatase.

Protein kinases are a group of enzymes that possess a catalytic subunit which transfers the

gamma phosphate from nucleotide triphosphates (often ATP) to one or more amino acid

residues in a protein substrate side chain, resulting in a conformational change affecting

protein function. The enzymes fall into two broad classes, characterised with respect to

substrate specificity: serine/threonine specific and tyrosine specific

Approximately 2000 kinases are known, and more than 90 Protein Tyrosine Kinases (PTKs)

have been found in the human genome. They are divided into two classes, receptor and non-

receptor PTKs. At present, 58 receptor tyrosine kinases (RTKs) are known, grouped into 20

subfamilies. They play pivotal roles in diverse cellular activities including growth,

Page 20: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

8

differentiation, metabolism, adhesion, motility, death. RTKs are composed of an

extracellular domain, which is able to bind a specific ligand, a transmembrane domain, and

an intracellular catalytic domain, which is able to bind and phosphorylate selected

substrates. Binding of a ligand to the extracellular region causes a series of structural

rearrangements in the RTK that lead to its enzymatic activation. In particular, movement of

some parts of the kinase domain gives free access to adenosine triphosphate (ATP) and the

substrate to the active site. This triggers a cascade of events through phosphorylation of

intracellular proteins that ultimately transmit ("transduce") the extracellular signal to the

nucleus, causing changes in gene expression. Many RTKs are involved in oncogenesis,

either by gene mutation, or chromosome translocation, or simply by over-expression. In

every case, the result is a hyper-active kinase, that confers an aberrant, ligand-independent,

non-regulated growth stimulus to the cancer cells.

Page 21: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

9

Page 22: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

10

GENE INFORMATIONGENE INFORMATIONGENE INFORMATIONGENE INFORMATION (NCBI, 2009)(NCBI, 2009)(NCBI, 2009)(NCBI, 2009)

1: KIT v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog [ Homo sapiens ]

GeneID: 3815 updated 17-Dec-2009

Official Symbol KIT

Official Full Name v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog

Other Aliases: C-Kit, CD117, PBT, SCFR

Primary Source Ensembl:ENSG00000157404; HPRD:01287; MIM:164920

Gene type protein coding

Organism Homo sapiens

Other Designations: mast/stem cell growth factor receptor; proto-oncogene tyrosine-protein kinase Kit; soluble KIT variant 1

Chromosome: 4; Location: 4q11-q12

Annotation: Chromosome 4, NC_000004.11 (55524095..55606881)

MIM: 164920

GeneID: 3815

Lineage Eukaryota; Metazoa; Chordata; Craniata; Vertebrata;

Euteleostomi; Mammalia; Eutheria; Euarchontoglires; Primates;

Haplorrhini; Catarrhini; Hominidae; Homo

Also known as PBT; SCFR; C-Kit; CD117; KIT

Summary This gene encodes the human homolog of the proto-oncogene c-kit. C-kit

was first identified as the cellular homolog of the feline sarcoma viral oncogene v-kit. This

protein is a type 3 transmembrane receptor for MGF (mast cell growth factor, also known as

stem cell factor). Mutations in this gene are associated with gastrointestinal stromal tumors,

mast cell disease, acute myelogenous lukemia, and piebaldism. Multiple transcript variants

encoding different isoforms have been found for this gene. [provided by RefSeq]

Page 23: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

11

Page 24: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

12

GENBANK FORMAT

NCBI Reference Sequence: NM_000222.2

Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog (KIT), transcript variant 1, mRNA

• Comment

• Features

• Sequence

LOCUS NM_000222 5190 bp mRNA linear PRI 13-DEC-

2009

DEFINITION Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene

homolog (KIT), transcript variant 1, mRNA.

ACCESSION NM_000222

VERSION NM_000222.2 GI:148005048

KEYWORDS .

SOURCE Homo sapiens (human)

ORGANISM Homo sapiens

Eukaryota; Metazoa; Chordata; Craniata; Vertebrata;

Euteleostomi;

Mammalia; Eutheria; Euarchontoglires; Primates; Haplorrhini;

Catarrhini; Hominidae; Homo.

REFERENCE 1 (bases 1 to 5190)

AUTHORS Ganesh,S.K., Zakai,N.A., van Rooij,F.J., Soranzo,N.,

Smith,A.V.,

Nalls,M.A., Chen,M.H., Kottgen,A., Glazer,N.L., Dehghan,A.,

Kuhnel,B., Aspelund,T., Yang,Q., Tanaka,T., Jaffe,A., Bis,J.C.,

Verwoert,G.C., Teumer,A., Fox,C.S., Guralnik,J.M., Ehret,G.B.,

Rice,K., Felix,J.F., Rendon,A., Eiriksdottir,G., Levy,D.,

Page 25: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

13

Patel,K.V., Boerwinkle,E., Rotter,J.I., Hofman,A.,

Sambrook,J.G.,

Hernandez,D.G., Zheng,G., Bandinelli,S., Singleton,A.B.,

Coresh,J.,

Lumley,T., Uitterlinden,A.G., Vangils,J.M., Launer,L.J.,

Cupples,L.A., Oostra,B.A., Zwaginga,J.J., Ouwehand,W.H.,

Thein,S.L., Meisinger,C., Deloukas,P., Nauck,M., Spector,T.D.,

Gieger,C., Gudnason,V., van Duijn,C.M., Psaty,B.M.,

Ferrucci,L.,

Chakravarti,A., Greinacher,A., O'Donnell,C.J., Witteman,J.C.,

Furth,S., Cushman,M., Harris,T.B. and Lin,J.P.

TITLE Multiple loci influence erythrocyte phenotypes in the CHARGE

Consortium

JOURNAL Nat. Genet. 41 (11), 1191-1198 (2009)

PUBMED 19862010

REFERENCE 2 (bases 1 to 5190)

AUTHORS Bodemer,C., Hermine,O., Palmerini,F., Yang,Y., Grandpeix-

Guyodo,C.,

Leventhal,P.S., Hadj-Rabia,S., Nasca,L., Georgin-Lavialle,S.,

Cohen-Akenine,A., Launay,J.M., Barete,S., Feger,F., Arock,M.,

Catteau,B., Sans,B., Stalder,J.F., Skowron,F., Thomas,L.,

Lorette,G., Plantin,P., Bordigoni,P., Lortholary,O.,

Prost,Y.D.,

Moussy,A., Sobol,H. and Dubreuil,P.

TITLE Pediatric Mastocytosis Is a Clonal Disease Associated with

D(816)V

and Other Activating c-KIT Mutations

JOURNAL J. Invest. Dermatol. (2009) In press

PUBMED 19865100

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

Page 26: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

14

Publication Status: Available-Online prior to print

REFERENCE 3 (bases 1 to 5190)

AUTHORS Akagi,T., Shih,L.Y., Ogawa,S., Gerss,J., Moore,S.R.,

Schreck,R.,

Kawamata,N., Liang,D.C., Sanada,M., Nannya,Y., Deneberg,S.,

Zachariadis,V., Nordgren,A., Song,J.H., Dugas,M., Lehmann,S.

and

Koeffler,H.P.

TITLE Single nucleotide polymorphism genomic arrays analysis of

t(8;21)

acute myeloid leukemia cells

JOURNAL Haematologica 94 (9), 1301-1306 (2009)

PUBMED 19734423

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

REFERENCE 4 (bases 1 to 5190)

AUTHORS Kwon,J.E., Kang,H.J., Kim,S.H., Lee,Y.C., Hyung,W.J., Noh,S.H.,

Kim,N.K. and Kim,H.

TITLE Pathological characteristics of gastrointestinal stromal

tumours

with PDGFRA mutations

JOURNAL Pathology 41 (6), 544-554 (2009)

PUBMED 19900103

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

REFERENCE 5 (bases 1 to 5190)

AUTHORS Stec,R., Grala,B., Maczewski,M., Bodnar,L. and Szczylik,C.

TITLE Chromophobe renal cell cancer--review of the literature and

potential methods of treating metastatic disease

JOURNAL J. Exp. Clin. Cancer Res. 28, 134 (2009)

Page 27: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

15

PUBMED 19811659

REMARK GeneRIF: Overexpression of CD117 on cellular membranes of

chromophobe renal cell carcinoma could be a potential target

for

kinase inhibitors

Publication Status: Online-Only

REFERENCE 6 (bases 1 to 5190)

AUTHORS Spritz,R.A., Droetto,S. and Fukushima,Y.

TITLE Deletion of the KIT and PDGFRA genes in a patient with

piebaldism

JOURNAL Am. J. Med. Genet. 44 (4), 492-495 (1992)

PUBMED 1279971

REFERENCE 7 (bases 1 to 5190)

AUTHORS Giebel,L.B., Strunk,K.M., Holmes,S.A. and Spritz,R.A.

TITLE Organization and nucleotide sequence of the human KIT

(mast/stem

cell growth factor receptor) proto-oncogene

JOURNAL Oncogene 7 (11), 2207-2217 (1992)

PUBMED 1279499

REFERENCE 8 (bases 1 to 5190)

AUTHORS Andre,C., Martin,E., Cornu,F., Hu,W.X., Wang,X.P. and

Galibert,F.

TITLE Genomic organization of the human c-kit gene: evolution of the

receptor tyrosine kinase subclass III

JOURNAL Oncogene 7 (4), 685-691 (1992)

PUBMED 1373482

REFERENCE 9 (bases 1 to 5190)

AUTHORS Duronio,V., Welham,M.J., Abraham,S., Dryden,P. and

Schrader,J.W.

TITLE p21ras activation via hemopoietin receptors and c-kit requires

Page 28: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

16

tyrosine kinase activity but not tyrosine phosphorylation of

p21ras

GTPase-activating protein

JOURNAL Proc. Natl. Acad. Sci. U.S.A. 89 (5), 1587-1591 (1992)

PUBMED 1371879

REFERENCE 10 (bases 1 to 5190)

AUTHORS Spritz,R.A., Giebel,L.B. and Holmes,S.A.

TITLE Dominant negative and loss of function mutations of the c-kit

(mast/stem cell growth factor receptor) proto-oncogene in human

piebaldism

JOURNAL Am. J. Hum. Genet. 50 (2), 261-269 (1992)

PUBMED 1370874

COMMENT REVIEWED REFSEQ: This record has been curated by NCBI staff.

The

reference sequence was derived from DC376760.1, X06182.1 and

BC071593.1.

On May 22, 2007 this sequence version replaced gi:4557694.

Summary: This gene encodes the human homolog of the proto-

oncogene

c-kit. C-kit was first identified as the cellular homolog of

the

feline sarcoma viral oncogene v-kit. This protein is a type 3

transmembrane receptor for MGF (mast cell growth factor, also

known

as stem cell factor). Mutations in this gene are associated

with

gastrointestinal stromal tumors, mast cell disease, acute

myelogenous lukemia, and piebaldism. Multiple transcript

variants

encoding different isoforms have been found for this gene.

Page 29: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

17

[provided by RefSeq].

Transcript Variant: This variant (1) represents the longer

transcript and encodes the longer isoform (1).

Publication Note: This RefSeq record includes a subset of the

publications that are available for this gene. Please see the

Entrez Gene record to access additional publications.

COMPLETENESS: full length.

PRIMARY REFSEQ_SPAN PRIMARY_IDENTIFIER PRIMARY_SPAN COMP

1-66 DC376760.1 1-66

67-4869 X06182.1 1-4803

4870-5190 BC071593.1 4859-5179

FEATURES Location/Qualifiers

source 1..5190

/organism="Homo sapiens"

/mol_type="mRNA"

/db_xref="taxon:9606"

/chromosome="4"

/map="4q11-q12"

gene 1..5190

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/note="v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog"

/db_xref="GeneID:3815"

/db_xref="HGNC:6342"

/db_xref="HPRD:01287"

Page 30: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

18

/db_xref="MIM:164920"

exon 1..154

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=1

misc_feature 1

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/note="5'-most transcription initiation site"

misc_feature 26

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/note="major transcription initiation site"

misc_feature 30

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/note="major transcription initiation site"

CDS 88..3018

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/EC_number="2.7.10.1"

/note="isoform 1 precursor is encoded by transcript

variant 1; mast/stem cell growth factor receptor;

proto-oncogene tyrosine-protein kinase Kit; soluble

KIT

variant 1"

/codon_start=1

/product="v-kit Hardy-Zuckerman 4 feline sarcoma viral

Page 31: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

19

oncogene homolog isoform 1 precursor"

/protein_id="NP_000213.1"

/db_xref="GI:4557695"

/db_xref="CCDS:CCDS3496.1"

/db_xref="GeneID:3815"

/db_xref="HGNC:6342"

/db_xref="HPRD:01287"

/db_xref="MIM:164920"

/translation="MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKS

DLIVRVGDEIRLLCTDPGFVKWTFEILDETNENKQNEWITEKAEATNTGKYTCTNKHG

LSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKPLPKDL

RFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKAVPVVSVSK

ASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLT

ISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLI

VEYEAFPKPEHQQWIYMNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTF

LVSNSDVNAAIAFNVYVNTKPEILTYDRLVNGMLQCVAAGFPEPTIDWYFCPGTEQRC

SASVLPVDVQTLNSSGPPFGKLVVQSSIDSSAFKHNGTVECKAYNDVGKTSAYFNFAF

KGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEVQWKVVEEINGN

NYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKM

LKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFL

RRKRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRR

Page 32: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

20

SVRIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNI

LLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYG

IFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKR

PTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPLLV

HDDV"

exon 155..424

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=2

exon 425..706

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=3

STS 561..685

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="STS-N21003"

/db_xref="UniSTS:21855"

exon 707..843

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=4

exon 844..1012

Page 33: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

21

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=5

exon 1013..1202

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=6

exon 1203..1318

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=7

exon 1319..1433

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=8

exon 1434..1627

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=9b

exon 1628..1734

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

Page 34: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

22

/number=10

exon 1735..1861

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=11

exon 1862..1966

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=12

exon 1967..2077

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=13

exon 2078..2228

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=14

exon 2229..2320

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=15

exon 2321..2448

/gene="KIT"

Page 35: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

23

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=16

exon 2449..2571

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=17

exon 2572..2683

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=18

exon 2684..2783

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=19

exon 2784..2889

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=20

exon 2890..5176

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/inference="alignment:Splign"

/number=21

Page 36: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

24

STS 2999..3294

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="GDB:512789"

/db_xref="UniSTS:157531"

STS 3014..3989

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="GDB:181531"

/db_xref="UniSTS:155257"

STS 3090..3288

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="SHGC4-128"

/db_xref="UniSTS:79238"

STS 3756..4087

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="SHGC-12679"

/db_xref="UniSTS:62849"

STS 4234..4555

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="SHGC-50170"

/db_xref="UniSTS:72370"

STS 4328..4557

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

Page 37: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

25

/standard_name="G15879"

/db_xref="UniSTS:79825"

STS 5000..5107

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/standard_name="SHGC-67781"

/db_xref="UniSTS:853"

polyA_signal 5152..5157

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

polyA_site 5176

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

ORIGIN

1 tctgggggct cggctttgcc gcgctcgctg cacttgggcg agagctggaa cgtggaccag

61 agctcggatc ccatcgcagc taccgcgatg agaggcgctc gcggcgcctg ggattttctc

121 tgcgttctgc tcctactgct tcgcgtccag acaggctctt ctcaaccatc tgtgagtcca

181 ggggaaccgt ctccaccatc catccatcca ggaaaatcag acttaatagt ccgcgtgggc

241 gacgagatta ggctgttatg cactgatccg ggctttgtca aatggacttt tgagatcctg

301 gatgaaacga atgagaataa gcagaatgaa tggatcacgg aaaaggcaga agccaccaac

361 accggcaaat acacgtgcac caacaaacac ggcttaagca attccattta tgtgtttgtt

421 agagatcctg ccaagctttt ccttgttgac cgctccttgt atgggaaaga agacaacgac

481 acgctggtcc gctgtcctct cacagaccca gaagtgacca attattccct caaggggtgc

541 caggggaagc ctcttcccaa ggacttgagg tttattcctg accccaaggc gggcatcatg

601 atcaaaagtg tgaaacgcgc ctaccatcgg ctctgtctgc attgttctgt ggaccaggag

661 ggcaagtcag tgctgtcgga aaaattcatc ctgaaagtga ggccagcctt caaagctgtg

721 cctgttgtgt ctgtgtccaa agcaagctat cttcttaggg aaggggaaga attcacagtg

781 acgtgcacaa taaaagatgt gtctagttct gtgtactcaa cgtggaaaag agaaaacagt

Page 38: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

26

841 cagactaaac tacaggagaa atataatagc tggcatcacg gtgacttcaa ttatgaacgt

901 caggcaacgt tgactatcag ttcagcgaga gttaatgatt ctggagtgtt catgtgttat

961 gccaataata cttttggatc agcaaatgtc acaacaacct tggaagtagt agataaagga

1021 ttcattaata tcttccccat gataaacact acagtatttg taaacgatgg agaaaatgta

1081 gatttgattg ttgaatatga agcattcccc aaacctgaac accagcagtg gatctatatg

1141 aacagaacct tcactgataa atgggaagat tatcccaagt ctgagaatga aagtaatatc

1201 agatacgtaa gtgaacttca tctaacgaga ttaaaaggca ccgaaggagg cacttacaca

1261 ttcctagtgt ccaattctga cgtcaatgct gccatagcat ttaatgttta tgtgaataca

1321 aaaccagaaa tcctgactta cgacaggctc gtgaatggca tgctccaatg tgtggcagca

1381 ggattcccag agcccacaat agattggtat ttttgtccag gaactgagca gagatgctct

1441 gcttctgtac tgccagtgga tgtgcagaca ctaaactcat ctgggccacc gtttggaaag

1501 ctagtggttc agagttctat agattctagt gcattcaagc acaatggcac ggttgaatgt

1561 aaggcttaca acgatgtggg caagacttct gcctatttta actttgcatt taaaggtaac

1621 aacaaagagc aaatccatcc ccacaccctg ttcactcctt tgctgattgg tttcgtaatc

1681 gtagctggca tgatgtgcat tattgtgatg attctgacct acaaatattt acagaaaccc

1741 atgtatgaag tacagtggaa ggttgttgag gagataaatg gaaacaatta tgtttacata

1801 gacccaacac aacttcctta tgatcacaaa tgggagtttc ccagaaacag gctgagtttt

1861 gggaaaaccc tgggtgctgg agctttcggg aaggttgttg aggcaactgc ttatggctta

1921 attaagtcag atgcggccat gactgtcgct gtaaagatgc tcaagccgag tgcccatttg

1981 acagaacggg aagccctcat gtctgaactc aaagtcctga gttaccttgg taatcacatg

2041 aatattgtga atctacttgg agcctgcacc attggagggc ccaccctggt cattacagaa

2101 tattgttgct atggtgatct tttgaatttt ttgagaagaa aacgtgattc atttatttgt

2161 tcaaagcagg aagatcatgc agaagctgca ctttataaga atcttctgca ttcaaaggag

2221 tcttcctgca gcgatagtac taatgagtac atggacatga aacctggagt ttcttatgtt

2281 gtcccaacca aggccgacaa aaggagatct gtgagaatag gctcatacat agaaagagat

2341 gtgactcccg ccatcatgga ggatgacgag ttggccctag acttagaaga cttgctgagc

2401 ttttcttacc aggtggcaaa gggcatggct ttcctcgcct ccaagaattg tattcacaga

2461 gacttggcag ccagaaatat cctccttact catggtcgga tcacaaagat ttgtgatttt

Page 39: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

27

2521 ggtctagcca gagacatcaa gaatgattct aattatgtgg ttaaaggaaa cgctcgacta

2581 cctgtgaagt ggatggcacc tgaaagcatt ttcaactgtg tatacacgtt tgaaagtgac

2641 gtctggtcct atgggatttt tctttgggag ctgttctctt taggaagcag cccctatcct

2701 ggaatgccgg tcgattctaa gttctacaag atgatcaagg aaggcttccg gatgctcagc

2761 cctgaacacg cacctgctga aatgtatgac ataatgaaga cttgctggga tgcagatccc

2821 ctaaaaagac caacattcaa gcaaattgtt cagctaattg agaagcagat ttcagagagc

2881 accaatcata tttactccaa cttagcaaac tgcagcccca accgacagaa gcccgtggta

2941 gaccattctg tgcggatcaa ttctgtcggc agcaccgctt cctcctccca gcctctgctt

3001 gtgcacgacg atgtctgagc agaatcagtg tttgggtcac ccctccagga atgatctctt

3061 cttttggctt ccatgatggt tattttcttt tctttcaact tgcatccaac tccaggatag

3121 tgggcacccc actgcaatcc tgtctttctg agcacacttt agtggccgat gatttttgtc

3181 atcagccacc atcctattgc aaaggttcca actgtatata ttcccaatag caacgtagct

3241 tctaccatga acagaaaaca ttctgatttg gaaaaagaga gggaggtatg gactgggggc

3301 cagagtcctt tccaaggctt ctccaattct gcccaaaaat atggttgata gtttacctga

3361 ataaatggta gtaatcacag ttggccttca gaaccatcca tagtagtatg atgatacaag

3421 attagaagct gaaaacctaa gtcctttatg tggaaaacag aacatcatta gaacaaagga

3481 cagagtatga acacctgggc ttaagaaatc tagtatttca tgctgggaat gagacatagg

3541 ccatgaaaaa aatgatcccc aagtgtgaac aaaagatgct cttctgtgga ccactgcatg

3601 agcttttata ctaccgacct ggtttttaaa tagagtttgc tattagagca ttgaattgga

3661 gagaaggcct ccctagccag cacttgtata tacgcatcta taaattgtcc gtgttcatac

3721 atttgagggg aaaacaccat aaggtttcgt ttctgtatac aaccctggca ttatgtccac

3781 tgtgtataga agtagattaa gagccatata agtttgaagg aaacagttaa taccattttt

3841 taaggaaaca atataaccac aaagcacagt ttgaacaaaa tctcctcttt tagctgatga

3901 acttattctg tagattctgt ggaacaagcc tatcagcttc agaatggcat tgtactcaat

3961 ggatttgatg ctgtttgaca aagttactga ttcactgcat ggctcccaca ggagtgggaa

4021 aacactgcca tcttagtttg gattcttatg tagcaggaaa taaagtatag gtttagcctc

4081 cttcgcaggc atgtcctgga caccgggcca gtatctatat atgtgtatgt acgtttgtat

4141 gtgtgtagac aaatatttgg aggggtattt ttgccctgag tccaagaggg tcctttagta

Page 40: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

28

4201 cctgaaaagt aacttggctt tcattattag tactgctctt gtttcttttc acatagctgt

4261 ctagagtagc ttaccagaag cttccatagt ggtgcagagg aagtggaagg catcagtccc

4321 tatgtatttg cagttcacct gcacttaagg cactctgtta tttagactca tcttactgta

4381 cctgttcctt agaccttcca taatgctact gtctcactga aacatttaaa ttttaccctt

4441 tagactgtag cctggatatt attcttgtag tttacctctt taaaaacaaa acaaaacaaa

4501 acaaaaaact ccccttcctc actgcccaat ataaaaggca aatgtgtaca tggcagagtt

4561 tgtgtgttgt cttgaaagat tcaggtatgt tgcctttatg gtttccccct tctacatttc

4621 ttagactaca tttagagaac tgtggccgtt atctggaagt aaccatttgc actggagttc

4681 tatgctctcg cacctttcca aagttaacag attttggggt tgtgttgtca cccaagagat

4741 tgttgtttgc catactttgt ctgaaaaatt cctttgtgtt tctattgact tcaatgatag

4801 taagaaaagt ggttgttagt tatagatgtc taggtacttc aggggcactt cattgagagt

4861 tttgtcttgg atattcttga aagtttatat ttttataatt ttttcttaca tcagatgttt

4921 ctttgcagtg gcttaatgtt tgaaattatt ttgtggcttt ttttgtaaat attgaaatgt

4981 agcaataatg tcttttgaat attcccaagc ccatgagtcc ttgaaaatat tttttatata

5041 tacagtaact ttatgtgtaa atacataagc ggcgtaagtt taaaggatgt tggtgttcca

5101 cgtgttttat tcctgtatgt tgtccaattg ttgacagttc tgaagaattc taataaaatg

5161 tacatatata aatcaaaaaa aaaaaaaaaa

//

Page 41: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

29

Fasta Format of Nucleotide Sequence (NCBI, 2009)

>gi|148005048|ref|NM_000222.2| Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog (KIT), transcript variant 1, mRNA

TCTGGGGGCTCGGCTTTGCCGCGCTCGCTGCACTTGGGCGAGAGCTGGAACGTGGACCAGAGCTCGGATC

CCATCGCAGCTACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATTTTCTCTGCGTTCTGCTCCTACTGCT

TCGCGTCCAGACAGGCTCTTCTCAACCATCTGTGAGTCCAGGGGAACCGTCTCCACCATCCATCCATCCA

GGAAAATCAGACTTAATAGTCCGCGTGGGCGACGAGATTAGGCTGTTATGCACTGATCCGGGCTTTGTCA

AATGGACTTTTGAGATCCTGGATGAAACGAATGAGAATAAGCAGAATGAATGGATCACGGAAAAGGCAGA

AGCCACCAACACCGGCAAATACACGTGCACCAACAAACACGGCTTAAGCAATTCCATTTATGTGTTTGTT

AGAGATCCTGCCAAGCTTTTCCTTGTTGACCGCTCCTTGTATGGGAAAGAAGACAACGACACGCTGGTCC

GCTGTCCTCTCACAGACCCAGAAGTGACCAATTATTCCCTCAAGGGGTGCCAGGGGAAGCCTCTTCCCAA

GGACTTGAGGTTTATTCCTGACCCCAAGGCGGGCATCATGATCAAAAGTGTGAAACGCGCCTACCATCGG

CTCTGTCTGCATTGTTCTGTGGACCAGGAGGGCAAGTCAGTGCTGTCGGAAAAATTCATCCTGAAAGTGA

GGCCAGCCTTCAAAGCTGTGCCTGTTGTGTCTGTGTCCAAAGCAAGCTATCTTCTTAGGGAAGGGGAAGA

ATTCACAGTGACGTGCACAATAAAAGATGTGTCTAGTTCTGTGTACTCAACGTGGAAAAGAGAAAACAGT

CAGACTAAACTACAGGAGAAATATAATAGCTGGCATCACGGTGACTTCAATTATGAACGTCAGGCAACGT

TGACTATCAGTTCAGCGAGAGTTAATGATTCTGGAGTGTTCATGTGTTATGCCAATAATACTTTTGGATC

AGCAAATGTCACAACAACCTTGGAAGTAGTAGATAAAGGATTCATTAATATCTTCCCCATGATAAACACT

ACAGTATTTGTAAACGATGGAGAAAATGTAGATTTGATTGTTGAATATGAAGCATTCCCCAAACCTGAAC

ACCAGCAGTGGATCTATATGAACAGAACCTTCACTGATAAATGGGAAGATTATCCCAAGTCTGAGAATGA

AAGTAATATCAGATACGTAAGTGAACTTCATCTAACGAGATTAAAAGGCACCGAAGGAGGCACTTACACA

TTCCTAGTGTCCAATTCTGACGTCAATGCTGCCATAGCATTTAATGTTTATGTGAATACAAAACCAGAAA

TCCTGACTTACGACAGGCTCGTGAATGGCATGCTCCAATGTGTGGCAGCAGGATTCCCAGAGCCCACAAT

AGATTGGTATTTTTGTCCAGGAACTGAGCAGAGATGCTCTGCTTCTGTACTGCCAGTGGATGTGCAGACA

CTAAACTCATCTGGGCCACCGTTTGGAAAGCTAGTGGTTCAGAGTTCTATAGATTCTAGTGCATTCAAGC

ACAATGGCACGGTTGAATGTAAGGCTTACAACGATGTGGGCAAGACTTCTGCCTATTTTAACTTTGCATT

Page 42: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

30

TAAAGGTAACAACAAAGAGCAAATCCATCCCCACACCCTGTTCACTCCTTTGCTGATTGGTTTCGTAATC

GTAGCTGGCATGATGTGCATTATTGTGATGATTCTGACCTACAAATATTTACAGAAACCCATGTATGAAG

TACAGTGGAAGGTTGTTGAGGAGATAAATGGAAACAATTATGTTTACATAGACCCAACACAACTTCCTTA

TGATCACAAATGGGAGTTTCCCAGAAACAGGCTGAGTTTTGGGAAAACCCTGGGTGCTGGAGCTTTCGGG

AAGGTTGTTGAGGCAACTGCTTATGGCTTAATTAAGTCAGATGCGGCCATGACTGTCGCTGTAAAGATGC

TCAAGCCGAGTGCCCATTTGACAGAACGGGAAGCCCTCATGTCTGAACTCAAAGTCCTGAGTTACCTTGG

TAATCACATGAATATTGTGAATCTACTTGGAGCCTGCACCATTGGAGGGCCCACCCTGGTCATTACAGAA

TATTGTTGCTATGGTGATCTTTTGAATTTTTTGAGAAGAAAACGTGATTCATTTATTTGTTCAAAGCAGG

AAGATCATGCAGAAGCTGCACTTTATAAGAATCTTCTGCATTCAAAGGAGTCTTCCTGCAGCGATAGTAC

TAATGAGTACATGGACATGAAACCTGGAGTTTCTTATGTTGTCCCAACCAAGGCCGACAAAAGGAGATCT

GTGAGAATAGGCTCATACATAGAAAGAGATGTGACTCCCGCCATCATGGAGGATGACGAGTTGGCCCTAG

ACTTAGAAGACTTGCTGAGCTTTTCTTACCAGGTGGCAAAGGGCATGGCTTTCCTCGCCTCCAAGAATTG

TATTCACAGAGACTTGGCAGCCAGAAATATCCTCCTTACTCATGGTCGGATCACAAAGATTTGTGATTTT

GGTCTAGCCAGAGACATCAAGAATGATTCTAATTATGTGGTTAAAGGAAACGCTCGACTACCTGTGAAGT

GGATGGCACCTGAAAGCATTTTCAACTGTGTATACACGTTTGAAAGTGACGTCTGGTCCTATGGGATTTT

TCTTTGGGAGCTGTTCTCTTTAGGAAGCAGCCCCTATCCTGGAATGCCGGTCGATTCTAAGTTCTACAAG

ATGATCAAGGAAGGCTTCCGGATGCTCAGCCCTGAACACGCACCTGCTGAAATGTATGACATAATGAAGA

CTTGCTGGGATGCAGATCCCCTAAAAAGACCAACATTCAAGCAAATTGTTCAGCTAATTGAGAAGCAGAT

TTCAGAGAGCACCAATCATATTTACTCCAACTTAGCAAACTGCAGCCCCAACCGACAGAAGCCCGTGGTA

GACCATTCTGTGCGGATCAATTCTGTCGGCAGCACCGCTTCCTCCTCCCAGCCTCTGCTTGTGCACGACG

ATGTCTGAGCAGAATCAGTGTTTGGGTCACCCCTCCAGGAATGATCTCTTCTTTTGGCTTCCATGATGGT

TATTTTCTTTTCTTTCAACTTGCATCCAACTCCAGGATAGTGGGCACCCCACTGCAATCCTGTCTTTCTG

AGCACACTTTAGTGGCCGATGATTTTTGTCATCAGCCACCATCCTATTGCAAAGGTTCCAACTGTATATA

TTCCCAATAGCAACGTAGCTTCTACCATGAACAGAAAACATTCTGATTTGGAAAAAGAGAGGGAGGTATG

GACTGGGGGCCAGAGTCCTTTCCAAGGCTTCTCCAATTCTGCCCAAAAATATGGTTGATAGTTTACCTGA

Page 43: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

31

ATAAATGGTAGTAATCACAGTTGGCCTTCAGAACCATCCATAGTAGTATGATGATACAAGATTAGAAGCT

GAAAACCTAAGTCCTTTATGTGGAAAACAGAACATCATTAGAACAAAGGACAGAGTATGAACACCTGGGC

TTAAGAAATCTAGTATTTCATGCTGGGAATGAGACATAGGCCATGAAAAAAATGATCCCCAAGTGTGAAC

AAAAGATGCTCTTCTGTGGACCACTGCATGAGCTTTTATACTACCGACCTGGTTTTTAAATAGAGTTTGC

TATTAGAGCATTGAATTGGAGAGAAGGCCTCCCTAGCCAGCACTTGTATATACGCATCTATAAATTGTCC

GTGTTCATACATTTGAGGGGAAAACACCATAAGGTTTCGTTTCTGTATACAACCCTGGCATTATGTCCAC

TGTGTATAGAAGTAGATTAAGAGCCATATAAGTTTGAAGGAAACAGTTAATACCATTTTTTAAGGAAACA

ATATAACCACAAAGCACAGTTTGAACAAAATCTCCTCTTTTAGCTGATGAACTTATTCTGTAGATTCTGT

GGAACAAGCCTATCAGCTTCAGAATGGCATTGTACTCAATGGATTTGATGCTGTTTGACAAAGTTACTGA

TTCACTGCATGGCTCCCACAGGAGTGGGAAAACACTGCCATCTTAGTTTGGATTCTTATGTAGCAGGAAA

TAAAGTATAGGTTTAGCCTCCTTCGCAGGCATGTCCTGGACACCGGGCCAGTATCTATATATGTGTATGT

ACGTTTGTATGTGTGTAGACAAATATTTGGAGGGGTATTTTTGCCCTGAGTCCAAGAGGGTCCTTTAGTA

CCTGAAAAGTAACTTGGCTTTCATTATTAGTACTGCTCTTGTTTCTTTTCACATAGCTGTCTAGAGTAGC

TTACCAGAAGCTTCCATAGTGGTGCAGAGGAAGTGGAAGGCATCAGTCCCTATGTATTTGCAGTTCACCT

GCACTTAAGGCACTCTGTTATTTAGACTCATCTTACTGTACCTGTTCCTTAGACCTTCCATAATGCTACT

GTCTCACTGAAACATTTAAATTTTACCCTTTAGACTGTAGCCTGGATATTATTCTTGTAGTTTACCTCTT

TAAAAACAAAACAAAACAAAACAAAAAACTCCCCTTCCTCACTGCCCAATATAAAAGGCAAATGTGTACA

TGGCAGAGTTTGTGTGTTGTCTTGAAAGATTCAGGTATGTTGCCTTTATGGTTTCCCCCTTCTACATTTC

TTAGACTACATTTAGAGAACTGTGGCCGTTATCTGGAAGTAACCATTTGCACTGGAGTTCTATGCTCTCG

CACCTTTCCAAAGTTAACAGATTTTGGGGTTGTGTTGTCACCCAAGAGATTGTTGTTTGCCATACTTTGT

CTGAAAAATTCCTTTGTGTTTCTATTGACTTCAATGATAGTAAGAAAAGTGGTTGTTAGTTATAGATGTC

TAGGTACTTCAGGGGCACTTCATTGAGAGTTTTGTCTTGGATATTCTTGAAAGTTTATATTTTTATAATT

TTTTCTTACATCAGATGTTTCTTTGCAGTGGCTTAATGTTTGAAATTATTTTGTGGCTTTTTTTGTAAAT

ATTGAAATGTAGCAATAATGTCTTTTGAATATTCCCAAGCCCATGAGTCCTTGAAAATATTTTTTATATA

TACAGTAACTTTATGTGTAAATACATAAGCGGCGTAAGTTTAAAGGATGTTGGTGTTCCACGTGTTTTAT

Page 44: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

32

TCCTGTATGTTGTCCAATTGTTGACAGTTCTGAAGAATTCTAATAAAATGTACATATATAAATCAAAAAA

AAAAAAAAAA

Page 45: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

33

Page 46: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

34

(Bioedit, 2009)

DNA molecule: gi|148005048|ref|NM_000222.2| Homo sapiens v-kit Hardy-Zuckerman 4

feline sarcoma viral oncogene homolog (KIT), transcript variant 1, mRNA

Length = 5190 base pairs

Molecular Weight = 1572664.00 Daltons, single stranded

Molecular Weight = 3148288.00 Daltons, double stranded

G+C content = 42.35%

A+T content = 57.65%

Nucleotide Number Mol%

A 1488 28.67

C 1067 20.56

G 1131 21.79

T 1504 28.98

Page 47: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

35

Plasmid

BioEdit version 7.0.5.2 (6/5/05) Restriction Mapping Utility

(c)1998, Tom Hall

gi|148005048|ref|NM_000222.2| Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma

viral oncogene homolog (KIT), transcript variant 1, mRNA Restriction Map

3/24/2002 12:35:08 PM

5190 base pairs

Translations: none

Restriction Enzyme Map:

Page 48: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

36

1

TCTGGGGGCTCGGCTTTGCCGCGCTCGCTGCACTTGGGCGAGAGCTGGAACGTGGACCAGAGCTCGGATCCCATCGCAGC

80

1

AGACCCCCGAGCCGAAACGGCGCGAGCGACGTGAACCCGCTCTCGACCTTGCACCTGGTCTCGAGCCTAGGGTAGCGTCG

80

BanII MwoI Hin4I Hpy8I AlwI

NlaIV Hin4I

Bsp1286I HpyF10VI Hin4I EcoICRI

AlwI

BsgI Cac8I BslI

BbvI MwoI BanII

HpyF10VI BsiHKAI

Bsp1286I

SacI

BamHI

BstYI

81

TACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATTTTCTCTGCGTTCTGCTCCTACTGCTTCGCGTCCAGACAGGCTCTT

160

81

ATGGCGCTACTCTCCGCGAGCGCCGCGGACCCTAAAAGAGACGCAAGACGAGGATGACGAAGCGCAGGTCTGTCCGAGAA

160

BplI BbvI HaeII NlaIV BplI HgaI

Hpy188III

MwoI Cac8I BbeI MwoI

MboII

Hin4I MwoI HaeII HpyF10VI

HpyF10VI HpyF10VI

MnlI MwoI

BanI

Page 49: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

37

KasI

HpyF10VI

BsaHI

NarI

SfoI

BsaJI

161

CTCAACCATCTGTGAGTCCAGGGGAACCGTCTCCACCATCCATCCATCCAGGAAAATCAGACTTAATAGTCCGCGTGGGC

240

161

GAGTTGGTAGACACTCAGGTCCCCTTGGCAGAGGTGGTAGGTAGGTAGGTCCTTTTAGTCTGAATTATCAGGCGCACCCG

240

SapI BsaJI NlaIV BsmBI BstF5I DrdI

EarI PleI FokI BstF5I

MlyI BsmAI

FokI BstF5I

FokI

241

GACGAGATTAGGCTGTTATGCACTGATCCGGGCTTTGTCAAATGGACTTTTGAGATCCTGGATGAAACGAATGAGAATAA

320

241

CTGCTCTAATCCGACAATACGTGACTAGGCCCGAAACAGTTTACCTGAAAACTCTAGGACCTACTTTGCTTACTCTTATT

320

AlwI TspRI AlwI BstF5I

TspDTI

BstYI

FokI

Page 50: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

38

321

GCAGAATGAATGGATCACGGAAAAGGCAGAAGCCACCAACACCGGCAAATACACGTGCACCAACAAACACGGCTTAAGCA

400

321

CGTCTTACTTACCTAGTGCCTTTTCCGTCTTCGGTGGTTGTGGCCGTTTATGTGCACGTGGTTGTTTGTGCCGAATTCGT

400

AlwI TspGWI BsrFI AflIII Bme1580I

AflII

TspDTI BsaAI

SmlI

PmlI

ApaLI

Hpy8I

BsiHKAI

Bsp1286I

401

ATTCCATTTATGTGTTTGTTAGAGATCCTGCCAAGCTTTTCCTTGTTGACCGCTCCTTGTATGGGAAAGAAGACAACGAC

480

401

TAAGGTAAATACACAAACAATCTCTAGGACGGTTCGAAAAGGAACAACTGGCGAGGAACATACCCTTTCTTCTGTTGCTG

480

BceAI AlwI HindIII HincII BslI

BbsI

MslI BstYI Hpy8I

BsrBI

481

ACGCTGGTCCGCTGTCCTCTCACAGACCCAGAAGTGACCAATTATTCCCTCAAGGGGTGCCAGGGGAAGCCTCTTCCCAA

560

Page 51: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

39

481

TGCGACCAGGCGACAGGAGAGTGTCTGGGTCTTCACTGGTTAATAAGGGAGTTCCCCACGGTCCCCTTCGGAGAAGGGTT

560

MboII MspA1I MnlI BpuEI SmlI BanI MboII

EarI

DrdI BslI BsaJI

BsaJI

MnlI

StyI

NlaIV

561

GGACTTGAGGTTTATTCCTGACCCCAAGGCGGGCATCATGATCAAAAGTGTGAAACGCGCCTACCATCGGCTCTGTCTGC

640

561

CCTGAACTCCAAATAAGGACTGGGGTTCCGCCCGTAGTACTAGTTTTCACACTTTGCGCGGATGGTAGCCGAGACAGACG

640

MnlI Hpy188III BslI BspHI BslI

MwoI

MnlI FauI BslI Hpy188III

HpyF10VI

SmlI BsaJI Cac8I BclI

StyI SfaNI

BpuEI

641

ATTGTTCTGTGGACCAGGAGGGCAAGTCAGTGCTGTCGGAAAAATTCATCCTGAAAGTGAGGCCAGCCTTCAAAGCTGTG

720

641

TAACAAGACACCTGGTCCTCCCGTTCAGTCACGACAGCCTTTTTAAGTAGGACTTTCACTCCGGTCGGAAGTTTCGACAC

720

Hin4I MmeI FokI BsaXI BstF5I Cac8I

MwoI

Page 52: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

40

BsaXI TspRI Hin4I Hpy188III

HpyF10VI

Hpy8I TspDTI MnlI

MnlI ApoI

721

CCTGTTGTGTCTGTGTCCAAAGCAAGCTATCTTCTTAGGGAAGGGGAAGAATTCACAGTGACGTGCACAATAAAAGATGT

800

721

GGACAACACAGACACAGGTTTCGTTCGATAGAAGAATCCCTTCCCCTTCTTAAGTGTCACTGCACGTGTTATTTTCTACA

800

MboII ApoI MboII Hpy8I

Cac8I EcoRI TspRI

BmgBI

ApaLI

Bme1580I

BsiHKAI

Bsp1286I

801

GTCTAGTTCTGTGTACTCAACGTGGAAAAGAGAAAACAGTCAGACTAAACTACAGGAGAAATATAATAGCTGGCATCACG

880

801

CAGATCAAGACACATGAGTTGCACCTTTTCTCTTTTGTCAGTCTGATTTGATGTCCTCTTTATATTATCGACCGTAGTGC

880

TatI SfcI

Cac8I MslI

Hpy8I

Page 53: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

41

881

GTGACTTCAATTATGAACGTCAGGCAACGTTGACTATCAGTTCAGCGAGAGTTAATGATTCTGGAGTGTTCATGTGTTAT

960

881

CACTGAAGTTAATACTTGCAGTCCGTTGCAACTGATAGTCAAGTCGCTCTCAATTACTAAGACCTCACAAGTACACAATA

960

SfaNI HphI AclI TspDTI

TspDTI Hpy188III

HincII

Hpy8I

961

GCCAATAATACTTTTGGATCAGCAAATGTCACAACAACCTTGGAAGTAGTAGATAAAGGATTCATTAATATCTTCCCCAT

1040

961

CGGTTATTATGAAAACCTAGTCGTTTACAGTGTTGTTGGAACCTTCATCATCTATTTCCTAAGTAATTATAGAAGGGGTA

1040

BpmI AlwI BsaJI TspDTI MboII

Eco57MI StyI AseI

1041

GATAAACACTACAGTATTTGTAAACGATGGAGAAAATGTAGATTTGATTGTTGAATATGAAGCATTCCCCAAACCTGAAC

1120

1041

CTATTTGTGATGTCATAAACATTTGCTACCTCTTTTACATCTAAACTAACAACTTATACTTCGTAAGGGGTTTGGACTTG

1120

SfcI BsaXI BsaXI BsmI

TspDTI

Hpy8I

Page 54: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

42

1121

ACCAGCAGTGGATCTATATGAACAGAACCTTCACTGATAAATGGGAAGATTATCCCAAGTCTGAGAATGAAAGTAATATC

1200

1121

TGGTCGTCACCTAGATATACTTGTCTTGGAAGTGACTATTTACCCTTCTAATAGGGTTCAGACTCTTACTTTCATTATAG

1200

BstYI AlwI TspDTI BseMII

BaeI

TspRI TspRI BspCNI

BtsI MboII

1201

AGATACGTAAGTGAACTTCATCTAACGAGATTAAAAGGCACCGAAGGAGGCACTTACACATTCCTAGTGTCCAATTCTGA

1280

1201

TCTATGCATTCACTTGAAGTAGATTGCTCTAATTTTCCGTGGCTTCCTCCGTGAATGTGTAAGGATCACAGGTTAAGACT

1280

TspDTI Hpy8I BaeI BanI

BbvI

BsaAI NlaIV

SnaBI MnlI

TspDTI

1281

CGTCAATGCTGCCATAGCATTTAATGTTTATGTGAATACAAAACCAGAAATCCTGACTTACGACAGGCTCGTGAATGGCA

1360

1281

GCAGTTACGACGGTATCGTAAATTACAAATACACTTATGTTTTGGTCTTTAGGACTGAATGCTGTCCGAGCACTTACCGT

1360

BsaHI MwoI Hpy188III BssSI

ZraI HpyF10VI

Hpy188III

Page 55: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

43

AatII

1361

TGCTCCAATGTGTGGCAGCAGGATTCCCAGAGCCCACAATAGATTGGTATTTTTGTCCAGGAACTGAGCAGAGATGCTCT

1440

1361

ACGAGGTTACACACCGTCGTCCTAAGGGTCTCGGGTGTTATCTAACCATAAAAACAGGTCCTTGACTCGTCTCTACGAGA

1440

Cac8I BslI BbvI BanII BseMII AlwNI

NspI PflMI Bsp1286I BspCNI

SphI SfaNI

1441

GCTTCTGTACTGCCAGTGGATGTGCAGACACTAAACTCATCTGGGCCACCGTTTGGAAAGCTAGTGGTTCAGAGTTCTAT

1520

1441

CGAAGACATGACGGTCACCTACACGTCTGTGATTTGAGTAGACCCGGTGGCAAACCTTTCGATCACCAAGTCTCAAGATA

1520

TatI BsrI TspRI FokI BsgI BslI

SfcI

BstF5I PflMI

1521

AGATTCTAGTGCATTCAAGCACAATGGCACGGTTGAATGTAAGGCTTACAACGATGTGGGCAAGACTTCTGCCTATTTTA

1600

1521

TCTAAGATCACGTAAGTTCGTGTTACCGTGCCAACTTACATTCCGAATGTTGCTACACCCGTTCTGAAGACGGATAAAAT

1600

BsmI

Page 56: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

44

1601

ACTTTGCATTTAAAGGTAACAACAAAGAGCAAATCCATCCCCACACCCTGTTCACTCCTTTGCTGATTGGTTTCGTAATC

1680

1601

TGAAACGTAAATTTCCATTGTTGTTTCTCGTTTAGGTAGGGGTGTGGGACAAGTGAGGAAACGACTAACCAAAGCATTAG

1680

DraI FokI BstF5I Hpy8I

1681

GTAGCTGGCATGATGTGCATTATTGTGATGATTCTGACCTACAAATATTTACAGAAACCCATGTATGAAGTACAGTGGAA

1760

1681

CATCGACCGTACTACACGTAATAACACTACTAAGACTGGATGTTTATAAATGTCTTTGGGTACATACTTCATGTCACCTT

1760

Cac8I BstAPI MslI SspI

TatI TspRI

MwoI

HpyF10VI

1761

GGTTGTTGAGGAGATAAATGGAAACAATTATGTTTACATAGACCCAACACAACTTCCTTATGATCACAAATGGGAGTTTC

1840

1761

CCAACAACTCCTCTATTTACCTTTGTTAATACAAATGTATCTGGGTTGTGTTGAAGGAATACTAGTGTTTACCCTCAAAG

1840

TspDTI BseRI Hpy8I BclI

MnlI

Page 57: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

45

1841

CCAGAAACAGGCTGAGTTTTGGGAAAACCCTGGGTGCTGGAGCTTTCGGGAAGGTTGTTGAGGCAACTGCTTATGGCTTA

1920

1841

GGTCTTTGTCCGACTCAAAACCCTTTTGGGACCCACGACCTCGAAAGCCCTTCCAACAACTCCGTTGACGAATACCGAAT

1920

BseMII TaqII BsaJI Hpy188III BpmI

BspCNI BsaJI MnlI

BslI Eco57MI

1921

ATTAAGTCAGATGCGGCCATGACTGTCGCTGTAAAGATGCTCAAGCCGAGTGCCCATTTGACAGAACGGGAAGCCCTCAT

2000

1921

TAATTCAGTCTACGCCGGTACTGACAGCGACATTTCTACGAGTTCGGCTCACGGGTAAACTGTCTTGCCCTTCGGGAGTA

2000

SfaNI EaeI BpuEI SmlI Bme1580I

AloI

PacI SfaNI Bsp1286I

2001

GTCTGAACTCAAAGTCCTGAGTTACCTTGGTAATCACATGAATATTGTGAATCTACTTGGAGCCTGCACCATTGGAGGGC

2080

2001

CAGACTTGAGTTTCAGGACTCAATGGAACCATTAGTGTACTTATAACACTTAGATGAACCTCGGACGTGGTAACCTCCCG

2080

MnlI Hpy188III AloI SspI BsgI NlaIV

MnlI BslI

BseMII BsaJI TspDTI Cac8I

EcoO109I

BspCNI StyI

PspOMI

NlaIV

Page 58: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

46

2081

CCACCCTGGTCATTACAGAATATTGTTGCTATGGTGATCTTTTGAATTTTTTGAGAAGAAAACGTGATTCATTTATTTGT

2160

2081

GGTGGGACCAGTAATGTCTTATAACAACGATACCACTAGAAAACTTAAAAAACTCTTCTTTTGCACTAAGTAAATAAACA

2160

ApaI SspI ApoI TspDTI MboII

BanII HphI

Bme1580I

Bsp1286I

BsaJI

2161

TCAAAGCAGGAAGATCATGCAGAAGCTGCACTTTATAAGAATCTTCTGCATTCAAAGGAGTCTTCCTGCAGCGATAGTAC

2240

2161

AGTTTCGTCCTTCTAGTACGTCTTCGACGTGAAATATTCTTAGAAGACGTAAGTTTCCTCAGAAGGACGTCGCTATCATG

2240

BsgI MboII MboII FalI MboII PleI

TatI

BbvI BstAPI PsiI BsmI SfcI

ScaI

FalI MwoI BbsI MlyI

AlwNI PstI

HpyF10VI

Page 59: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

47

2241

TAATGAGTACATGGACATGAAACCTGGAGTTTCTTATGTTGTCCCAACCAAGGCCGACAAAAGGAGATCTGTGAGAATAG

2320

2241

ATTACTCATGTACCTGTACTTTGGACCTCAAAGAATACAACAGGGTTGGTTCCGGCTGTTTTCCTCTAGACACTCTTATC

2320

BbvI TatI MslI BsmFI BpmI BslI

TspDTI Eco57MI BglII

BsaJI BstYI

StyI

BslI

2321

GCTCATACATAGAAAGAGATGTGACTCCCGCCATCATGGAGGATGACGAGTTGGCCCTAGACTTAGAAGACTTGCTGAGC

2400

2321

CGAGTATGTATCTTTCTCTACACTGAGGGCGGTAGTACCTCCTACTGCTCAACCGGGATCTGAATCTTCTGAACGACTCG

2400

MlyI MnlI BstF5I BseMII

BlpI

PleI FauI FokI

BspCNI MboII

BbsI

2401

TTTTCTTACCAGGTGGCAAAGGGCATGGCTTTCCTCGCCTCCAAGAATTGTATTCACAGAGACTTGGCAGCCAGAAATAT

2480

2401

AAAAGAATGGTCCACCGTTTCCCGTACCGAAAGGAGCGGAGGTTCTTAACATAAGTGTCTCTGAACCGTCGGTCTTTATA

2480

SexAI MwoI MnlI BsmAI

MmeI

Page 60: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

48

HpyF10VI MnlI

BbvI

2481

CCTCCTTACTCATGGTCGGATCACAAAGATTTGTGATTTTGGTCTAGCCAGAGACATCAAGAATGATTCTAATTATGTGG

2560

2481

GGAGGAATGAGTACCAGCCTAGTGTTTCTAAACACTAAAACCAGATCGGTCTCTGTAGTTCTTACTAAGATTAATACACC

2560

MnlI AlwI BsmAI Hpy188III

2561

TTAAAGGAAACGCTCGACTACCTGTGAAGTGGATGGCACCTGAAAGCATTTTCAACTGTGTATACACGTTTGAAAGTGAC

2640

2561

AATTTCCTTTGCGAGCTGATGGACACTTCACCTACCGTGGACTTTCGTAAAAGTTGACACATATGTGCAAACTTTCACTG

2640

BanI FokI AccI

Hin4I BsaHI

BstF5I BstZ17I

NlaIV Hpy8I

Hin4I

AflIII

2641

GTCTGGTCCTATGGGATTTTTCTTTGGGAGCTGTTCTCTTTAGGAAGCAGCCCCTATCCTGGAATGCCGGTCGATTCTAA

2720

2641

CAGACCAGGATACCCTAAAAAGAAACCCTCGACAAGAGAAATCCTTCGTCGGGGATAGGACCTTACGGCCAGCTAAGATT

2720

ZraI BplI BplI BslI BsrFI

Page 61: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

49

AatII Hin4I BbvI BsmI

AhdI Hin4I

BsiEI

2721

GTTCTACAAGATGATCAAGGAAGGCTTCCGGATGCTCAGCCCTGAACACGCACCTGCTGAAATGTATGACATAATGAAGA

2800

2721

CAAGATGTTCTACTAGTTCCTTCCGAAGGCCTACGAGTCGGGACTTGTGCGTGGACGACTTTACATACTGTATTACTTCT

2800

FalI SfaNI Hpy188III FalI BspCNI AarI

SfaNI

BclI BsaWI BlpI FokI BseMII BspMI

BspEI BstF5I

2801

CTTGCTGGGATGCAGATCCCCTAAAAAGACCAACATTCAAGCAAATTGTTCAGCTAATTGAGAAGCAGATTTCAGAGAGC

2880

2801

GAACGACCCTACGTCTAGGGGATTTTTCTGGTTGTAAGTTCGTTTAACAAGTCGATTAACTCTTCGTCTAAAGTCTCTCG

2880

BbsI TspDTI FokI Hin4I

BseYI BsaBI

MboII

AlwI

BstF5I

BstYI

Page 62: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

50

2881

ACCAATCATATTTACTCCAACTTAGCAAACTGCAGCCCCAACCGACAGAAGCCCGTGGTAGACCATTCTGTGCGGATCAA

2960

2881

TGGTTAGTATAAATGAGGTTGAATCGTTTGACGTCGGGGTTGGCTGTCTTCGGGCACCATCTGGTAAGACACGCCTAGTT

2960

BsiHKAI Hin4I SfcI MmeI BsaJI Hpy8I

Bsp1286I PstI BbvI BtgI AccI

2961

TTCTGTCGGCAGCACCGCTTCCTCCTCCCAGCCTCTGCTTGTGCACGACGATGTCTGAGCAGAATCAGTGTTTGGGTCAC

3040

2961

AAGACAGCCGTCGTGGCGAAGGAGGAGGGTCGGAGACGAACACGTGCTGCTACAGACTCGTCTTAGTCACAAACCCAGTG

3040

AlwI BseRI BbvI BseYI MnlI ApaLI MslI

BpmI BstEII

MnlI MnlI Tth111I

Eco57MI

AlwNI Hpy8I HphI

Bme1580I

TspRI

BsiHKAI

Bsp1286I

BseMII

BspCNI

3041

CCCTCCAGGAATGATCTCTTCTTTTGGCTTCCATGATGGTTATTTTCTTTTCTTTCAACTTGCATCCAACTCCAGGATAG

3120

3041

GGGAGGTCCTTACTAGAGAAGAAAACCGAAGGTACTACCAATAAAAGAAAAGAAAGTTGAACGTAGGTTGAGGTCCTATC

3120

Page 63: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

51

MboII EarI FokI BpmI BstF5I

SfaNI BstXI

MnlI Eco57MI

BslI

3121

TGGGCACCCCACTGCAATCCTGTCTTTCTGAGCACACTTTAGTGGCCGATGATTTTTGTCATCAGCCACCATCCTATTGC

3200

3121

ACCCGTGGGGTGACGTTAGGACAGAAAGACTCGTGTGAAATCACCGGCTACTAAAAACAGTAGTCGGTGGTAGGATAACG

3200

BanI BtsI TspRI BsiHKAI EaeI FokI

BstF5I

NlaIV BseMII Bsp1286I

Bme1580I BspCNI AleI

Bsp1286I MslI

MmeI

3201

AAAGGTTCCAACTGTATATATTCCCAATAGCAACGTAGCTTCTACCATGAACAGAAAACATTCTGATTTGGAAAAAGAGA

3280

3201

TTTCCAAGGTTGACATATATAAGGGTTATCGTTGCATCGAAGATGGTACTTGTCTTTTGTAAGACTAAACCTTTTTCTCT

3280

NlaIV MmeI XmnI

MnlI

TspDTI

MnlI

Page 64: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

52

3281

GGGAGGTATGGACTGGGGGCCAGAGTCCTTTCCAAGGCTTCTCCAATTCTGCCCAAAAATATGGTTGATAGTTTACCTGA

3360

3281

CCCTCCATACCTGACCCCCGGTCTCAGGAAAGGTTCCGAAGAGGTTAAGACGGGTTTTTATACCAACTATCAAATGGACT

3360

BsrI PleI BstXI

Hpy8I

NlaIV EcoNI

BmrI MlyI

BsaJI

StyI

BslI

3361

ATAAATGGTAGTAATCACAGTTGGCCTTCAGAACCATCCATAGTAGTATGATGATACAAGATTAGAAGCTGAAAACCTAA

3440

3361

TATTTACCATCATTAGTGTCAACCGGAAGTCTTGGTAGGTATCATCATACTACTATGTTCTAATCTTCGACTTTTGGATT

3440

Eco57I FokI BstF5I

Eco57MI

3441

GTCCTTTATGTGGAAAACAGAACATCATTAGAACAAAGGACAGAGTATGAACACCTGGGCTTAAGAAATCTAGTATTTCA

3520

3441

CAGGAAATACACCTTTTGTCTTGTAGTAATCTTGTTTCCTGTCTCATACTTGTGGACCCGAATTCTTTAGATCATAAAGT

3520

BslI BsaJI TspDTI

AflII TspDTI

SmlI

Page 65: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

53

3521

TGCTGGGAATGAGACATAGGCCATGAAAAAAATGATCCCCAAGTGTGAACAAAAGATGCTCTTCTGTGGACCACTGCATG

3600

3521

ACGACCCTTACTCTGTATCCGGTACTTTTTTTACTAGGGGTTCACACTTGTTTTCTACGAGAAGACACCTGGTGACGTAC

3600

BseYI AlwI TspDTI Hpy8I SapI

BtsI TspRI

BsmAI FalI MboII EarI

FalI

SfaNI Hpy8I

3601

AGCTTTTATACTACCGACCTGGTTTTTAAATAGAGTTTGCTATTAGAGCATTGAATTGGAGAGAAGGCCTCCCTAGCCAG

3680

3601

TCGAAAATATGATGGCTGGACCAAAAATTTATCTCAAACGATAATCTCGTAACTTAACCTCTCTTCCGGAGGGATCGGTC

3680

SexAI DraI MwoI BplI StuI

MwoI

HpyF10VI

HpyF10VI

MnlI

Cac8I

3681

CACTTGTATATACGCATCTATAAATTGTCCGTGTTCATACATTTGAGGGGAAAACACCATAAGGTTTCGTTTCTGTATAC

3760

Page 66: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

54

3681

GTGAACATATATGCGTAGATATTTAACAGGCACAAGTATGTAAACTCCCCTTTTGTGGTATTCCAAAGCAAAGACATATG

3760

BplI TspGWI MnlI

AccI

SfaNI

BstZ17I

TspDTI

Hpy8I

3761

AACCCTGGCATTATGTCCACTGTGTATAGAAGTAGATTAAGAGCCATATAAGTTTGAAGGAAACAGTTAATACCATTTTT

3840

3761

TTGGGACCGTAATACAGGTGACACATATCTTCATCTAATTCTCGGTATATTCAAACTTCCTTTGTCAATTATGGTAAAAA

3840

BsaJI Hpy8I TspRI

3841

TAAGGAAACAATATAACCACAAAGCACAGTTTGAACAAAATCTCCTCTTTTAGCTGATGAACTTATTCTGTAGATTCTGT

3920

3841

ATTCCTTTGTTATATTGGTGTTTCGTGTCAAACTTGTTTTAGAGGAGAAAATCGACTACTTGAATAAGACATCTAAGACA

3920

AloI BseRI MnlI XmnI

TspDTI

PpiI BsaXI SfcI

BsaXI AloI

PpiI

Page 67: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

55

3921

GGAACAAGCCTATCAGCTTCAGAATGGCATTGTACTCAATGGATTTGATGCTGTTTGACAAAGTTACTGATTCACTGCAT

4000

3921

CCTTGTTCGGATAGTCGAAGTCTTACCGTAACATGAGTTACCTAAACTACGACAAACTGTTTCAATGACTAAGTGACGTA

4000

Eco57I TatI SfaNI

BtsI TspRI

Eco57MI

4001

GGCTCCCACAGGAGTGGGAAAACACTGCCATCTTAGTTTGGATTCTTATGTAGCAGGAAATAAAGTATAGGTTTAGCCTC

4080

4001

CCGAGGGTGTCCTCACCCTTTTGTGACGGTAGAATCAAACCTAAGAATACATCGTCCTTTATTTCATATCCAAATCGGAG

4080

NlaIV AleI BtsI TspRI

MslI

BstXI

4081

CTTCGCAGGCATGTCCTGGACACCGGGCCAGTATCTATATATGTGTATGTACGTTTGTATGTGTGTAGACAAATATTTGG

4160

4081

GAAGCGTCCGTACAGGACCTGTGGCCCGGTCATAGATATATACACATACATGCAAACATACACACATCTGTTTATAAACC

4160

MwoI NspI BsrI AccI

MnlI

HpyF10VI Hpy8I

SspI

MnlI

Cac8I

Page 68: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

56

4161

AGGGGTATTTTTGCCCTGAGTCCAAGAGGGTCCTTTAGTACCTGAAAAGTAACTTGGCTTTCATTATTAGTACTGCTCTT

4240

4161

TCCCCATAAAAACGGGACTCAGGTTCTCCCAGGAAATCATGGACTTTTCATTGAACCGAAAGTAATAATCATGACGAGAA

4240

BseMII MnlI PleI TspDTI

TatI

BspCNI MlyI

ScaI

EcoO109I

PpuMI

NlaIV

4241

GTTTCTTTTCACATAGCTGTCTAGAGTAGCTTACCAGAAGCTTCCATAGTGGTGCAGAGGAAGTGGAAGGCATCAGTCCC

4320

4241

CAAAGAAAAGTGTATCGACAGATCTCATCGAATGGTCTTCGAAGGTATCACCACGTCTCCTTCACCTTCCGTAGTCAGGG

4320

XbaI HindIII MslI BsmFI

BsgI SfaNI

Hpy188III MnlI

PsrI

4321

TATGTATTTGCAGTTCACCTGCACTTAAGGCACTCTGTTATTTAGACTCATCTTACTGTACCTGTTCCTTAGACCTTCCA

4400

4321

ATACATAAACGTCAAGTGGACGTGAATTCCGTGAGACAATAAATCTGAGTAGAATGACATGGACAAGGAATCTGGAAGGT

4400

Page 69: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

57

BsgI Hpy8I AflII MlyI

HphI SmlI PleI

AarI

BspMI

MwoI

PsrI

HpyF10VI

4401

TAATGCTACTGTCTCACTGAAACATTTAAATTTTACCCTTTAGACTGTAGCCTGGATATTATTCTTGTAGTTTACCTCTT

4480

4401

ATTACGATGACAGAGTGACTTTGTAAATTTAAAATGGGAAATCTGACATCGGACCTATAATAAGAACATCAAATGGAGAA

4480

BsmAI SwaI SfcI

Hpy8I

TspRI ApoI

DraI

4481

TAAAAACAAAACAAAACAAAACAAAAAACTCCCCTTCCTCACTGCCCAATATAAAAGGCAAATGTGTACATGGCAGAGTT

4560

4481

ATTTTTGTTTTGTTTTGTTTTGTTTTTTGAGGGGAAGGAGTGACGGGTTATATTTTCCGTTTACACATGTACCGTCTCAA

4560

DraI BtsI TspRI BsrGI

MnlI MnlI TatI

Hpy8I

Page 70: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

58

4561

TGTGTGTTGTCTTGAAAGATTCAGGTATGTTGCCTTTATGGTTTCCCCCTTCTACATTTCTTAGACTACATTTAGAGAAC

4640

4561

ACACACAACAGAACTTTCTAAGTCCATACAACGGAAATACCAAAGGGGGAAGATGTAAAGAATCTGATGTAAATCTCTTG

4640

Hpy188III BceAI

4641

TGTGGCCGTTATCTGGAAGTAACCATTTGCACTGGAGTTCTATGCTCTCGCACCTTTCCAAAGTTAACAGATTTTGGGGT

4720

4641

ACACCGGCAATAGACCTTCATTGGTAAACGTGACCTCAAGATACGAGAGCGTGGAAAGGTTTCAATTGTCTAAAACCCCA

4720

EaeI BslI TspRI BpmI HincII

Hpy188III BsrI Eco57MI HpaI

Hpy8I

4721

TGTGTTGTCACCCAAGAGATTGTTGTTTGCCATACTTTGTCTGAAAAATTCCTTTGTGTTTCTATTGACTTCAATGATAG

4800

4721

ACACAACAGTGGGTTCTCTAACAACAAACGGTATGAAACAGACTTTTTAAGGAAACACAAAGATAACTGAAGTTACTATC

4800

HphI TaqII ApoI

4801

TAAGAAAAGTGGTTGTTAGTTATAGATGTCTAGGTACTTCAGGGGCACTTCATTGAGAGTTTTGTCTTGGATATTCTTGA

4880

Page 71: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

59

4801

ATTCTTTTCACCAACAATCAATATCTACAGATCCATGAAGTCCCCGTGAAGTAACTCTCAAAACAGAACCTATAAGAACT

4880

Eco57I TspDTI Bme1580I

Hpy188III

Eco57MI Bsp1286I

4881

AAGTTTATATTTTTATAATTTTTTCTTACATCAGATGTTTCTTTGCAGTGGCTTAATGTTTGAAATTATTTTGTGGCTTT

4960

4881

TTCAAATATAAAAATATTAAAAAAGAATGTAGTCTACAAAGAAACGTCACCGAATTACAAACTTTAATAAAACACCGAAA

4960

PsiI TspRI

BtsI

4961

TTTTGTAAATATTGAAATGTAGCAATAATGTCTTTTGAATATTCCCAAGCCCATGAGTCCTTGAAAATATTTTTTATATA

5040

4961

AAAACATTTATAACTTTACATCGTTATTACAGAAAACTTATAAGGGTTCGGGTACTCAGGAACTTTTATAAAAAATATAT

5040

SspI SspI PleI

MlyI

SspI

5041

TACAGTAACTTTATGTGTAAATACATAAGCGGCGTAAGTTTAAAGGATGTTGGTGTTCCACGTGTTTTATTCCTGTATGT

5120

Page 72: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

60

5041

ATGTCATTGAAATACACATTTATGTATTCGCCGCATTCAAATTTCCTACAACCACAAGGTGCACAAAATAAGGACATACA

5120

DraI BstF5I AflIII

FokI

BsaAI

PmlI

5121 TGTCCAATTGTTGACAGTTCTGAAGAATTCTAATAAAATGTACATATATAAATCAAAAAAAAAAAAAAAA

5190

5121 ACAGGTTAACAACTGTCAAGACTTCTTAAGATTATTTTACATGTATATATTTAGTTTTTTTTTTTTTTTT

5190

MfeI HincII ApoI MboII

Hpy8I EcoRI BsrGI

TatI

Eco57I

Eco57MI

Restriction table:

Enzyme Recognition frequency Positions

__________________________________________________________________________

AarI CACCTGCnnnn'nnnn_ 2 2782, 4347

AatII G_ACGT'C 2 1284, 2643

AccI GT'mk_AC 4 2622, 2940, 3757, 4147

AclI AA'CG_TT 1 908

AflII C'TTAA_G 3 394, 3501, 4345

AflIII A'CryG_T 3 372, 2625, 5101

Page 73: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

61

AhdI GACnn_n'nnGTC 1 2644

AleI CACnn'nnGTG 2 3160, 4012

AloI GAACnnnnnnTCCnnnnnnn_nnnnn' 2 2030, 3898

AloI GGAnnnnnnGTTCnnnnnnn_nnnnn' 2 1998, 3866

AlwI GGATCnnnn'n_ 12 62, 75, 260, 289, 341, 419, 985

1139, 2507, 2810, 2963, 3549

AlwNI CAG_nnn'CTG 3 1424, 2186, 2995

ApaI G_GGCC'C 1 2082

ApaLI G'TGCA_C 3 376, 784, 3002

ApoI r'AATT_y 6 683, 770, 2125, 4429, 4767, 5146

AseI AT'TA_AT 1 1026

BaeI ACnnnnGTAyCnnnnnnn_nnnnn' 1 1195

BaeI GrTACnnnnGTnnnnnnnnnn_nnnnn' 1 1228

BamHI G'GATC_C 1 67

BanI G'GyrC_C 5 104, 537, 1238, 2596, 3124

BanII G_rGCy'C 4 11, 65, 1395, 2082

BbeI G_GCGC'C 1 108

BbsI GAAGACnn'nnnn_ 4 477, 2214, 2394, 2804

BbvI GCAGCnnnnnnnn'nnnn_ 10 15, 89, 1276, 1388, 2173, 2241

2480, 2700, 2925, 2982

BceAI ACGGCnnnnnnnnnnnn'nn_ 2 406, 4631

BclI T'GATC_A 3 600, 1822, 2733

BglII A'GATC_T 1 2306

BlpI GC'TnA_GC 2 2396, 2756

Bme1580I G_kGCm'C 7 380, 788, 1975, 2082, 3006, 3127

4848

BmgBI CAC'GTC 1 783

BmrI ACTGGGnnnn_n' 1 3303

BplI GAGnnnnnCTCnnnnnnnn_nnnnn' 6 82, 114, 2660, 2692, 3653, 3685

BpmI CTGGAGnnnnnnnnnnnnnn_nn' 6 963, 1899, 2286, 3029, 3096, 4694

Page 74: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

62

BpuEI CTTGAGnnnnnnnnnnnnnn_nn' 3 515, 586, 1946

BsaAI yAC'GTr 3 375, 1207, 5102

BsaBI GATnn'nnATC 1 2814

BsaHI Gr'CG_yC 3 105, 1281, 2640

BsaJI C'CnnG_G 15 108, 179, 541, 558, 585, 999

1869, 1870, 2026, 2085, 2289

2934, 3313, 3495, 3764

BsaWI w'CCGG_w 1 2748

BsaXI ACnnnnnCTCCnnnnnnn_nnn' 3 650, 1062, 3896

BsaXI GGAGnnnnnGTnnnnnnnnn_nnn' 3 680, 1092, 3866

BseMII CTCAGnnnnnnnn_nn' 9 1173, 1416, 1844, 2009, 2387,

2770

3007, 3140, 4168

BseRI GAGGAGnnnnnnnn_nn' 3 1784, 2974, 3874

BseYI C'CCAG_C 3 2805, 2988, 3523

BsgI GTGCAGnnnnnnnnnnnnnn_nn' 6 14, 1484, 2050, 2172, 4314, 4325

BsiEI CG_ry'CG 1 2712

BsiHKAI G_wGCw'C 6 65, 380, 788, 2882, 3006, 3155

BslI CCnn_nnn'nnGG 17 64, 462, 534, 589, 590, 627, 1372

1493, 1848, 2076, 2290, 2301

2699, 3113, 3314, 3450, 4653

BsmI GAATG_Cn' 4 1103, 1532, 2209, 2709

BsmAI GTCTCn'nnnn_ 5 195, 2454, 2526, 3526, 4417

BsmBI CGTCTCn'nnnn_ 1 195

BsmFI GGGACnnnnnnnnnn'nnnn_ 2 2267, 4302

Bsp1286I G_dGCh'C 12 11, 65, 380, 788, 1395, 1975

2082, 2882, 3006, 3127, 3155

4848

BspCNI CTCAGnnnnnnn_nn' 9 1174, 1417, 1845, 2010, 2388,

2769

3008, 3141, 4169

Page 75: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

63

BspEI T'CCGG_A 1 2748

BspHI T'CATG_A 1 597

BspMI ACCTGCnnnn'nnnn_ 2 2782, 4347

BsrI ACTG_Gn' 4 1454, 3298, 4109, 4677

BsrBI CCG'CTC 1 453

BsrFI r'CCGG_y 2 362, 2707

BsrGI T'GTAC_A 2 4546, 5160

BssSI C'ACGA_G 1 1349

BstAPI GCAn_nnn'nTGC 2 1695, 2186

BstEII G'GTnAC_C 1 3036

BstF5I GGATG_nn' 15 197, 201, 205, 307, 687, 1465

1636, 2368, 2598, 2757, 2815

3103, 3190, 3395, 5092

BstXI CCAn_nnnn'nTGG 3 3120, 3341, 4014

BstYI r'GATC_y 6 67, 294, 424, 1131, 2306, 2815

BstZ17I GTA'TAC 2 2623, 3758

BtgI C'CryG_G 1 2934

BtsI GCAGTG_nn' 7 1133, 3130, 3592, 3993, 4023,

4520

4933

Cac8I GCn'nGC 11 26, 100, 592, 705, 745, 872, 1361

1687, 2065, 3679, 4088

DraI TTT'AAA 5 1612, 3628, 4428, 4482, 5082

DrdI GACnn_nn'nnGTC 2 227, 485

EaeI y'GGCC_r 3 1935, 3164, 4644

EarI CTCTTCn'nnn_ 4 163, 558, 3063, 3586

Eco57I CTGAAGnnnnnnnnnnnnnn_nn' 4 3372, 3923, 4823, 5162

EcoICRI GAG'CTC 1 63

Eco57MI CTGrAGnnnnnnnnnnnnnn_nn' 10 963, 1899, 2286, 3029, 3096, 3372

3923, 4694, 4823, 5162

Page 76: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

64

EcoNI CCTnn'n_nnAGG 1 3312

EcoO109I rG'GnC_Cy 2 2078, 4190

EcoRI G'AATT_C 2 770, 5146

FalI AAGnnnnnCTTnnnnnnnn_nnnnn' 6 2175, 2207, 2729, 2761, 3565,

3597

FauI CCCGCnnnn'nn_ 2 583, 2356

FokI GGATGnnnnnnnnn'nnnn_ 15 184, 188, 192, 314, 674, 1472

1623, 2375, 2605, 2764, 2822

3090, 3177, 3382, 5099

HaeII r_GCGC'y 2 99, 108

HgaI GACGCnnnnn'nnnnn_ 1 133

Hin4I GAynnnnnvTCnnnnnnnn_nnnnn' 6 52, 79, 650, 2630, 2662, 2869

Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn' 6 47, 84, 682, 2630, 2662, 2901

HincII GTy'rAC 4 448, 912, 4706, 5133

HindIII A'AGCT_T 2 434, 4279

HpaI GTT'AAC 1 4706

HphI GGTGAnnnnnnn_n' 5 893, 2126, 3030, 4328, 4721

Hpy8I GTn'nAC 25 55, 378, 448, 652, 786, 814, 912

1063, 1214, 1653, 1795, 2623

2941, 3004, 3354, 3568, 3589

3758, 3778, 4148, 4336, 4473

4547, 4706, 5133

Hpy188III TC'nn_GA 15 148, 578, 598, 691, 942, 1333

1351, 1888, 2017, 2539, 2749

4262, 4572, 4654, 4877

HpyF10VI GCn_nnnnn'nGC 16 26, 29, 84, 103, 105, 137, 638

714, 1296, 1696, 2187, 2436, 3647

3675, 4084, 4349

KasI G'GCGC_C 1 104

MboII GAAGAnnnnnnn_n' 16 150, 482, 545, 743, 779, 1024

Page 77: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

65

1178, 2148, 2183, 2195, 2214

2399, 2809, 3050, 3573, 5155

MfeI C'AATT_G 1 5126

MlyI GAGTCnnnnn' 7 184, 2228, 2338, 3313, 4188, 4360

5025

MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn' 5 657, 2477, 2922, 3131, 3233

MnlI CCTCnnnnnn_n' 31 86, 507, 539, 561, 561, 652, 693

1241, 1762, 1894, 2006, 2069

2353, 2444, 2449, 2492, 2992

2995, 3003, 3053, 3273, 3277

3679, 3719, 3895, 4088, 4154

4180, 4291, 4486, 4528

MslI CAynn'nnrTG 8 410, 879, 1703, 2255, 3009, 3160

4012, 4290

MspA1I CmG'CkG 1 492

MwoI GCnn_nnn'nnGC 16 25, 28, 83, 102, 104, 136, 637

713, 1295, 1695, 2186, 2435, 3646

3674, 4083, 4348

NarI GG'CG_CC 1 105

NlaIV GGn'nCC 13 69, 106, 186, 539, 1240, 2062

2080, 2598, 3126, 3207, 3299

4004, 4191

NspI r_CATG'y 2 1363, 4094

PacI TTA_AT'TAA 1 1923

PflMI CCAn_nnn'nTGG 2 1372, 1493

PleI GAGTCnnnn'n_ 7 183, 2227, 2338, 3312, 4187, 4360

5024

PmlI CAC'GTG 2 375, 5102

PpiI GAACnnnnnCTCnnnnnnnn_nnnnn' 1 3898

PpiI GAGnnnnnGTTCnnnnnnn_nnnnn' 1 3866

Page 78: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

66

PpuMI rG'GwC_Cy 1 4190

PsiI TTA'TAA 2 2196, 4896

PspOMI G'GGCC_C 1 2078

PsrI GAACnnnnnnTACnnnnnnn_nnnnn' 1 4317

PsrI GTAnnnnnnGTTCnnnnnnn_nnnnn' 1 4349

PstI C_TGCA'G 2 2231, 2915

SacI G_AGCT'C 1 65

SapI GCTCTTCn'nnn_ 2 163, 3586

ScaI AGT'ACT 2 2239, 4232

SexAI A'CCwGG_T 2 2409, 3618

SfaNI GCATCnnnnn'nnnn_ 12 603, 883, 1424, 1921, 1947, 2742

2800, 3112, 3566, 3704, 3958

4320

SfcI C'TryA_G 7 851, 1050, 1518, 2227, 2911, 3909

4446

SfoI GGC'GCC 1 106

SmlI C'TyrA_G 6 394, 530, 565, 1961, 3501, 4345

SnaBI TAC'GTA 1 1207

SphI G_CATG'C 1 1363

SspI AAT'ATT 7 1727, 2044, 2102, 4155, 4971,

5001

5029

StuI AGG'CCT 1 3668

StyI C'CwwG_G 6 558, 585, 999, 2026, 2289, 3313

SwaI ATTT'AAAT 1 4428

TaqII CACCCAnnnnnnnnn_nn' 2 1862, 4746

TatI w'GTAC_w 9 813, 1447, 1750, 2237, 2247, 3952

4230, 4546, 5160

TspDTI ATGAAnnnnnnnnn_nn' 23 318, 342, 676, 909, 940, 1012

1113, 1154, 1203, 1208, 1761

Page 79: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

67

2054, 2139, 2273, 2810, 3263

3503, 3508, 3559, 3705, 3913

4211, 4840

TspGWI ACGGAnnnnnnnnn_nn' 2 353, 3699

TspRI _nnCAsTGnn' 17 268, 675, 783, 1133, 1159, 1461

1760, 3033, 3137, 3599, 3785

4000, 4030, 4422, 4527, 4677

4933

Tth111I GACn'n_nGTC 1 3011

XbaI T'CTAG_A 1 4261

XmnI GAAnn'nnTTC 2 3259, 3904

ZraI GAC'GTC 2 1282, 2641

Enzymes that cut five or fewer times

Enzyme Recognition frequency Positions

__________________________________________________________________________

AarI CACCTGCnnnn'nnnn_ 2 2782, 4347

AatII G_ACGT'C 2 1284, 2643

AccI GT'mk_AC 4 2622, 2940, 3757, 4147

AclI AA'CG_TT 1 908

AflII C'TTAA_G 3 394, 3501, 4345

AflIII A'CryG_T 3 372, 2625, 5101

AhdI GACnn_n'nnGTC 1 2644

AleI CACnn'nnGTG 2 3160, 4012

AloI GAACnnnnnnTCCnnnnnnn_nnnnn' 2 2030, 3898

AloI GGAnnnnnnGTTCnnnnnnn_nnnnn' 2 1998, 3866

AlwNI CAG_nnn'CTG 3 1424, 2186, 2995

ApaI G_GGCC'C 1 2082

Page 80: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

68

ApaLI G'TGCA_C 3 376, 784, 3002

AseI AT'TA_AT 1 1026

BaeI ACnnnnGTAyCnnnnnnn_nnnnn' 1 1195

BaeI GrTACnnnnGTnnnnnnnnnn_nnnnn' 1 1228

BamHI G'GATC_C 1 67

BanI G'GyrC_C 5 104, 537, 1238, 2596, 3124

BanII G_rGCy'C 4 11, 65, 1395, 2082

BbeI G_GCGC'C 1 108

BbsI GAAGACnn'nnnn_ 4 477, 2214, 2394, 2804

BceAI ACGGCnnnnnnnnnnnn'nn_ 2 406, 4631

BclI T'GATC_A 3 600, 1822, 2733

BglII A'GATC_T 1 2306

BlpI GC'TnA_GC 2 2396, 2756

BmgBI CAC'GTC 1 783

BmrI ACTGGGnnnn_n' 1 3303

BpuEI CTTGAGnnnnnnnnnnnnnn_nn' 3 515, 586, 1946

BsaAI yAC'GTr 3 375, 1207, 5102

BsaBI GATnn'nnATC 1 2814

BsaHI Gr'CG_yC 3 105, 1281, 2640

BsaWI w'CCGG_w 1 2748

BsaXI ACnnnnnCTCCnnnnnnn_nnn' 3 650, 1062, 3896

BsaXI GGAGnnnnnGTnnnnnnnnn_nnn' 3 680, 1092, 3866

BseRI GAGGAGnnnnnnnn_nn' 3 1784, 2974, 3874

BseYI C'CCAG_C 3 2805, 2988, 3523

BsiEI CG_ry'CG 1 2712

BsmI GAATG_Cn' 4 1103, 1532, 2209, 2709

BsmAI GTCTCn'nnnn_ 5 195, 2454, 2526, 3526, 4417

BsmBI CGTCTCn'nnnn_ 1 195

BsmFI GGGACnnnnnnnnnn'nnnn_ 2 2267, 4302

BspEI T'CCGG_A 1 2748

Page 81: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

69

BspHI T'CATG_A 1 597

BspMI ACCTGCnnnn'nnnn_ 2 2782, 4347

BsrI ACTG_Gn' 4 1454, 3298, 4109, 4677

BsrBI CCG'CTC 1 453

BsrFI r'CCGG_y 2 362, 2707

BsrGI T'GTAC_A 2 4546, 5160

BssSI C'ACGA_G 1 1349

BstAPI GCAn_nnn'nTGC 2 1695, 2186

BstEII G'GTnAC_C 1 3036

BstXI CCAn_nnnn'nTGG 3 3120, 3341, 4014

BstZ17I GTA'TAC 2 2623, 3758

BtgI C'CryG_G 1 2934

DraI TTT'AAA 5 1612, 3628, 4428, 4482, 5082

DrdI GACnn_nn'nnGTC 2 227, 485

EaeI y'GGCC_r 3 1935, 3164, 4644

EarI CTCTTCn'nnn_ 4 163, 558, 3063, 3586

Eco57I CTGAAGnnnnnnnnnnnnnn_nn' 4 3372, 3923, 4823, 5162

EcoICRI GAG'CTC 1 63

EcoNI CCTnn'n_nnAGG 1 3312

EcoO109I rG'GnC_Cy 2 2078, 4190

EcoRI G'AATT_C 2 770, 5146

FauI CCCGCnnnn'nn_ 2 583, 2356

HaeII r_GCGC'y 2 99, 108

HgaI GACGCnnnnn'nnnnn_ 1 133

HincII GTy'rAC 4 448, 912, 4706, 5133

HindIII A'AGCT_T 2 434, 4279

HpaI GTT'AAC 1 4706

HphI GGTGAnnnnnnn_n' 5 893, 2126, 3030, 4328, 4721

KasI G'GCGC_C 1 104

MfeI C'AATT_G 1 5126

Page 82: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

70

MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn' 5 657, 2477, 2922, 3131, 3233

MspA1I CmG'CkG 1 492

NarI GG'CG_CC 1 105

NspI r_CATG'y 2 1363, 4094

PacI TTA_AT'TAA 1 1923

PflMI CCAn_nnn'nTGG 2 1372, 1493

PmlI CAC'GTG 2 375, 5102

PpiI GAACnnnnnCTCnnnnnnnn_nnnnn' 1 3898

PpiI GAGnnnnnGTTCnnnnnnn_nnnnn' 1 3866

PpuMI rG'GwC_Cy 1 4190

PsiI TTA'TAA 2 2196, 4896

PspOMI G'GGCC_C 1 2078

PsrI GAACnnnnnnTACnnnnnnn_nnnnn' 1 4317

PsrI GTAnnnnnnGTTCnnnnnnn_nnnnn' 1 4349

PstI C_TGCA'G 2 2231, 2915

SacI G_AGCT'C 1 65

SapI GCTCTTCn'nnn_ 2 163, 3586

ScaI AGT'ACT 2 2239, 4232

SexAI A'CCwGG_T 2 2409, 3618

SfoI GGC'GCC 1 106

SnaBI TAC'GTA 1 1207

SphI G_CATG'C 1 1363

StuI AGG'CCT 1 3668

SwaI ATTT'AAAT 1 4428

TaqII CACCCAnnnnnnnnn_nn' 2 1862, 4746

TspGWI ACGGAnnnnnnnnn_nn' 2 353, 3699

Tth111I GACn'n_nGTC 1 3011

XbaI T'CTAG_A 1 4261

XmnI GAAnn'nnTTC 2 3259, 3904

ZraI GAC'GTC 2 1282, 2641

Page 83: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

71

Position Enzyme(s)

__________________________________________________________________________

11 BanII G_rGCy'C

11 Bsp1286I G_dGCh'C

14 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

15 BbvI GCAGCnnnnnnnn'nnnn_

25 MwoI GCnn_nnn'nnGC

26 HpyF10VI GCn_nnnnn'nGC

26 Cac8I GCn'nGC

28 MwoI GCnn_nnn'nnGC

29 HpyF10VI GCn_nnnnn'nGC

47 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

52 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

55 Hpy8I GTn'nAC

62 AlwI GGATCnnnn'n_

63 EcoICRI GAG'CTC

64 BslI CCnn_nnn'nnGG

65 BanII G_rGCy'C

65 BsiHKAI G_wGCw'C

65 Bsp1286I G_dGCh'C

65 SacI G_AGCT'C

67 BamHI G'GATC_C

67 BstYI r'GATC_y

69 NlaIV GGn'nCC

75 AlwI GGATCnnnn'n_

79 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

82 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

83 MwoI GCnn_nnn'nnGC

Page 84: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

72

84 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

84 HpyF10VI GCn_nnnnn'nGC

86 MnlI CCTCnnnnnn_n'

89 BbvI GCAGCnnnnnnnn'nnnn_

99 HaeII r_GCGC'y

100 Cac8I GCn'nGC

102 MwoI GCnn_nnn'nnGC

103 HpyF10VI GCn_nnnnn'nGC

104 MwoI GCnn_nnn'nnGC

104 BanI G'GyrC_C

104 KasI G'GCGC_C

105 HpyF10VI GCn_nnnnn'nGC

105 BsaHI Gr'CG_yC

105 NarI GG'CG_CC

106 NlaIV GGn'nCC

106 SfoI GGC'GCC

108 BbeI G_GCGC'C

108 HaeII r_GCGC'y

108 BsaJI C'CnnG_G

114 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

133 HgaI GACGCnnnnn'nnnnn_

136 MwoI GCnn_nnn'nnGC

137 HpyF10VI GCn_nnnnn'nGC

148 Hpy188III TC'nn_GA

150 MboII GAAGAnnnnnnn_n'

163 SapI GCTCTTCn'nnn_

163 EarI CTCTTCn'nnn_

179 BsaJI C'CnnG_G

183 PleI GAGTCnnnn'n_

184 MlyI GAGTCnnnnn'

Page 85: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

73

184 FokI GGATGnnnnnnnnn'nnnn_

186 NlaIV GGn'nCC

188 FokI GGATGnnnnnnnnn'nnnn_

192 FokI GGATGnnnnnnnnn'nnnn_

195 BsmBI CGTCTCn'nnnn_

195 BsmAI GTCTCn'nnnn_

197 BstF5I GGATG_nn'

201 BstF5I GGATG_nn'

205 BstF5I GGATG_nn'

227 DrdI GACnn_nn'nnGTC

260 AlwI GGATCnnnn'n_

268 TspRI _nnCAsTGnn'

289 AlwI GGATCnnnn'n_

294 BstYI r'GATC_y

307 BstF5I GGATG_nn'

314 FokI GGATGnnnnnnnnn'nnnn_

318 TspDTI ATGAAnnnnnnnnn_nn'

341 AlwI GGATCnnnn'n_

342 TspDTI ATGAAnnnnnnnnn_nn'

353 TspGWI ACGGAnnnnnnnnn_nn'

362 BsrFI r'CCGG_y

372 AflIII A'CryG_T

375 BsaAI yAC'GTr

375 PmlI CAC'GTG

376 ApaLI G'TGCA_C

378 Hpy8I GTn'nAC

380 Bme1580I G_kGCm'C

380 BsiHKAI G_wGCw'C

380 Bsp1286I G_dGCh'C

394 AflII C'TTAA_G

Page 86: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

74

394 SmlI C'TyrA_G

406 BceAI ACGGCnnnnnnnnnnnn'nn_

410 MslI CAynn'nnrTG

419 AlwI GGATCnnnn'n_

424 BstYI r'GATC_y

434 HindIII A'AGCT_T

448 HincII GTy'rAC

448 Hpy8I GTn'nAC

453 BsrBI CCG'CTC

462 BslI CCnn_nnn'nnGG

477 BbsI GAAGACnn'nnnn_

482 MboII GAAGAnnnnnnn_n'

485 DrdI GACnn_nn'nnGTC

492 MspA1I CmG'CkG

507 MnlI CCTCnnnnnn_n'

515 BpuEI CTTGAGnnnnnnnnnnnnnn_nn'

530 SmlI C'TyrA_G

534 BslI CCnn_nnn'nnGG

537 BanI G'GyrC_C

539 MnlI CCTCnnnnnn_n'

539 NlaIV GGn'nCC

541 BsaJI C'CnnG_G

545 MboII GAAGAnnnnnnn_n'

558 EarI CTCTTCn'nnn_

558 BsaJI C'CnnG_G

558 StyI C'CwwG_G

561 MnlI CCTCnnnnnn_n'

561 MnlI CCTCnnnnnn_n'

565 SmlI C'TyrA_G

578 Hpy188III TC'nn_GA

Page 87: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

75

583 FauI CCCGCnnnn'nn_

585 BsaJI C'CnnG_G

585 StyI C'CwwG_G

586 BpuEI CTTGAGnnnnnnnnnnnnnn_nn'

589 BslI CCnn_nnn'nnGG

590 BslI CCnn_nnn'nnGG

592 Cac8I GCn'nGC

597 BspHI T'CATG_A

598 Hpy188III TC'nn_GA

600 BclI T'GATC_A

603 SfaNI GCATCnnnnn'nnnn_

627 BslI CCnn_nnn'nnGG

637 MwoI GCnn_nnn'nnGC

638 HpyF10VI GCn_nnnnn'nGC

650 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

650 BsaXI ACnnnnnCTCCnnnnnnn_nnn'

652 Hpy8I GTn'nAC

652 MnlI CCTCnnnnnn_n'

657 MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn'

674 FokI GGATGnnnnnnnnn'nnnn_

675 TspRI _nnCAsTGnn'

676 TspDTI ATGAAnnnnnnnnn_nn'

680 BsaXI GGAGnnnnnGTnnnnnnnnn_nnn'

682 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

683 ApoI r'AATT_y

687 BstF5I GGATG_nn'

691 Hpy188III TC'nn_GA

693 MnlI CCTCnnnnnn_n'

705 Cac8I GCn'nGC

713 MwoI GCnn_nnn'nnGC

Page 88: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

76

714 HpyF10VI GCn_nnnnn'nGC

743 MboII GAAGAnnnnnnn_n'

745 Cac8I GCn'nGC

770 ApoI r'AATT_y

770 EcoRI G'AATT_C

779 MboII GAAGAnnnnnnn_n'

783 TspRI _nnCAsTGnn'

783 BmgBI CAC'GTC

784 ApaLI G'TGCA_C

786 Hpy8I GTn'nAC

788 Bme1580I G_kGCm'C

788 BsiHKAI G_wGCw'C

788 Bsp1286I G_dGCh'C

813 TatI w'GTAC_w

814 Hpy8I GTn'nAC

851 SfcI C'TryA_G

872 Cac8I GCn'nGC

879 MslI CAynn'nnrTG

883 SfaNI GCATCnnnnn'nnnn_

893 HphI GGTGAnnnnnnn_n'

908 AclI AA'CG_TT

909 TspDTI ATGAAnnnnnnnnn_nn'

912 HincII GTy'rAC

912 Hpy8I GTn'nAC

940 TspDTI ATGAAnnnnnnnnn_nn'

942 Hpy188III TC'nn_GA

963 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

963 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

985 AlwI GGATCnnnn'n_

999 BsaJI C'CnnG_G

Page 89: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

77

999 StyI C'CwwG_G

1012 TspDTI ATGAAnnnnnnnnn_nn'

1024 MboII GAAGAnnnnnnn_n'

1026 AseI AT'TA_AT

1050 SfcI C'TryA_G

1062 BsaXI ACnnnnnCTCCnnnnnnn_nnn'

1063 Hpy8I GTn'nAC

1092 BsaXI GGAGnnnnnGTnnnnnnnnn_nnn'

1103 BsmI GAATG_Cn'

1113 TspDTI ATGAAnnnnnnnnn_nn'

1131 BstYI r'GATC_y

1133 TspRI _nnCAsTGnn'

1133 BtsI GCAGTG_nn'

1139 AlwI GGATCnnnn'n_

1154 TspDTI ATGAAnnnnnnnnn_nn'

1159 TspRI _nnCAsTGnn'

1173 BseMII CTCAGnnnnnnnn_nn'

1174 BspCNI CTCAGnnnnnnn_nn'

1178 MboII GAAGAnnnnnnn_n'

1195 BaeI ACnnnnGTAyCnnnnnnn_nnnnn'

1203 TspDTI ATGAAnnnnnnnnn_nn'

1207 BsaAI yAC'GTr

1207 SnaBI TAC'GTA

1208 TspDTI ATGAAnnnnnnnnn_nn'

1214 Hpy8I GTn'nAC

1228 BaeI GrTACnnnnGTnnnnnnnnnn_nnnnn'

1238 BanI G'GyrC_C

1240 NlaIV GGn'nCC

1241 MnlI CCTCnnnnnn_n'

1276 BbvI GCAGCnnnnnnnn'nnnn_

Page 90: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

78

1281 BsaHI Gr'CG_yC

1282 ZraI GAC'GTC

1284 AatII G_ACGT'C

1295 MwoI GCnn_nnn'nnGC

1296 HpyF10VI GCn_nnnnn'nGC

1333 Hpy188III TC'nn_GA

1349 BssSI C'ACGA_G

1351 Hpy188III TC'nn_GA

1361 Cac8I GCn'nGC

1363 NspI r_CATG'y

1363 SphI G_CATG'C

1372 BslI CCnn_nnn'nnGG

1372 PflMI CCAn_nnn'nTGG

1388 BbvI GCAGCnnnnnnnn'nnnn_

1395 BanII G_rGCy'C

1395 Bsp1286I G_dGCh'C

1416 BseMII CTCAGnnnnnnnn_nn'

1417 BspCNI CTCAGnnnnnnn_nn'

1424 AlwNI CAG_nnn'CTG

1424 SfaNI GCATCnnnnn'nnnn_

1447 TatI w'GTAC_w

1454 BsrI ACTG_Gn'

1461 TspRI _nnCAsTGnn'

1465 BstF5I GGATG_nn'

1472 FokI GGATGnnnnnnnnn'nnnn_

1484 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

1493 BslI CCnn_nnn'nnGG

1493 PflMI CCAn_nnn'nTGG

1518 SfcI C'TryA_G

1532 BsmI GAATG_Cn'

Page 91: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

79

1612 DraI TTT'AAA

1623 FokI GGATGnnnnnnnnn'nnnn_

1636 BstF5I GGATG_nn'

1653 Hpy8I GTn'nAC

1687 Cac8I GCn'nGC

1695 BstAPI GCAn_nnn'nTGC

1695 MwoI GCnn_nnn'nnGC

1696 HpyF10VI GCn_nnnnn'nGC

1703 MslI CAynn'nnrTG

1727 SspI AAT'ATT

1750 TatI w'GTAC_w

1760 TspRI _nnCAsTGnn'

1761 TspDTI ATGAAnnnnnnnnn_nn'

1762 MnlI CCTCnnnnnn_n'

1784 BseRI GAGGAGnnnnnnnn_nn'

1795 Hpy8I GTn'nAC

1822 BclI T'GATC_A

1844 BseMII CTCAGnnnnnnnn_nn'

1845 BspCNI CTCAGnnnnnnn_nn'

1848 BslI CCnn_nnn'nnGG

1862 TaqII CACCCAnnnnnnnnn_nn'

1869 BsaJI C'CnnG_G

1870 BsaJI C'CnnG_G

1888 Hpy188III TC'nn_GA

1894 MnlI CCTCnnnnnn_n'

1899 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

1899 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

1921 SfaNI GCATCnnnnn'nnnn_

1923 PacI TTA_AT'TAA

1935 EaeI y'GGCC_r

Page 92: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

80

1946 BpuEI CTTGAGnnnnnnnnnnnnnn_nn'

1947 SfaNI GCATCnnnnn'nnnn_

1961 SmlI C'TyrA_G

1975 Bme1580I G_kGCm'C

1975 Bsp1286I G_dGCh'C

1998 AloI GGAnnnnnnGTTCnnnnnnn_nnnnn'

2006 MnlI CCTCnnnnnn_n'

2009 BseMII CTCAGnnnnnnnn_nn'

2010 BspCNI CTCAGnnnnnnn_nn'

2017 Hpy188III TC'nn_GA

2026 BsaJI C'CnnG_G

2026 StyI C'CwwG_G

2030 AloI GAACnnnnnnTCCnnnnnnn_nnnnn'

2044 SspI AAT'ATT

2050 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

2054 TspDTI ATGAAnnnnnnnnn_nn'

2062 NlaIV GGn'nCC

2065 Cac8I GCn'nGC

2069 MnlI CCTCnnnnnn_n'

2076 BslI CCnn_nnn'nnGG

2078 EcoO109I rG'GnC_Cy

2078 PspOMI G'GGCC_C

2080 NlaIV GGn'nCC

2082 ApaI G_GGCC'C

2082 BanII G_rGCy'C

2082 Bme1580I G_kGCm'C

2082 Bsp1286I G_dGCh'C

2085 BsaJI C'CnnG_G

2102 SspI AAT'ATT

2125 ApoI r'AATT_y

Page 93: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

81

2126 HphI GGTGAnnnnnnn_n'

2139 TspDTI ATGAAnnnnnnnnn_nn'

2148 MboII GAAGAnnnnnnn_n'

2172 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

2173 BbvI GCAGCnnnnnnnn'nnnn_

2175 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

2183 MboII GAAGAnnnnnnn_n'

2186 BstAPI GCAn_nnn'nTGC

2186 MwoI GCnn_nnn'nnGC

2186 AlwNI CAG_nnn'CTG

2187 HpyF10VI GCn_nnnnn'nGC

2195 MboII GAAGAnnnnnnn_n'

2196 PsiI TTA'TAA

2207 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

2209 BsmI GAATG_Cn'

2214 MboII GAAGAnnnnnnn_n'

2214 BbsI GAAGACnn'nnnn_

2227 PleI GAGTCnnnn'n_

2227 SfcI C'TryA_G

2228 MlyI GAGTCnnnnn'

2231 PstI C_TGCA'G

2237 TatI w'GTAC_w

2239 ScaI AGT'ACT

2241 BbvI GCAGCnnnnnnnn'nnnn_

2247 TatI w'GTAC_w

2255 MslI CAynn'nnrTG

2267 BsmFI GGGACnnnnnnnnnn'nnnn_

2273 TspDTI ATGAAnnnnnnnnn_nn'

2286 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

2286 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

Page 94: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

82

2289 BsaJI C'CnnG_G

2289 StyI C'CwwG_G

2290 BslI CCnn_nnn'nnGG

2301 BslI CCnn_nnn'nnGG

2306 BglII A'GATC_T

2306 BstYI r'GATC_y

2338 MlyI GAGTCnnnnn'

2338 PleI GAGTCnnnn'n_

2353 MnlI CCTCnnnnnn_n'

2356 FauI CCCGCnnnn'nn_

2368 BstF5I GGATG_nn'

2375 FokI GGATGnnnnnnnnn'nnnn_

2387 BseMII CTCAGnnnnnnnn_nn'

2388 BspCNI CTCAGnnnnnnn_nn'

2394 BbsI GAAGACnn'nnnn_

2396 BlpI GC'TnA_GC

2399 MboII GAAGAnnnnnnn_n'

2409 SexAI A'CCwGG_T

2435 MwoI GCnn_nnn'nnGC

2436 HpyF10VI GCn_nnnnn'nGC

2444 MnlI CCTCnnnnnn_n'

2449 MnlI CCTCnnnnnn_n'

2454 BsmAI GTCTCn'nnnn_

2477 MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn'

2480 BbvI GCAGCnnnnnnnn'nnnn_

2492 MnlI CCTCnnnnnn_n'

2507 AlwI GGATCnnnn'n_

2526 BsmAI GTCTCn'nnnn_

2539 Hpy188III TC'nn_GA

2596 BanI G'GyrC_C

Page 95: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

83

2598 BstF5I GGATG_nn'

2598 NlaIV GGn'nCC

2605 FokI GGATGnnnnnnnnn'nnnn_

2622 AccI GT'mk_AC

2623 BstZ17I GTA'TAC

2623 Hpy8I GTn'nAC

2625 AflIII A'CryG_T

2630 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

2630 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

2640 BsaHI Gr'CG_yC

2641 ZraI GAC'GTC

2643 AatII G_ACGT'C

2644 AhdI GACnn_n'nnGTC

2660 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

2662 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

2662 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

2692 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

2699 BslI CCnn_nnn'nnGG

2700 BbvI GCAGCnnnnnnnn'nnnn_

2707 BsrFI r'CCGG_y

2709 BsmI GAATG_Cn'

2712 BsiEI CG_ry'CG

2729 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

2733 BclI T'GATC_A

2742 SfaNI GCATCnnnnn'nnnn_

2748 BsaWI w'CCGG_w

2748 BspEI T'CCGG_A

2749 Hpy188III TC'nn_GA

2756 BlpI GC'TnA_GC

2757 BstF5I GGATG_nn'

Page 96: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

84

2761 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

2764 FokI GGATGnnnnnnnnn'nnnn_

2769 BspCNI CTCAGnnnnnnn_nn'

2770 BseMII CTCAGnnnnnnnn_nn'

2782 AarI CACCTGCnnnn'nnnn_

2782 BspMI ACCTGCnnnn'nnnn_

2800 SfaNI GCATCnnnnn'nnnn_

2804 BbsI GAAGACnn'nnnn_

2805 BseYI C'CCAG_C

2809 MboII GAAGAnnnnnnn_n'

2810 TspDTI ATGAAnnnnnnnnn_nn'

2810 AlwI GGATCnnnn'n_

2814 BsaBI GATnn'nnATC

2815 BstF5I GGATG_nn'

2815 BstYI r'GATC_y

2822 FokI GGATGnnnnnnnnn'nnnn_

2869 Hin4I GAynnnnnvTCnnnnnnnn_nnnnn'

2882 BsiHKAI G_wGCw'C

2882 Bsp1286I G_dGCh'C

2901 Hin4I GAbnnnnnrTCnnnnnnnn_nnnnn'

2911 SfcI C'TryA_G

2915 PstI C_TGCA'G

2922 MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn'

2925 BbvI GCAGCnnnnnnnn'nnnn_

2934 BsaJI C'CnnG_G

2934 BtgI C'CryG_G

2940 AccI GT'mk_AC

2941 Hpy8I GTn'nAC

2963 AlwI GGATCnnnn'n_

2974 BseRI GAGGAGnnnnnnnn_nn'

Page 97: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

85

2982 BbvI GCAGCnnnnnnnn'nnnn_

2988 BseYI C'CCAG_C

2992 MnlI CCTCnnnnnn_n'

2995 MnlI CCTCnnnnnn_n'

2995 AlwNI CAG_nnn'CTG

3002 ApaLI G'TGCA_C

3003 MnlI CCTCnnnnnn_n'

3004 Hpy8I GTn'nAC

3006 Bme1580I G_kGCm'C

3006 BsiHKAI G_wGCw'C

3006 Bsp1286I G_dGCh'C

3007 BseMII CTCAGnnnnnnnn_nn'

3008 BspCNI CTCAGnnnnnnn_nn'

3009 MslI CAynn'nnrTG

3011 Tth111I GACn'n_nGTC

3029 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

3029 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

3030 HphI GGTGAnnnnnnn_n'

3033 TspRI _nnCAsTGnn'

3036 BstEII G'GTnAC_C

3050 MboII GAAGAnnnnnnn_n'

3053 MnlI CCTCnnnnnn_n'

3063 EarI CTCTTCn'nnn_

3090 FokI GGATGnnnnnnnnn'nnnn_

3096 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

3096 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

3103 BstF5I GGATG_nn'

3112 SfaNI GCATCnnnnn'nnnn_

3113 BslI CCnn_nnn'nnGG

3120 BstXI CCAn_nnnn'nTGG

Page 98: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

86

3124 BanI G'GyrC_C

3126 NlaIV GGn'nCC

3127 Bme1580I G_kGCm'C

3127 Bsp1286I G_dGCh'C

3130 BtsI GCAGTG_nn'

3131 MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn'

3137 TspRI _nnCAsTGnn'

3140 BseMII CTCAGnnnnnnnn_nn'

3141 BspCNI CTCAGnnnnnnn_nn'

3155 BsiHKAI G_wGCw'C

3155 Bsp1286I G_dGCh'C

3160 AleI CACnn'nnGTG

3160 MslI CAynn'nnrTG

3164 EaeI y'GGCC_r

3177 FokI GGATGnnnnnnnnn'nnnn_

3190 BstF5I GGATG_nn'

3207 NlaIV GGn'nCC

3233 MmeI TCCrACnnnnnnnnnnnnnnnnnn_nn'

3259 XmnI GAAnn'nnTTC

3263 TspDTI ATGAAnnnnnnnnn_nn'

3273 MnlI CCTCnnnnnn_n'

3277 MnlI CCTCnnnnnn_n'

3298 BsrI ACTG_Gn'

3299 NlaIV GGn'nCC

3303 BmrI ACTGGGnnnn_n'

3312 PleI GAGTCnnnn'n_

3312 EcoNI CCTnn'n_nnAGG

3313 MlyI GAGTCnnnnn'

3313 BsaJI C'CnnG_G

3313 StyI C'CwwG_G

Page 99: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

87

3314 BslI CCnn_nnn'nnGG

3341 BstXI CCAn_nnnn'nTGG

3354 Hpy8I GTn'nAC

3372 Eco57I CTGAAGnnnnnnnnnnnnnn_nn'

3372 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

3382 FokI GGATGnnnnnnnnn'nnnn_

3395 BstF5I GGATG_nn'

3450 BslI CCnn_nnn'nnGG

3495 BsaJI C'CnnG_G

3501 AflII C'TTAA_G

3501 SmlI C'TyrA_G

3503 TspDTI ATGAAnnnnnnnnn_nn'

3508 TspDTI ATGAAnnnnnnnnn_nn'

3523 BseYI C'CCAG_C

3526 BsmAI GTCTCn'nnnn_

3549 AlwI GGATCnnnn'n_

3559 TspDTI ATGAAnnnnnnnnn_nn'

3565 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

3566 SfaNI GCATCnnnnn'nnnn_

3568 Hpy8I GTn'nAC

3573 MboII GAAGAnnnnnnn_n'

3586 SapI GCTCTTCn'nnn_

3586 EarI CTCTTCn'nnn_

3589 Hpy8I GTn'nAC

3592 BtsI GCAGTG_nn'

3597 FalI AAGnnnnnCTTnnnnnnnn_nnnnn'

3599 TspRI _nnCAsTGnn'

3618 SexAI A'CCwGG_T

3628 DraI TTT'AAA

3646 MwoI GCnn_nnn'nnGC

Page 100: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

88

3647 HpyF10VI GCn_nnnnn'nGC

3653 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

3668 StuI AGG'CCT

3674 MwoI GCnn_nnn'nnGC

3675 HpyF10VI GCn_nnnnn'nGC

3679 MnlI CCTCnnnnnn_n'

3679 Cac8I GCn'nGC

3685 BplI GAGnnnnnCTCnnnnnnnn_nnnnn'

3699 TspGWI ACGGAnnnnnnnnn_nn'

3704 SfaNI GCATCnnnnn'nnnn_

3705 TspDTI ATGAAnnnnnnnnn_nn'

3719 MnlI CCTCnnnnnn_n'

3757 AccI GT'mk_AC

3758 BstZ17I GTA'TAC

3758 Hpy8I GTn'nAC

3764 BsaJI C'CnnG_G

3778 Hpy8I GTn'nAC

3785 TspRI _nnCAsTGnn'

3866 AloI GGAnnnnnnGTTCnnnnnnn_nnnnn'

3866 PpiI GAGnnnnnGTTCnnnnnnn_nnnnn'

3866 BsaXI GGAGnnnnnGTnnnnnnnnn_nnn'

3874 BseRI GAGGAGnnnnnnnn_nn'

3895 MnlI CCTCnnnnnn_n'

3896 BsaXI ACnnnnnCTCCnnnnnnn_nnn'

3898 AloI GAACnnnnnnTCCnnnnnnn_nnnnn'

3898 PpiI GAACnnnnnCTCnnnnnnnn_nnnnn'

3904 XmnI GAAnn'nnTTC

3909 SfcI C'TryA_G

3913 TspDTI ATGAAnnnnnnnnn_nn'

3923 Eco57I CTGAAGnnnnnnnnnnnnnn_nn'

Page 101: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

89

3923 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

3952 TatI w'GTAC_w

3958 SfaNI GCATCnnnnn'nnnn_

3993 BtsI GCAGTG_nn'

4000 TspRI _nnCAsTGnn'

4004 NlaIV GGn'nCC

4012 AleI CACnn'nnGTG

4012 MslI CAynn'nnrTG

4014 BstXI CCAn_nnnn'nTGG

4023 BtsI GCAGTG_nn'

4030 TspRI _nnCAsTGnn'

4083 MwoI GCnn_nnn'nnGC

4084 HpyF10VI GCn_nnnnn'nGC

4088 MnlI CCTCnnnnnn_n'

4088 Cac8I GCn'nGC

4094 NspI r_CATG'y

4109 BsrI ACTG_Gn'

4147 AccI GT'mk_AC

4148 Hpy8I GTn'nAC

4154 MnlI CCTCnnnnnn_n'

4155 SspI AAT'ATT

4168 BseMII CTCAGnnnnnnnn_nn'

4169 BspCNI CTCAGnnnnnnn_nn'

4180 MnlI CCTCnnnnnn_n'

4187 PleI GAGTCnnnn'n_

4188 MlyI GAGTCnnnnn'

4190 EcoO109I rG'GnC_Cy

4190 PpuMI rG'GwC_Cy

4191 NlaIV GGn'nCC

4211 TspDTI ATGAAnnnnnnnnn_nn'

Page 102: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

90

4230 TatI w'GTAC_w

4232 ScaI AGT'ACT

4261 XbaI T'CTAG_A

4262 Hpy188III TC'nn_GA

4279 HindIII A'AGCT_T

4290 MslI CAynn'nnrTG

4291 MnlI CCTCnnnnnn_n'

4302 BsmFI GGGACnnnnnnnnnn'nnnn_

4314 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

4317 PsrI GAACnnnnnnTACnnnnnnn_nnnnn'

4320 SfaNI GCATCnnnnn'nnnn_

4325 BsgI GTGCAGnnnnnnnnnnnnnn_nn'

4328 HphI GGTGAnnnnnnn_n'

4336 Hpy8I GTn'nAC

4345 AflII C'TTAA_G

4345 SmlI C'TyrA_G

4347 AarI CACCTGCnnnn'nnnn_

4347 BspMI ACCTGCnnnn'nnnn_

4348 MwoI GCnn_nnn'nnGC

4349 PsrI GTAnnnnnnGTTCnnnnnnn_nnnnn'

4349 HpyF10VI GCn_nnnnn'nGC

4360 MlyI GAGTCnnnnn'

4360 PleI GAGTCnnnn'n_

4417 BsmAI GTCTCn'nnnn_

4422 TspRI _nnCAsTGnn'

4428 SwaI ATTT'AAAT

4428 DraI TTT'AAA

4429 ApoI r'AATT_y

4446 SfcI C'TryA_G

4473 Hpy8I GTn'nAC

Page 103: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

91

4482 DraI TTT'AAA

4486 MnlI CCTCnnnnnn_n'

4520 BtsI GCAGTG_nn'

4527 TspRI _nnCAsTGnn'

4528 MnlI CCTCnnnnnn_n'

4546 BsrGI T'GTAC_A

4546 TatI w'GTAC_w

4547 Hpy8I GTn'nAC

4572 Hpy188III TC'nn_GA

4631 BceAI ACGGCnnnnnnnnnnnn'nn_

4644 EaeI y'GGCC_r

4653 BslI CCnn_nnn'nnGG

4654 Hpy188III TC'nn_GA

4677 TspRI _nnCAsTGnn'

4677 BsrI ACTG_Gn'

4694 BpmI CTGGAGnnnnnnnnnnnnnn_nn'

4694 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

4706 HincII GTy'rAC

4706 HpaI GTT'AAC

4706 Hpy8I GTn'nAC

4721 HphI GGTGAnnnnnnn_n'

4746 TaqII CACCCAnnnnnnnnn_nn'

4767 ApoI r'AATT_y

4823 Eco57I CTGAAGnnnnnnnnnnnnnn_nn'

4823 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

4840 TspDTI ATGAAnnnnnnnnn_nn'

4848 Bme1580I G_kGCm'C

4848 Bsp1286I G_dGCh'C

4877 Hpy188III TC'nn_GA

4896 PsiI TTA'TAA

Page 104: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

92

4933 TspRI _nnCAsTGnn'

4933 BtsI GCAGTG_nn'

4971 SspI AAT'ATT

5001 SspI AAT'ATT

5024 PleI GAGTCnnnn'n_

5025 MlyI GAGTCnnnnn'

5029 SspI AAT'ATT

5082 DraI TTT'AAA

5092 BstF5I GGATG_nn'

5099 FokI GGATGnnnnnnnnn'nnnn_

5101 AflIII A'CryG_T

5102 BsaAI yAC'GTr

5102 PmlI CAC'GTG

5126 MfeI C'AATT_G

5133 HincII GTy'rAC

5133 Hpy8I GTn'nAC

5146 ApoI r'AATT_y

5146 EcoRI G'AATT_C

5155 MboII GAAGAnnnnnnn_n'

5160 BsrGI T'GTAC_A

5160 TatI w'GTAC_w

5162 Eco57I CTGAAGnnnnnnnnnnnnnn_nn'

5162 Eco57MI CTGrAGnnnnnnnnnnnnnn_nn'

Enzymes that do not cut:

_________________________________________________________

Acc65I, AfeI, AgeI, AscI, AsiSI, AvaI, AvrII, BbvCI, BcgI, BcgI, BciVI, BfrBI

BglI, BmtI, Bpu10I, BsaI, BsiWI, BsrDI, BssHII, BstBI, Bsu36I, ClaI, DraIII, EagI

EciI, EcoRV, FseI, FspI, FspAI, KpnI, MluI, MscI, NaeI, NcoI, NdeI, NgoMIV, NheI

Page 105: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

93

NotI, NruI, NsiI, PciI, PmeI, PshAI, PvuI, PvuII, RsrII, SacII, SalI, SanDI, SbfI

SfiI, SgrAI, SmaI, SpeI, SrfI, TaqII, XcmI, XhoI, XmaI

Page 106: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

94

Page 107: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

95

ORF Finder (Open Reading Frame Finder)

Page 108: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

96

Page 109: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

97

Page 110: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

98

Page 111: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

99

Page 112: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

100

Map View (MapViver, 2009)

Page 113: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

101

Page 114: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

102

Ref.

Page 115: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

103

Electronic Forward PCR results (F-Electronic PCR, 2009)

Page 116: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

104

Electronic Forward PCR results

UniSTS:21855 Links

STS-N21003

Homo sapiens chromosome 4, loci LOC653882 and KIT

Pan troglodytes chromosome 4, locus KIT

Found by e-PCR in sequences from Homo sapiens, Pan

troglodytes, Pongo abelii and Schistosoma japonicum.

Primer Information

Forward primer: ATTTTTCCGACAGCACTGAC

Reverse primer: GGACTTGAGGTTTATTCCTGAC

PCR product size: 125 (bp), Homo sapiens

Homo sapiens

Name: STS-N21003

Also known as: SHGC-67473 sts-N21003

Polymorphism info:

Cross References

Gene GeneID: 3815

Page 117: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

105

Symbol: KIT

Description: v-kit Hardy-Zuckerman 4 feline

sarcoma viral oncogene homolog

Position: 4q11-q12

Gene GeneID: 653882

Symbol: LOC653882

Description: similar to Mast/stem cell growth factor

receptor precursor (SCFR) (Proto-

oncogene tyrosine-protein kinase

Kit) (c-kit) (CD117 antigen)

Position:

UniGene Hs.479754 V-kit Hardy-Zuckerman 4 feline

sarcoma viral oncogene homolog

Mapping Information

STS-

N21003

Sequence Map: Chr

4|Celera

Map

Viewer

Position: 49661932-49662056 (bp)

STS-

N21003

Sequence Map: Chr

4|HuRef

Map

Viewer

Position: 51512466-51512590 (bp)

STS-

N21003

Sequence Map: Chr

4|Celera

Map

Viewer

Page 118: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

106

Position: 53066732-53066856 (bp)

STS-

N21003

Sequence Map: Chr 4 Map

Viewer

Position: 55564586-55564710 (bp)

sts-N21003 NCBI RH Map: Chr 4 Map

Viewer

Position: 619 (cR)

Lod score: 4.08

SHGC-67473 TNG Map: Chr 4 Map

Viewer

Position: 30139 (cR50000)

Lod score: 13.8

Reference Interval: 60

sts-N21003 GeneMap99-GB4

Map:

Chr 4 Map

Viewer

Position: 315.03 (cR3000)

Lod score: 3.00

Reference Interval: D4S1577-D4S1594

Electronic PCR results

Page 119: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

107

RefSeq mRNA (3)

XM_936229.1 150 .. 274 (125 bp)

NM_001093772.1 561 .. 685 (125 bp)

NM_000222.2 561 .. 685 (125 bp)

mRNA (4)

X06182.1 495 .. 619 (125 bp)

BC071593.1 550 .. 674 (125 bp)

EU826594.1 474 .. 598 (125 bp)

AK304031.1 532 .. 656 (125 bp)

Genomic RefSeqs (5 of 9)[Show All Hits]

NW_922095.1 164 .. 288 (125 bp)

NW_922162.1 2891706 .. 2891830 (125 bp)

AC_000047.1 49661932 .. 49662056 (125 bp)

AC_000047.1 53066732 .. 53066856 (125 bp)

NW_001838913.1 2909984 .. 2910108 (125 bp)

Genomic (5)

X69303.1 236 .. 360 (125 bp)

L04143.1 2364 .. 2488 (125 bp)

U63834.1 46673 .. 46797 (125 bp)

AC006552.7 184116 .. 184240 (125 bp)

Page 120: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

108

AC092545.3 723 .. 847 (125 bp)

Working Draft phase 1 (from GenBank HTGS division) (1)

AC006553.10 100516 .. 100640 (125 bp)

ESTs (5 of 7)[Show All Hits]

H96865.1 171 .. 295 (125 bp)

N21003.1 174 .. 298 (125 bp)

BE081957.1 194 .. 318 (125 bp)

BF744451.1 212 .. 336 (125 bp)

CN414752.1 381 .. 505 (125 bp)

Whole Genome Shotgun sequences (5 of 7)[Show All Hits]

AADD01045773.1 17349 .. 17473 (125 bp)

AADC01040747.1 230491 .. 230615 (125 bp)

AADB02189580.1 11 .. 135 (125 bp)

AADB02006720.1 81824 .. 81948 (125 bp)

AADB02006679.1 164 .. 288 (125 bp)

Patent sequences (5 of 44)[Show All Hits]

AX195908.1 495 .. 619 (125 bp)

AX331941.1 495 .. 619 (125 bp)

AX335913.1 495 .. 619 (125 bp)

Page 121: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

109

AX771405.1 2364 .. 2488 (125 bp)

CQ719901.1 510 .. 634 (125 bp)

Pan troglodytes

Name: STS-N21003

Polymorphism info:

Cross References

Gene GeneID: 461316

Symbol: KIT

Description: v-kit Hardy-Zuckerman 4 feline sarcoma

viral oncogene homolog

Position:

Mapping Information

STS-N21003 Sequence Map: Chr 4 Map Viewer

Position: 75900215-75900339 (bp)

Electronic PCR results

Page 122: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

110

RefSeq mRNA (1)

XM_517285.2 777 .. 901 (125 bp)

Genomic RefSeqs (1)

NW_001234062.1 8734044 .. 8734168 (125 bp)

Whole Genome Shotgun sequences (2)

AADA01199678.1 10005 .. 10129 (125 bp)

AACZ02049805.1 58752 .. 58876 (125 bp)

Pongo abelii

Polymorphism info:

Electronic PCR results

ESTs (1)

CR767571.1 524 .. 648 (125 bp)

Schistosoma japonicum

Page 123: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

111

Polymorphism info:

Electronic PCR results

ESTs (1)

CV751530.1 56 .. 180 (125 bp)

High Thoughput cDNA sequences (1)

AY914890.1 56 .. 180 (125 bp)

Page 124: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

112

Electronic Rev. PCR results (R-Electronic PCR, 2009)

1 ATTTTTCCGACAGCACTGAC GGACTTGAGGTTTATTCCTGAC 125

Page 125: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

113

Vecscreen (Vecscreen, 2009)

No significant similarity found.

Page 126: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

114

Page 127: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

115

GENSCAN Output (Genscan, 2009)

View gene model output: PS | PDF

GENSCAN 1.0 Date run: 21-Dec-109 Time: 03:03:23

Sequence /tmp/12_21_09-03:03:23.fasta : 5283 bp : 42.31% C+G : Isochore 1 (

0 - 43 C+G%)

Parameter matrix: HumanIso.smat

Predicted genes/exons:

Gn.Ex Type S .Begin ...End .Len Fr Ph I/Ac Do/T CodRg P.... Tscr..

----- ---- - ------ ------ ---- -- -- ---- ---- ----- ----- ------

1.01 Sngl + 181 3111 2931 0 0 73 53 2224 0.999 207.50

1.02 PlyA + 3453 3458 6 1.05

Suboptimal exons with probability > 1.000

Exnum Type S .Begin ...End .Len Fr Ph B/Ac Do/T CodRg P.... Tscr..

----- ---- - ------ ------ ---- -- -- ---- ---- ----- ----- ------

NO EXONS FOUND AT GIVEN PROBABILITY CUTOFF

Predicted peptide sequence(s):

>/tmp/12_21_09-03:03:23.fasta|GENSCAN_predicted_peptide_1|976_aa

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTD

PGFVKWTFEILDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLV

DRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYH

RLCLHCSVDQEGKSVLSEKFILKVRPAFKAVPVVSVSKASYLLREGEEFTVTCTIKDVSS

SVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSARVNDSGVFMCYANNTFGSAN

Page 128: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

116

VTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEYEAFPKPEHQQWIYMNRTFTDKWE

DYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNVYVNTKPEILTYDR

LVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSIDS

SAFKHNGTVECKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIV

MILTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAF

GKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGAC

TIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNE

YMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGM

AFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPES

IFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMY

DIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSV

GSTASSSQPLLVHDDV

Page 129: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

117

Page 130: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

118

Blast Result (NT-BLAST, 2009)

Page 131: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

119

Rectangle View Of Blast Result

Page 132: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

120

Slanted View Of Blast Result

Radial view of Blast Result

Page 133: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

121

Force view of Blast Result

Page 134: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

122

Sequences producing significant alignments:

Legend for links to other resources: UniGene GEO Gene Structure

Map Viewer

(Click headers to sort columns)

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

NM_000222.2

Homo sapiens v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT), transcript variant

1, mRNA

958

5

958

5 100% 0.0

100

%

BC071593.1

Homo sapiens v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog,

mRNA (cDNA clone

MGC:87427

IMAGE:4375615),

complete cds

954

2

954

2 99% 0.0 99%

NM_00109377

2.1

Homo sapiens v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT), transcript variant

2, mRNA

950

7

950

7 100% 0.0 99%

XM_517285.2

PREDICTED: Pan

troglodytes v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT), mRNA

929

1

929

1 99% 0.0 99%

X06182.1 Human c-kit proto-

oncogene mRNA

887

0

940

0 95% 0.0

100

%

Page 135: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

123

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

XM_001089071

.1

PREDICTED: Macaca

mulatta v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(KIT), mRNA

866

5

866

5 99% 0.0 96%

AK304031.1

Homo sapiens cDNA

FLJ54320 complete

cds, highly similar to

Mast/stem cell growth

factor receptor

precursor (EC 2.7.10.1)

627

6

627

6 66% 0.0 99%

AB463344.1

Synthetic construct

DNA, clone:

pF1KB7018, Homo

sapiens KIT gene for v-

kit Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog,

without stop codon, in

Flexi system

533

2

533

2 56% 0.0 99%

AB097502.1 Callithrix jacchus c-kit

mRNA, complete cds

464

9

464

9 56% 0.0 95%

NG_007456.1

Homo sapiens v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT) on chromosome 4

422

4

966

4 99% 0.0

100

%

AC092545.3

Homo sapiens BAC clone

RP11-586A2 from 4,

complete sequence

422

4

887

2 91% 0.0

100

%

Page 136: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

124

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

NM_00116648

4.1

Bos taurus v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(KIT), mRNA

415

0

486

6 98% 0.0 86%

NM_00100983

7.3

Felis catus v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(KIT), mRNA

>gb|S76596.1| c-

kit=receptor tyrosine

kinase p145c-kit [cats,

fetal head, mRNA,

4222 nt]

403

7

403

7 75% 0.0 85%

NM_00116386

6.1

Equus caballus v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT), mRNA

374

6

374

6 58% 0.0 89%

D45168.1

Capra hircus mRNA for

caprine c-kit protein,

complete cds

370

7

370

7 72% 0.0 84%

L04143.1 Human c-kit gene 365

7

974

5 98% 0.0

100

%

X69316.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon

21

365

7

423

5 41% 0.0

100

%

Page 137: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

125

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

AF055037.1

Equus caballus tyrosine

kinase receptor

homolog (KIT) mRNA,

partial cds

360

7

360

7 56% 0.0 89%

AJ224643.1

Equus caballus KIT

mRNA (roan coloured

Belgian horse; rn(TaqI-

) allele)

360

5

360

5 55% 0.0 89%

AJ224644.1

Equus caballus KIT

mRNA (roan coloured

Belgian horse)

360

0

360

0 55% 0.0 89%

AJ224645.1

Equus caballus KIT

mRNA (non-roan

coloured North

Swedish Trotter)

359

4

359

4 55% 0.0 89%

NM_00100318

1.1

Canis lupus familiaris v-

kit Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(KIT), mRNA

>gb|AF044249.1|AF04

4249 Canis familiaris

receptor tyrosine

kinase c-kit mRNA,

complete cds

357

0

357

0 60% 0.0 87%

AY296484.1

Canis familiaris tyrosine

kinase receptor c-KIT

mRNA, complete cds

355

7

355

7 56% 0.0 88%

D16680.1 Bos primigenius mRNA

for c-kit receptor,

355

7

355

7 58% 0.0 88%

Page 138: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

126

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

complete cds

AF099030.1

Canis familiaris KIT (c-

kit) mRNA, complete

cds

355

2

355

2 56% 0.0 88%

AF448148.1 Canis familiaris c-KIT

mRNA, complete cds

354

8

354

8 56% 0.0 88%

AY874543.1

Equus caballus

mast/stem cell growth

factor receptor (KIT)

mRNA, partial cds

352

0

352

0 54% 0.0 89%

AJ224642.1

Equus caballus KIT

mRNA (roan coloured

Belgian horse; rn(TaqI-

) allele)

351

3

361

0 55% 0.0 92%

AY313776.1

Canis familiaris tyrosine

kinase receptor (c-kit)

mRNA, complete cds

349

1

349

1 56% 0.0 88%

FJ938289.1

Sus scrofa mast/stem

cell growth factor

receptor (KIT) mRNA,

complete cds

339

8

339

8 72% 0.0 83%

NM_00104452

5.1

Sus scrofa v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(KIT), mRNA

>dbj|AB250963.1| Sus

scrofa KIT mRNA for

mast/stem cell growth

337

4

337

4 72% 0.0 83%

Page 139: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

127

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

factor receptor,

complete cds

DQ288944.1

Sus scrofa mast/stem

cell growth factor

receptor (KIT) mRNA,

KIT*RC2 allele, partial

cds

334

1

334

1 57% 0.0 87%

DQ288943.1

Sus scrofa mast/stem

cell growth factor

receptor (KIT) mRNA,

KIT*RC1 allele, partial

cds

333

0

333

0 57% 0.0 86%

AY876383.1

Bubalus bubalis proto-

oncogene c-kit

receptor-like mRNA,

complete sequence

332

8

332

8 57% 0.0 87%

AJ223228.1

Sus scrofa mRNA for

mast/stem cell growth

factor receptor

(KIT1*0101)

330

1

330

1 57% 0.0 86%

AJ223230.1

Sus scrofa mRNA for

mast/stem cell growth

factor receptor

(KIT1*0202)

329

0

329

0 57% 0.0 86%

AJ223229.1

Sus scrofa mRNA for

mast/stem cell growth

factor receptor

(KIT1*0201)

327

8

327

8 57% 0.0 86%

DQ314491.1 Bubalus bubalis tissue- 320 320 57% 0.0 86%

Page 140: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

128

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

type testis proto-

oncogene c-kit

receptor mRNA,

complete cds

3 3

AY910688.1

Equus caballus

mast/stem cell growth

factor receptor (KIT)

mRNA, KIT-SB1 allele,

partial cds,

alternatively spliced

280

8

333

1 52% 0.0 93%

AF263827.1 Bos taurus C-KIT protein

mRNA, partial cds

274

3

274

3 41% 0.0 89%

AF263826.1

Bos taurus breed

Hereford C-KIT protein

mRNA, partial cds

274

3

274

3 41% 0.0 89%

EU247828.1

Rattus norvegicus strain

BN Kit oncogene (KIT)

mRNA, complete cds

271

5

271

5 58% 0.0 82%

EU247827.1

Rattus norvegicus strain

ACI Kit oncogene (KIT)

mRNA, complete cds

270

0

270

0 58% 0.0 82%

NM_022264.1

Rattus norvegicus v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(Kit), mRNA

>dbj|D12524.1|RATCK

ITPO Rattus norvegicus

mRNA for c-kit

receptor tyrosine

270

0

270

0 58% 0.0 82%

Page 141: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

129

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

kinase

NM_00112273

3.1

Mus musculus kit

oncogene (Kit),

transcript variant 1,

mRNA

265

4

313

4 68% 0.0 83%

AK046795.1

Mus musculus 10 days

neonate medulla

oblongata cDNA,

RIKEN full-length

enriched library,

clone:B830009P17

product:kit oncogene,

full insert sequence

264

3

264

3 57% 0.0 82%

BC075716.1

Mus musculus kit

oncogene, mRNA

(cDNA clone

MGC:78140

IMAGE:3673641),

complete cds

264

1

264

1 56% 0.0 83%

BC026713.1

Mus musculus kit

oncogene, mRNA

(cDNA clone

IMAGE:5008623)

264

1

312

1 67% 0.0 83%

X62491.1

R.rattus mRNA for c-kit

receptor tyrosine

kinase isoform

263

4

263

4 58% 0.0 82%

AK047010.1

Mus musculus 10 days

neonate cerebellum

cDNA, RIKEN full-

length enriched library,

263

0

263

0 57% 0.0 82%

Page 142: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

130

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

clone:B930010O12

product:kit oncogene,

full insert sequence

AJ223231.1

Sus scrofa mRNA for

mast/stem cell growth

factor receptor

(KIT2*0201)

260

4

260

4 47% 0.0 86%

NM_021099.3

Mus musculus kit

oncogene (Kit),

transcript variant 2,

mRNA

257

1

305

1 68% 0.0 83%

BC052457.1

Mus musculus kit

oncogene, mRNA

(cDNA clone

MGC:63313

IMAGE:6830637),

complete cds

255

8

303

8 67% 0.0 83%

AY536430.1

Mus musculus proto-

oncogene c-kit (Kit)

mRNA, complete cds

255

8

255

8 56% 0.0 82%

AY536431.1

Mus musculus mutant

proto-oncogene c-kit

(Kit) mRNA, complete

cds

255

3

255

3 56% 0.0 82%

Y00864.1 Mouse c-kit mRNA 254

7

294

9 64% 0.0 85%

U63834.1 Human KIT protein and

alternatively spliced

KIT protein (KIT) gene,

242

9

954

2 98% 0.0

100

%

Page 143: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

131

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

complete cds

AY829238.1

Bubalus bubalis c-kit

protooncogene

receptor mRNA, partial

sequence

241

4

241

4 41% 0.0 86%

EU826594.1

Homo sapiens soluble

KIT variant 1 (KIT)

mRNA, complete cds,

alternatively spliced

227

6

227

6 23% 0.0

100

%

AK145462.1

Mus musculus cDNA,

RIKEN full-length

enriched library,

clone:I0C0048O08

product:kit oncogene,

full insert sequence

215

2

259

8 53% 0.0 84%

XM_001371004

.1

PREDICTED:

Monodelphis

domestica similar to

stem cell factor

receptor

(LOC100017501),

mRNA

200

6

200

6 51% 0.0 80%

AF131209.1

Trichosurus vulpecula

stem cell factor

receptor (c-kit) mRNA,

partial cds

181

4

181

4 49% 0.0 79%

X03711.1

Hardy-Zuckermann 4

feline sarcoma virus

(H24-FeSV) kit

oncogene

156

8

156

8 21% 0.0 92%

Page 144: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

132

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

XM_001724747

.1

PREDICTED: Homo

sapiens similar to KIT

protein (LOC652799),

mRNA

156

5

156

5 16% 0.0 99%

AY184499.1

Macaca mulatta v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene-like protein

(KIT) gene, partial

sequence

151

3

151

3 17% 0.0 96%

DQ450844.1

Lama pacos mast/stem

cell growth factor

receptor mRNA, partial

cds

150

7

150

7 20% 0.0 92%

AY927690.1

Cavia porcellus v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene-like protein

(KIT) mRNA, partial

cds, alternatively

spliced

135

4

135

4 21% 0.0 88%

AY927691.1

Cavia porcellus v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene-like protein

(KIT) mRNA, partial

cds, alternatively

spliced

129

3

129

3 21% 0.0 88%

AM420315.1 Equus caballus genomic

BAC clone CH241-

440E11, containing KIT

112

5

455

6 80% 0.0 97%

Page 145: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

133

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

gene

AF296696.1

Rattus norvegicus c-kit

receptor mRNA, partial

cds

111

6

111

6 18% 0.0 87%

AF323756.1

Mustela vison c-kit

tyrosine kinase

receptor-like mRNA,

partial sequence

109

8

109

8 17% 0.0 88%

XM_936229.1

PREDICTED: Homo

sapiens similar to v-kit

Hardy-Zuckerman 4

feline sarcoma viral

oncogene homolog

(LOC653882), mRNA

109

6

109

6 11% 0.0 99%

AF296693.1

Rattus norvegicus c-kit

receptor mRNA, partial

cds

106

1

106

1 18% 0.0 86%

XM_002192817

.1

PREDICTED: Taeniopygia

guttata v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(LOC100221238),

mRNA

959 959 24% 0.0 80%

NM_204361.1

Gallus gallus v-kit Hardy-

Zuckerman 4 feline

sarcoma viral

oncogene homolog

(KIT), mRNA

>dbj|D13225.1|CHKCK

948 948 24% 0.0 80%

Page 146: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

134

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

ITP Gallus gallus mRNA

for c-kit protein,

complete cds

AJ438313.1 Homo sapiens partial

mRNA for KIT protein 876 876 9% 0.0 99%

XM_001506782

.1

PREDICTED:

Ornithorhynchus

anatinus similar to KIT

protein

(LOC100075317),

mRNA

832 832 24% 0.0 78%

AY692084.1

Canis familiaris c-KIT

protein (KIT) mRNA,

partial cds

737 737 11% 0.0 88%

X65997.1

M.musculus c-kit mRNA

for truncated tyrosine-

kinase

625 102

7 19%

9e-

17

5

85%

EF472963.1

Mus musculus strain

CD1 KIT oncogene (Kit)

mRNA, complete cds

619 619 11%

4e-

17

3

85%

AY914890.1 Schistosoma japonicum

unknown mRNA 606 606 6%

3e-

16

9

99%

AC006552.7

Homo sapiens

chromosome 4 clone

C0084L10 map 4p16,

complete sequence

525 144

8 14%

9e-

14

5

100

%

X69303.1 H.sapiens KIT proto-

oncogene for

525 525 5% 9e-

14100

Page 147: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

135

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

mast/stem cell growth

factor receptor, exon 3

5 %

X69302.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 2

505 505 5%

1e-

13

8

100

%

AK238625.1

Sus scrofa mRNA,

clone:THY010008F12,

expressed in thymus

473 473 6%

3e-

12

9

91%

AF296694.1

Rattus norvegicus c-kit

receptor mRNA, partial

cds

462 462 15%

7e-

12

6

77%

AC115853.8

Mus musculus

chromosome 5, clone

RP24-273B9, complete

sequence

457 138

4 23%

3e-

12

4

96%

AM293661.1 Ovis aries partial mRNA

for c-kit (KIT gene) 392 392 6%

1e-

10

4

87%

X69309.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 9

363 363 3% 8e-

96

100

%

X69306.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 6

357 357 3% 4e-

94

100

%

AF296695.1 Rattus norvegicus c-kit

receptor-like protein

348 348 15% 2e- 74%

Page 148: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

136

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

mRNA, partial

sequence

91

X69305.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 5

326 326 3% 1e-

84 98%

XM_001119799

.1

PREDICTED: Macaca

mulatta similar to

Mast/stem cell growth

factor receptor

precursor (SCFR)

(Proto-oncogene

tyrosine-protein kinase

Kit) (c-kit) (CD117

antigen) (LOC723756),

partial mRNA

320 320 3% 5e-

83 98%

S67773.1

c-kit=proto-oncogene

{promoter} [human,

leukocytes, Genomic,

1306 nt]

287 287 2% 5e-

73

100

%

X69301.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 1

287 287 2% 5e-

73

100

%

X69311.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon

14

283 283 2% 6e-

72

100

%

AF228311.1 Rattus norvegicus clone 257 257 5% 4e- 82%

Page 149: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

137

Accession Description

Max

sc

or

e

Tota

l

sc

or

e

Query

cover

age

E

val

ue

Max

id

en

t

Links

pSSCK5 c-kit receptor

mRNA, partial cds

64

X69304.1

H.sapiens KIT proto-

oncogene for

mast/stem cell growth

factor receptor, exon 4

257 257 2% 4e-

64

100

%

AF228309.1

Rattus norvegicus clone

pSSCK3 c-kit receptor

mRNA, partial cds

252 252 5% 2e-

62 81%

AF228307.1

Rattus norvegicus clone

pSSCK1 c-kit receptor

mRNA, partial cds

250 250 5% 6e-

62 81%

Page 150: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

138

Fasta Result

Page 151: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

139

Page 152: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

140

MSA (Multiple Sequence Alignment)

>gi|148005048|ref|NM_000222.2| Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog (KIT), transcript variant 1, mRNA

TCTGGGGGCTCGGCTTTGCCGCGCTCGCTGCACTTGGGCGAGAGCTGGAACGTGGACCAGAGCTCGGATC

CCATCGCAGCTACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATTTTCTCTGCGTTCTGCTCCTACTGCT

TCGCGTCCAGACAGGCTCTTCTCAACCATCTGTGAGTCCAGGGGAACCGTCTCCACCATCCATCCATCCA

GGAAAATCAGACTTAATAGTCCGCGTGGGCGACGAGATTAGGCTGTTATGCACTGATCCGGGCTTTGTCA

AATGGACTTTTGAGATCCTGGATGAAACGAATGAGAATAAGCAGAATGAATGGATCACGGAAAAGGCAGA

AGCCACCAACACCGGCAAATACACGTGCACCAACAAACACGGCTTAAGCAATTCCATTTATGTGTTTGTT

AGAGATCCTGCCAAGCTTTTCCTTGTTGACCGCTCCTTGTATGGGAAAGAAGACAACGACACGCTGGTCC

GCTGTCCTCTCACAGACCCAGAAGTGACCAATTATTCCCTCAAGGGGTGCCAGGGGAAGCCTCTTCCCAA

GGACTTGAGGTTTATTCCTGACCCCAAGGCGGGCATCATGATCAAAAGTGTGAAACGCGCCTACCATCGG

CTCTGTCTGCATTGTTCTGTGGACCAGGAGGGCAAGTCAGTGCTGTCGGAAAAATTCATCCTGAAAGTGA

GGCCAGCCTTCAAAGCTGTGCCTGTTGTGTCTGTGTCCAAAGCAAGCTATCTTCTTAGGGAAGGGGAAGA

ATTCACAGTGACGTGCACAATAAAAGATGTGTCTAGTTCTGTGTACTCAACGTGGAAAAGAGAAAACAGT

CAGACTAAACTACAGGAGAAATATAATAGCTGGCATCACGGTGACTTCAATTATGAACGTCAGGCAACGT

TGACTATCAGTTCAGCGAGAGTTAATGATTCTGGAGTGTTCATGTGTTATGCCAATAATACTTTTGGATC

AGCAAATGTCACAACAACCTTGGAAGTAGTAGATAAAGGATTCATTAATATCTTCCCCATGATAAACACT

ACAGTATTTGTAAACGATGGAGAAAATGTAGATTTGATTGTTGAATATGAAGCATTCCCCAAACCTGAAC

ACCAGCAGTGGATCTATATGAACAGAACCTTCACTGATAAATGGGAAGATTATCCCAAGTCTGAGAATGA

AAGTAATATCAGATACGTAAGTGAACTTCATCTAACGAGATTAAAAGGCACCGAAGGAGGCACTTACACA

TTCCTAGTGTCCAATTCTGACGTCAATGCTGCCATAGCATTTAATGTTTATGTGAATACAAAACCAGAAA

TCCTGACTTACGACAGGCTCGTGAATGGCATGCTCCAATGTGTGGCAGCAGGATTCCCAGAGCCCACAAT

AGATTGGTATTTTTGTCCAGGAACTGAGCAGAGATGCTCTGCTTCTGTACTGCCAGTGGATGTGCAGACA

CTAAACTCATCTGGGCCACCGTTTGGAAAGCTAGTGGTTCAGAGTTCTATAGATTCTAGTGCATTCAAGC

ACAATGGCACGGTTGAATGTAAGGCTTACAACGATGTGGGCAAGACTTCTGCCTATTTTAACTTTGCATT

Page 153: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

141

TAAAGGTAACAACAAAGAGCAAATCCATCCCCACACCCTGTTCACTCCTTTGCTGATTGGTTTCGTAATC

GTAGCTGGCATGATGTGCATTATTGTGATGATTCTGACCTACAAATATTTACAGAAACCCATGTATGAAG

TACAGTGGAAGGTTGTTGAGGAGATAAATGGAAACAATTATGTTTACATAGACCCAACACAACTTCCTTA

TGATCACAAATGGGAGTTTCCCAGAAACAGGCTGAGTTTTGGGAAAACCCTGGGTGCTGGAGCTTTCGGG

AAGGTTGTTGAGGCAACTGCTTATGGCTTAATTAAGTCAGATGCGGCCATGACTGTCGCTGTAAAGATGC

TCAAGCCGAGTGCCCATTTGACAGAACGGGAAGCCCTCATGTCTGAACTCAAAGTCCTGAGTTACCTTGG

TAATCACATGAATATTGTGAATCTACTTGGAGCCTGCACCATTGGAGGGCCCACCCTGGTCATTACAGAA

TATTGTTGCTATGGTGATCTTTTGAATTTTTTGAGAAGAAAACGTGATTCATTTATTTGTTCAAAGCAGG

AAGATCATGCAGAAGCTGCACTTTATAAGAATCTTCTGCATTCAAAGGAGTCTTCCTGCAGCGATAGTAC

TAATGAGTACATGGACATGAAACCTGGAGTTTCTTATGTTGTCCCAACCAAGGCCGACAAAAGGAGATCT

GTGAGAATAGGCTCATACATAGAAAGAGATGTGACTCCCGCCATCATGGAGGATGACGAGTTGGCCCTAG

ACTTAGAAGACTTGCTGAGCTTTTCTTACCAGGTGGCAAAGGGCATGGCTTTCCTCGCCTCCAAGAATTG

TATTCACAGAGACTTGGCAGCCAGAAATATCCTCCTTACTCATGGTCGGATCACAAAGATTTGTGATTTT

GGTCTAGCCAGAGACATCAAGAATGATTCTAATTATGTGGTTAAAGGAAACGCTCGACTACCTGTGAAGT

GGATGGCACCTGAAAGCATTTTCAACTGTGTATACACGTTTGAAAGTGACGTCTGGTCCTATGGGATTTT

TCTTTGGGAGCTGTTCTCTTTAGGAAGCAGCCCCTATCCTGGAATGCCGGTCGATTCTAAGTTCTACAAG

ATGATCAAGGAAGGCTTCCGGATGCTCAGCCCTGAACACGCACCTGCTGAAATGTATGACATAATGAAGA

CTTGCTGGGATGCAGATCCCCTAAAAAGACCAACATTCAAGCAAATTGTTCAGCTAATTGAGAAGCAGAT

TTCAGAGAGCACCAATCATATTTACTCCAACTTAGCAAACTGCAGCCCCAACCGACAGAAGCCCGTGGTA

GACCATTCTGTGCGGATCAATTCTGTCGGCAGCACCGCTTCCTCCTCCCAGCCTCTGCTTGTGCACGACG

ATGTCTGAGCAGAATCAGTGTTTGGGTCACCCCTCCAGGAATGATCTCTTCTTTTGGCTTCCATGATGGT

TATTTTCTTTTCTTTCAACTTGCATCCAACTCCAGGATAGTGGGCACCCCACTGCAATCCTGTCTTTCTG

AGCACACTTTAGTGGCCGATGATTTTTGTCATCAGCCACCATCCTATTGCAAAGGTTCCAACTGTATATA

TTCCCAATAGCAACGTAGCTTCTACCATGAACAGAAAACATTCTGATTTGGAAAAAGAGAGGGAGGTATG

GACTGGGGGCCAGAGTCCTTTCCAAGGCTTCTCCAATTCTGCCCAAAAATATGGTTGATAGTTTACCTGA

Page 154: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

142

ATAAATGGTAGTAATCACAGTTGGCCTTCAGAACCATCCATAGTAGTATGATGATACAAGATTAGAAGCT

GAAAACCTAAGTCCTTTATGTGGAAAACAGAACATCATTAGAACAAAGGACAGAGTATGAACACCTGGGC

TTAAGAAATCTAGTATTTCATGCTGGGAATGAGACATAGGCCATGAAAAAAATGATCCCCAAGTGTGAAC

AAAAGATGCTCTTCTGTGGACCACTGCATGAGCTTTTATACTACCGACCTGGTTTTTAAATAGAGTTTGC

TATTAGAGCATTGAATTGGAGAGAAGGCCTCCCTAGCCAGCACTTGTATATACGCATCTATAAATTGTCC

GTGTTCATACATTTGAGGGGAAAACACCATAAGGTTTCGTTTCTGTATACAACCCTGGCATTATGTCCAC

TGTGTATAGAAGTAGATTAAGAGCCATATAAGTTTGAAGGAAACAGTTAATACCATTTTTTAAGGAAACA

ATATAACCACAAAGCACAGTTTGAACAAAATCTCCTCTTTTAGCTGATGAACTTATTCTGTAGATTCTGT

GGAACAAGCCTATCAGCTTCAGAATGGCATTGTACTCAATGGATTTGATGCTGTTTGACAAAGTTACTGA

TTCACTGCATGGCTCCCACAGGAGTGGGAAAACACTGCCATCTTAGTTTGGATTCTTATGTAGCAGGAAA

TAAAGTATAGGTTTAGCCTCCTTCGCAGGCATGTCCTGGACACCGGGCCAGTATCTATATATGTGTATGT

ACGTTTGTATGTGTGTAGACAAATATTTGGAGGGGTATTTTTGCCCTGAGTCCAAGAGGGTCCTTTAGTA

CCTGAAAAGTAACTTGGCTTTCATTATTAGTACTGCTCTTGTTTCTTTTCACATAGCTGTCTAGAGTAGC

TTACCAGAAGCTTCCATAGTGGTGCAGAGGAAGTGGAAGGCATCAGTCCCTATGTATTTGCAGTTCACCT

GCACTTAAGGCACTCTGTTATTTAGACTCATCTTACTGTACCTGTTCCTTAGACCTTCCATAATGCTACT

GTCTCACTGAAACATTTAAATTTTACCCTTTAGACTGTAGCCTGGATATTATTCTTGTAGTTTACCTCTT

TAAAAACAAAACAAAACAAAACAAAAAACTCCCCTTCCTCACTGCCCAATATAAAAGGCAAATGTGTACA

TGGCAGAGTTTGTGTGTTGTCTTGAAAGATTCAGGTATGTTGCCTTTATGGTTTCCCCCTTCTACATTTC

TTAGACTACATTTAGAGAACTGTGGCCGTTATCTGGAAGTAACCATTTGCACTGGAGTTCTATGCTCTCG

CACCTTTCCAAAGTTAACAGATTTTGGGGTTGTGTTGTCACCCAAGAGATTGTTGTTTGCCATACTTTGT

CTGAAAAATTCCTTTGTGTTTCTATTGACTTCAATGATAGTAAGAAAAGTGGTTGTTAGTTATAGATGTC

TAGGTACTTCAGGGGCACTTCATTGAGAGTTTTGTCTTGGATATTCTTGAAAGTTTATATTTTTATAATT

TTTTCTTACATCAGATGTTTCTTTGCAGTGGCTTAATGTTTGAAATTATTTTGTGGCTTTTTTTGTAAAT

ATTGAAATGTAGCAATAATGTCTTTTGAATATTCCCAAGCCCATGAGTCCTTGAAAATATTTTTTATATA

TACAGTAACTTTATGTGTAAATACATAAGCGGCGTAAGTTTAAAGGATGTTGGTGTTCCACGTGTTTTAT

Page 155: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

143

TCCTGTATGTTGTCCAATTGTTGACAGTTCTGAAGAATTCTAATAAAATGTACATATATAAATCAAAAAA

AAAAAAAAAA

>gi|262050643|ref|NM_001166484.1| Bos taurus v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog (KIT), mRNA

CTTGGCGCTCGCGGCTCTGGGGGCTCGGCTTTGCCGCGCTCCCGGCACTCGGGCGAGAGCCGGAACGTGG

AACAGAGCTCCGGTCCCAGCGCAGCCACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATTTCCTCTTCGT

TCTGCTGCTCCTGCTCCTCGTCCAGACAGGCTCTTCTCAGCCATCTGTGAGTCCAGGGGAACTGTCTCTA

CCATCTATCCACCCAGCAAAATCAGAGTTAATTGTCAGCGTTGGCGACGAGATTAGGCTGTTATGCACCG

ATCCAGGATTTGTCAAGTGGACTTTTGAGATCCTGGGTCAACTGAGTGAGAAAACAAACCCGGAATGGAT

CACCGAGAAAGCAGAGGCCACAAATACAGGCAATTACACGTGCACCAATAAAGGCGGCTTGAGCAGTTCC

ATTTATGTGTTTGTTAGAGACCCCGAGAAGCTTTTCCTGATTGACCTTCCCTTGTACGGGAAAGAAGAAA

ACGACACGCTGGTTCGCTGTCCCCTGACAGACCCCGAGGTGACCAATTACTCTCTTACGGGGTGTGAGGG

GAAACCTCTCCCCAAGGATTTGACATTTGTGGCCGACCCCAAGGCAGGTATCACAATCAGAAATGTGAAG

CGCGAGTACCATCGGCTCTGTCTGCACTGCTCAGCGAATCAGAGGGGCAAGTCCATGCTGTCGAAGAAAT

TCACTCTGAAAGTGCGGGCAGCCATCAAAGCTGTGCCAGTTGTGTCTGTGTCCAAAACCAGCTATCTTCT

CAGGGAAGGAGAGGAATTTGCAGTGACATGCTTGATTAAAGACGTGTCTAGTTCCGTGGACTCTATGTGG

ATAAAGGAAAACAGCCAGCAGACTAAAGCACAGATGAAGAAGAATAGCTGGCATCAGGGTGACTTCAGTT

ATCTCCGTCAGGAAAGGTTGACTATCAGCTCAGCAAGAGTGAATGATTCCGGTGTGTTCATGTGTTACGC

CAATAACACTTTTGGATCAGCAAATGTCACAACAACCTTAGAAGTAGTAGATAAAGGATTCATTAATATC

TTCCCTATGATGAACACAACAGTATTTGTAAATGATGGAGAGAATGTGGATCTGGTTGTTGAATATGAGG

CATATCCCAAACCTGTACACCGACAATGGATATATATGAACAGAACCTCCACTGATAAGTGGGACGATTA

TCCTAAGTCTGAAAATGAAAGTAATATCAGATACGTAAATGAACTTCATCTAACCAGATTAAAAGGGACT

GAAGGAGGCACTTACACATTTCACGTGTCCAATTCTGATGTCAATTCTTCCGTGACATTTAATGTTTACG

TGAACACAAAACCAGAAATCCTGACGCATGACAGGCTGGTGAATGGCATGCTACAGTGCGTGGCCGCAGG

GTTCCCGGAGCCAACCATCGATTGGTACTTTTGTCCAGGAACTGAGCAGAGGTGTTCTGTTCCCGTTGGG

Page 156: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

144

CCAGTGGATGTACAGATCCAAAACTCATCTGTCTCACCATTTGGAAAACTAGTGGTTTATAGCACCATTG

ATGACAGCACATTCAAACACAATGGGACGGTGGAGTGCAGGGCTTATAACGATGTGGGCAAGAGTTCTGC

CTCTTTTAACTTTGCATTTAAAGGTAACAGCAAAGAACAAATCCATGCTCACACCCTGTTCACGCCGTTG

CTGATTGGTTTTGTGATCGCAGCTGGTTTAATGTGTATCTTCGTGATGATTCTTACATACAAATATTTGC

AGAAACCCATGTATGAAGTACAGTGGAAAGTTGTCGAGGAGATAAATGGAAACAATTATGTTTACATAGA

CCCAACACAACTTCCTTATGATCACAAATGGGAGTTTCCCAGGAACAGGCTGAGTTTTGGGAAAACCCTG

GGTGCTGGCGCCTTCGGGAAAGTTGTTGAGGCCACCGCTTATGGCTTAATTAAATCAGATGCAGCCATGA

CTGTTGCTGTCAAGATGCTCAAACCAAGCGCCCATTTAACCGAACGAGAAGCCCTAATGTCTGAACTCAA

AGTCTTGAGTTACCTCGGTAATCATATGAATATTGTGAATCTTCTGGGAGCGTGCACCATTGGAGGGCCC

ACCCTGGTCATTACAGAATATTGTTGCTATGGTGATCTTCTGAATTTTTTGAGAAGAAAACGTGATTCAT

TTATTTGCTCAAAGCAGGAAGATCACGCCGAAGTGGCGCTTTATAAGAACCTTCTTCATTCAAAGGAGTC

TTCCTGCAATGATAGTACTAATGAGTACATGGACATGAAACCTGGAGTTTCTTATGTTGTACCAACCAAG

GCAGACAAGAGGAGATCTGCAAGAATAGGTTCATACATAGAAAGAGACGTGACTCCTGCTATCATGGAAG

ATGATGAGCTGGCCCTGGACCTGGAGGACTTGCTGAGCTTTTCTTACCAGGTGGCAAAAGGCATGGCGTT

CCTTGCCTCAAAGAATTGTATTCATAGAGACTTGGCAGCCAGAAATATCCTCCTTACTCATGGTCGAATC

ACAAAGATTTGTGATTTTGGTCTAGCCAGAGACATCAAGAATGATTCTAATTATGTGGTCAAAGGAAACG

CTCGACTCCCTGTGAAGTGGATGGCACCAGAGAGTATTTTCAACTGTGTATACACATTTGAAAGTGATGT

CTGGTCCTATGGGATTTTTCTGTGGGAGCTGTTCTCTTTAGGAAGCAGCCCCTACCCTGGAATGCCAGTC

GATTCTAAGTTCTACAAGATGATCAAGGAAGGTTTCCGAATGCTCAGCCCCGAGCATGCACCTGCGGAAA

TGTATGACATCATGAAGACCTGCTGGGATGCTGATCCCTTGAAAAGGCCAACATTTAAGCAGATTGTGCA

GCTGATTGAGAAGCAGATCTCAGAGAGCACCAATCATATTTATTCCAACTTAGCAAACTGCAGCCCCCAC

CGGGAGAACCCCGCCGTGGACCATTCTGTGCGCATCAACTCTGTGGGCAGCAGCGCCTCCTCCACGCAGC

CTCTGCTTGTCCACGAAGATGTCTGAAGCAGTCTGCATCTGGGGGTCTCCTGACAACCCCGAACCCCCTC

TCTTTTGGTTTTCACAATGGTTCCTTTGTTTTCCTTCCACTCGAATCCTACTCCAGGGTAGTGGACACCC

TGATGTAATCCTGTCTTTATGAGCACCCTTTAGTGGCTGATGATTTTTGTCATCAGCTACCATCAAGCTG

Page 157: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

145

CCTATGTTCCTAATAGCACACAAGCCCCTGCTAACAAGGAAACTTCAGACTTGGAGAAAGGGAGGGTGGG

ATGGACTAGACACACTGAGTCCTTCCCAAGGTTTCTCCAATTTCTATCTGAAAAATGTAGTTGATAGTTT

TGAGTACATAGCAGTAGTCACCTTCATTCCTCATAATCATCCATGATGGTATGATGATGTAGCAAGACTA

GAAGCTGAAACCTTATCCCTTGATGCGGAAAATAGAATGTTATTCAAAGGCCAGAAGCCTATGAATATCT

GGGCTCACGAAATCTAGTATTTCATGCTGGGAGTAAGACATAGGCCATGGAAAAATGTTCTCCAGGCCTG

AATAAAGACTGCTGGGCATGAGCCTTCGTGCTTCTGACCTGGTTTCTAAATCAAATTCACTAATAGTAGC

TGAATTGGAGAGATGGCCTCCCAGCCCACATTTTGTATATACTCATCTATAAATTGTATGCATTCACATA

TTTGAGGGGGGAAAACCCACAAGGTGTAGTTTCTGAATACAATTCTGGCTTGAGTCTGCTGTGTATAGGA

ATAACTGATGAGCCAGAACAAGTTTGAAGGAAACAGTGCTTTAAAAAAAAAAAATTATTGCCAAGCACAG

TCTTAACAAAAATCTCCTTTTGTAGCCGATGAACTTGCTCTAGAGATTGTCCAGAACAAGCCGACCAGCT

TCAGAATGTCATCGTGTTCAGTGGATTTGATGCCGTTTGAAAAAGTGATTTATTGCATGACTCTGGCAGG

AGTGACAACCAGTGCTATCTTAGTTTGGATTCTTCTGTAGCCAAAAATAAACTTTAGATTCAGCCTCCAT

CACAGGCATGTCCTGGACACCTGGCCAGTATCTATATAAGTGTGTATGTGTGTGTGTGTATGTATGCTTG

TAGACAAAATATTTTGGGAGTAGTCTTGCCTTGAGCCCAGAAGGGTCCTTCAGCACCCAAGAAGTAGCCT

GGCTTTCAGCAGCAGCCCAGCTTTTGTTTCACTTCACCTTGCTGTATAGGGAAGCTTACCAAAAGCCTAC

ATAGAGGAGTGCTTAAGTCCATATTTATTTGCAATCCACCTGCACTTAAGGCACTCTGTTACTTATACTC

AACATACTGTACCTGTTCCTTAGACCTTATTAATGCTACTGTCCTACTGAAACATATTTCAGTTCTATCT

ACCCTTTAGGCTGTAGCCTGGATATTATTCTTAGTGTTACCTGTTTGTTTGTTTGTTTTTTTTTTTTGCC

TCTACCCAATTATAAGAGGTCCATGGGTACATGGCAGGGTTTATGTTGTCTCGCAGGATTCAGGTATGCT

GCCCTCACGGTTTTCCCCTCCTAGGTGTCTTTGCTTTCATTTAGAGAACTGTGGCCATTTATCTGAAAGT

AACCATTTGCACTGGAGTTCTATGCTCTCGCACCTTTCCAAAGGTAACAGGTTGGGGCGTTTTGTTGCTA

ATGTAAGACGTTTTTGCTGTTTGCCACACTTTGTCTGAAAATTTTCTTTACGTTTCTATTGACTTTGGTT

ATAGTAAGAAAAGTGGTTGTTAATTGTAGATGTCTAGGTACTTCAGGGGCACTTCACTGAGAGTTTTGTC

TTGGATATTCTTGAAAGTTTATATTTTTATAATTTTTTTTTTTTTTACATCTGATGTTTCTTTGCAGTAG

CTTTATGTTTGAAATTATTTTGTGGCTTTTTTTTTTGTAAATATTGAAATGTAGCAATAATGTCTTTTGA

Page 158: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

146

ATATTCCCAATCCCATGAGTCCTTGAAAATATTTTTTATATATACAGTAACTTTATGTGTAAATATGTAA

GCGGTGCAGGTTTAAAGGTTGTTTATGTTCTATGTGTTTTTTTCCTGATACGTTGTCCAACTGTTCACAG

TTCTAAAGAATTCTAATAAAAGTGTAAATATAAA

>gi|45383437|ref|NM_204361.1| Gallus gallus v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog (KIT), mRNA

CATGGAGGGCGCGCACCTCGCCTGGGAGCTGGCGCACGCCGTGCTGCTGCTGAGCCTCATCCCCGCAGGT

GGTTCAGTGCCTCATGAAGAATCCTCGCTGGTTGTGAACAAAGGGGAGGAGTTAAGGCTGAAGTGCAATG

AGGAAGGACCCGTGACTTGGAATTTCCAGAACTCAGATCCATCGGCAAAAACAAGGATTTCCAATGAGAA

GGAATGGCACACCAAAAATGCAACAATCAGAGACATAGGCAGATATGAGTGCAAAAGCAAAGGGAGTATT

GTCAACTCTTTCTATGTTTTTGTTAAAGATCCAAATGTGCTCTTCCTTGTTGATTCTCTGATCTATGGGA

AAGAAGACAGTGACATCCTGCTGGTGTGCCCACTAACAGATCCAGATGTTTTAAACTTCACCCTGAGAAA

ATGCGATGGCAAACCTCTCCCCAAAAACATGACATTCATTCCCAATCCACAGAAGGGTATCATTATAAAG

AACGTACAGAGGTCATTCAAGGGCTGCTACCAGTGTTTGGCAAAGCATAATGGAGTTGAGAAAATATCAG

AGCACATTTTCCTGAATGTGAGACCAGTTCACAAAGCTCTTCCAGTCATTACCTTATCCAAAAGCTATGA

GCTTCTCAAAGAAGGGGAAGAATTTGAAGTTACATGCATAATCACGGATGTGGATAGCAGCGTAAAAGCT

AGTTGGATTTCTTACAAAAGTGCGATTGTTACAAGCAAAAGCAGAAATTTGGGTGATTACGGATACGAAA

GGAAATTAACATTGAACATCCGTTCAGTGGGAGTTAATGATTCTGGAGAATTCACATGCCAAGCAGAGAA

CCCTTTCGGAAAAACCAATGCCACGGTAACCTTGAAAGCACTAGCTAAAGGATTTGTCCGTTTGTTTGCA

ACAATGAATACCACAATTGACATAAATGCAGGACAAAATGGAAATTTAACAGTTGAATATGAGGCGTATC

CAAAACCAAAGGAAGAAGTCTGGATGTACATGAACGAAACATTGCAGAATTCATCGGACCATTATGTCAA

GTTCAAGACTGTGGGCAATAACAGTTATACAAGCGAACTTCACCTTACCCGATTAAAAGGAACAGAGGGA

GGCATTTACACATTTTTTGTGTCCAACTCAGATGCCAGCTCCTCTGTAACATTTAATGTCTACGTGAAAA

CAAAACCAGAGATCCTTACCTTGGATATGCTCGGCAATGACATTCTTCAGTGTGTGGCAACTGGATTCCC

AGCCCCTACCATTTACTGGTATTTTTGCCCAGGAACTGAACAGAGGTGTTTAGACTCACCAACGATATCC

CCCATGGATGTGAAAGTCAGTTACACAAACTCATCGGTGCCATCCTTTGAGCGGATCCTGGTCGAGAGCA

Page 159: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

147

CTGTGAACGCCAGCATGTTCAAGAGCACTGGTACCATCTGCTGTGAGGCATCCAGCAATGGTGACAAGAG

CTCTGTTTTCTTTAACTTTGCTATTAAAGAGCAAATCCGTACCCACACCCTTTTCACACCTTTACTAATC

GCATTTGGGGTCGCCGCTGGACTGATGTGCATCATAGTCATGATCCTGGTGTACATATATTTGCAGAAAC

CCAAATATGAAGTCCAGTGGAAAGTTGTTGAAGAAATAAATGGAAACAACTATGTTTACATAGACCCAAC

GCAACTTCCTTATGATCACAAATGGGAGTTTCCTAGAAACCGGTTGAGTTTTGGTAAAACCCTTGGTGCT

GGAGCTTTTGGAAAGGTTGTTGAAGCCACTGCTTATGGCCTATTTAAATCTGATGCCGCTATGACAGTAG

CAGTGAAAATGTTGAAACCAAGCGCCCATTTAACTGAAAGAGAAGCCTTGATGTCAGAGCTAAAAGTTCT

CAGTTACCTTGGTAACCACATTAATATTGTGAATCTACTTGGAGCTTGCACTATTGGAGGGCCCACGCTG

GTCATTACAGAATATTGCTGCTATGGCGATCTCTTAAATTTCCTGAGGCGGAAGCGAGATTCATTCATTT

GTCCAAAGCATGAAGAGCACGCAGAAGCAGCTGTTTATGAGAACCTTTTGCACCAGGCAGAGCCCACAGC

GGATGCTGTCAATGAGTACATGGACATGAAACCAGGAGTGTCATATGCTGTTCCCCCAAAAGCTGATAAA

AAAAGGCCGGTGAAATCTGGATCTTACACCGATCAGGATGTTACCCTTTCCATGTTGGAAGATGACGAAC

TTGCTCTAGATGTTGAAGATCTATTAAGCTTCTCTTACCAGGTGGCAAAGGGCATGAGCTTCCTGGCCTC

TAAAAACTGCATTCATAGGGATCTGGCAGCAAGAAATATTCTTCTCACTCATGGTCGAATAACAAAAATC

TGTGACTTTGGTCTGGCAAGAGATATAAGGAATGACTCAAATTACGTGGTTAAAGGAAATGCTCGTCTCC

CTGTGAAGTGGATGGCACCTGAAAGCATTTTCAACTGCGTTTACACCTTCGAGAGTGATGTCTGGTCTTA

TGGAATATTGCTTTGGGAACTCTTCTCCTTAGGAAGCAGCCCTTACCCAGGGATGCCCGTGGACTCCAAG

TTCTATAAAATGATCAAGGAGGGATATCGGATGTTCAGCCCCGAGTGCTCACCCCCCGAAATGTACGACA

TAATGAAGAGTTGCTGGGATGCCGATCCCTTGCAGAGACCCACATTCAAACAGATCGTGCAGCTGATAGA

ACAGCAGCTTTCCGATAATGCCCCCCGGGTGTATGCAAACTTTTCCACTCCGCCTTCCACTCAAGGCAAT

GCTACAGATCATTCGGTGAGGATTAACTCAGTGGGTAGCAGCGCTTCATCTACTCAGCCCCTCCTGGTAC

GCGAAGATGTTTGAGTGGCATCTGGAAGAAGAGGAGCCCAGCTGTACTTGCTGTTTGTATTGTGTAGGGG

GTGAGAGAGGGAGGACTTCTATTTCTTTTACTTTTACTCACTACTACCACTGTGTAGCTGAAATGTTGTT

GTAATACTGTCCTTTACCACACACTGTTACACATAAACTTAATGTGCTGAGCACGGTTACAGGCATCATT

GCAATGTTAACTGAAGCTGTATATATTTTGCTATATTGTGTGTATTTGCAGTAGAGAGCCAGATCTGAAG

Page 160: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

148

AAGAAGAACAAAAAAACACAAAAGAAACCCTGGGCCAGGGTGTTGAATGAGATGACTACAGATTGAACCA

AATCTGCAGCGGTCCTTCTCTGGATCCATGCTTGGGAAGCGTGTAGTCATTTTCCAGTTAATTTTGTTTT

GTTGAATTTAAGAAATAAACAGATATAAAGCAAAGTGCTTTGCAAACCCCTTTCCATATCCAGCCACACC

TGAGATGCTTTCCCCGGCAGACACTGCAGGTTGGAGGCCAGGAGGGACAGACAGTGCGTCCGTGGGCAAG

AAGTGGAAGCCAAGGGATGGACATGGGCAATACAACAGAGAACTTCCAGACACTCTGGGGCATGAGGCAG

ATCTGGAAGGGAAAGACCTCAGTCTTTATTTCCTACCTGGGCAGTCAGCAGTGCAGAGCAGTCAGTAGGT

TTCTGTGGGTGCCTGCACCACATCCCACTGGCATTCCACCACGGAGCATCCACCGCAGTCAGAATCGCAG

GGATGAGATGCTTGGTTTGCTAAGAGTCATGTCCAAAAGCATTCACCAAAGATAGGTGGGCTCTGCTGAG

CTGGTCAAATGACAGGAGGAGGGTTGCTTACAGTAAATGGAGTGTCAGAGGAGCAGAGGCCGTTTAACGA

GACATCTTATCTTGGCAGGAGCAGAAGCAAAAAATTCTATCCTGAGGGCCCTTTGCTTATCTTATGATAT

GCAGGTGAATATTTCCCACAGGCTGGCTTGGATAATGCTCTCAGGAAAGGGCTCTTCCTCCCACAAGTCA

TTTCATCTTTCTATCTCTGTAGTGGTGCTGAGATCCCAGAGAAGAACTTCACTGGGAAGCATCGAATTTT

TTAATGGAATAGAACAATGTATACCTTCGGTCTTGTTTGGAGGCAGATATGAGGCTGTGGGGTCAGTTTC

TGTTGGGCCTGGGATTGTGCTTAAGTATCTTATAATTCCTTTTCTTCCTGTTGGAAACACTGTTGGTTCT

TTTTTTTTTTTTTTTTTTAACCCTTGTTCTGTCGCCTTTAAATTAGTAAATGCGTCAAGAGGAGCATTTT

TCAGACAGAGAGTACCAGTTAAGTACCTATTTATTTACATTGCACTTAAGCACTCTGTAACTTATGTTTT

ACCAGGATTTTGGTTGAGTTTACATGCATTTTAAATGTGTAACTAACTGCCCAAAATGCAAGACGATTGT

AAATACACACACTGGTAGTACATTTTAGGTAGTGTTGAATACCACACTCTTTATATGCCTGTGCATTTGG

TTTATTGTTACAGGAATTCATCTTTCAGAGTTAGTCGAGAAGTAGCCATTTGCACTGAACTTACTTAGGC

TGTTGCACCTTTCCAAAGTTAGCCAGTTGTTTGGAGGCACTCTTATGCATACTTGTTGTTGAGCATTTTC

AGTTTAATGCTATAAAAGCTCTTTCGTAGTGTGTTGGCTTTCAGAGCAACTGTAGACAAACTAGTTTTAT

AATCATAGATGTCTTGGTACTTTATGGACATTTAGCTGAAAAAAGTTTGGGTTTTTTCTTTCTTAAAATT

TATATTTTTATAATTTGGGGGGGGTTGAAACTTATTTTGCAATGGCTTAGTGTTTGAATGGTTTTATGCA

TTGTTTTTGTAAATATGGAAATGTAGCAATAATGTCCTTTTGACTATTCTCAGTCCTTGAGTCTCAAAAA

TATTTATATATATATATATATGCAAAAACTATATGTATAAATATGTAAGTGTTCAAAAGTTTATGAAACA

Page 161: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

149

CTTATGGATATGTTGCTCGGTTGTAGAATTGCAGTTCAGAAGAGTTCAAATAAATCTGTAAATATGTATT

CAGATGCTACCGATGTGTACTATGTTAAGATGGAATATTTTCATGTAAGTCTTAATAAATTCTTGGGTTG

AAGC

>gi|50423|emb|Y00864.1| Mouse c-kit mRNA

GAGCTCAGAGTCTAGCGCAGCCACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATCTGCTCTGCGTCCTG

TTGGTCCTGCTCCGTGGCCAGACAGCCACGTCTCAGCCATCTGCAAGTCCAGGGGAGCCGTCTCCGCCAT

CCATCCATCCAGCACAATCAGAGTTAATAGTTGAAGCTGGCGACACCCTCAGCCTGACGTGCATTGATCC

CGACTTTGTCAGATGGACTTTCAAGACCTATTTCAATGAAATGGTTGAGAATAAAAAAAATGAATGGATC

CAGGAAAAAGCCGAGGCCACTCGCACGGGCACATACACGTGCAGCAACAGCAATGGCCTCACGAGTTCTA

TTTACGTGTTTGTTAGAGATCCTGCCAAACTTTTCCTGGTTGGCCTTCCCTTGTTTGGCAAAGAAGACAG

CGACGCGCTGGTCCGCTGCCCTCTGACAGACCCACAGGTGTCCAATTATTCCCTCATCGAGTGTGATGGG

AAATCTCTCCCCACGGACCTGACGTTTGTCCCAAACCCCAAGGCTGGCATCACCATCAAAAACGTGAAGC

GCGCCTACCACCGGCTCTGTGTCCGCTGTGCTGCTCAGCGTGACGGTACATGGCTGCATTCTGACAAATT

CACCCTCAAAGTGCGGGAAGCCATCAAGGCTATCCCTGTTGTGTCTGTGCCTGAAACAAGTCACCTCCTT

AAGAAAGGGGACACATTTACGGTGGTGTGCACCATAAAAGATGTGTCTACATCCGTGAACTCCATGTGGC

TAAAGATGAACCCTCAGCCTCAGCACATAGCCCAGGTAAAGCACAATAGCTGGCACCGGGGTGACTTCAA

TTATGAACGCCAGGAGACGCTGACTATCAGCTCGGCAAGAGTTGACGATTCTGGAGTGTTCATGTGTTAT

GCCAATAATACTTTTGGATCAGCAAATGTCACAACAACCTTGAAAGTAGTAGAAAAAGGATTCATCAACA

TCTCCCCTGTGAAGAACACTACAGTATTTGTAACCGATGGAGAAAACGTAGATTTGGTTGTTGAATACGA

GGCCTACCCCAAACCCGAGCACCAGCAGTGGATATATATGAACAGGACCTCGGCTAACAAAGGGAAGGAT

TATGTCAAATCTGATAACAAAAGCAACATCAGATATGTGAACCAACTTCGCCTGACCAGATTAAAAGGCA

CAGAAGGAGGCACTTATACCTTTCTGGTGTCCAACTCTGATGCCAGTGCTTCCGTGACATTCAACGTTTA

CGTGAACACAAAACCAGAAATCCTGACGTACGACAGGCTCATAAATGGCATGCTCCAGTGTGTGGCAGAG

GGATTCCCGGAGCCCACAATAGATTGGTATTTTTGTACAGGAGCAGAGCAAAGGTGTACCACTCCTGTCT

Page 162: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

150

CACCAGTGGACGTACAGGTCCAGAATGTATCTGTGTCACCATTTGGAAAACTGGTGGTTCAGAGTTCCAT

AGACTCCAGCGTCTTCCGGCACAACGGCACGGTGGAGTGTAAGGCCTCCAACGATGTGGGCAAGAGTTCC

GCCTTCTTTAACTTTGCATTTAAAGAGCAAATCCAGGCCCACACTCTGTTCACGCCGCTGCTCATTGGCT

TTGTGGTCGCAGCTGGCGCGATGGGGATCATTGTGATGGTGCTCACCTACAAATATTTGCAGAAACCCAT

GTATGAAGTACAATGGAAGGTTGTCGAGGAGATAAATGGAAACAATTATGTTTACATAGACCCGACGCAA

CTTCCTTATGATCACAAATGGGAGTTTCCCAGAAACAGGCTGAGTTTTGGAAAGACATTGGGAGCTGGTG

CCTTCGGGAAGGTCGTTGAGGCCACTGCATATGGCTTGATTAAGTCGGATGCTGCCATGACAGTTGCCGT

GAAGATGCTCAAACCAAGTGCCCATTTAACAGAAAGAGAGGCCCTAATGTCGGAACTGAAGGTCCTGAGC

TACCTGGGCAATCACATGAATATTGTGAACCTGCTTGGCGCATGCACGGTGGGAGGGCCCACCCTGGTCA

TTACAGAATATTGTTGCTATGGTGATCTTTTGAATTTTTTGAGAAGGAAGCGTGACTCGTTTATTTTCTC

AAAGCAAGAAGAGCAGGCAGAAGCGGCACTTTATAAGAACCTTCTGCACTCAACGGAGCCTTCCTGTGAC

AGTTCAAATGAATATATGGACATGAAGCCTGGCGTTTCCTACGTGGTGCCAACCAAGACAGACAAGAGGA

GATCCGCAAGAATAGACTCGTACATAGAAAGAGACGTGACTCCTGCCATCATGGAAGATGACGAGCTGGC

TCTGGACCTGGATGATTTGCTGAGCTTCTCCTACCAGGTGGCCAAGGCGATGGCGTTCCTCGCCTCCAAG

AATTGTATTCACAGAGATTTGGCAGCCAGGAATATCCTCCTCACTCACGGGCGGATCACAAAGATTTGCG

ATTTCGGGCTAGCCAGAGACATCAGGAATGATTCGAATTACGTGGTCAAAGGAAATGCACGACTGCCCGT

GAAGTGGATGGCACCAGAGAGCATTTTCAGCTGCGTGTACACATTTGAAAGTGATGTCTGGTCCTATGGG

ATTTTCCTCTGGGAGCTCTTCTCCTTAGGAAGCAGCCCCTACCCAGGGATGCCGGTCGACTCCAAGTTCT

ACAAGATGATCAAGGAAGGCTTCCGGATGGTCAGCCCGGAGCACGCGCCTGCCGAAATGTATGACGTCAT

GAAGACTTGCTGGGACGCTGACCCCTTGAAAAGGCCAACATTCAAGCAGGTTGTCCAACTTATTGAGAAG

CAGATCTCGGACAGCACCAAGCACATTTACTCCAACTTGGCAAACTGCAACCCCAACCCAGAGAACCCCG

TGGTGGTGGACCATTCCGTGAGGGTCAACTCGGTGGGCAGCAGCGCCTCTTCTACGCAGCCCCTGCTCGT

GCACGAAGATGCCTGAGCAGAAACCCAAGTCCAACAGGCTTTGCTGCTGTCTCCGACCCCGTCCTTCTGG

CTTCTGTGATGGTTACTTGGTTTCCCTTTGACTTGCATCCTATTCCAGGGTAGCGAGTTCCCCACCCCAC

CTCCAACCCCACTGTGATTCCGCCTTTACGAGCACACACTTTAGTGGCCGATGGCTTTTCTTTTCTGCCA

Page 163: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

151

TCAGCCACCGTCCCGCTGCGAAGGTCCGAACTGTATGTATATATTTTCCCAATAGCAAAGTAGCTCCTAC

TGTAAACAGAAGGACTCCTCCTGCTTTAGAGGAGAAGGGAAGGGCGGGGTGAAACTGGATGCCCAGAGTT

CTTCCCCCAGTGCTCCCCTGAGTGTATTTGAAAAGTATGGCCAGTAGTTCACTTGAAGAATAGATGTAGT

CCCATTTGGCCCTGAGAGCCATCCTTAATGATGGGAGATATATGTAGCAAGACTAGAAAGCCAAGCCCTT

TGTGTAGAAAGCAGACCATTCTTAGAACAGAGGGCAACGGGGCATCGGAAGTCTGGTCACGCTAAGAAGA

CCGAGGCTGAGAAGGAACAAGCCAGGGGAAGCGTGAACAATGATGCTCTGCTCTGGGCTGCCGCTCGGGC

TTCTGTACAACTGACCTGGTTTCTCAGTACTTTGCTGTCTGGGAGTAGCATTGGAATCAAGGCCTCCTCC

CTAGTCAGCCTTTGTATATACTCATCTATACGTTGTATGCGTTCATACTTTGGAGGAGGGATTTCCCACA

AGCTTTCGTTTCTGTGTACAGCCCTGGATTAGACCTACTGTGTGTAAGAATAGATTAAGAGCCATACATA

TTTGAAGGAAACAGTTAAATGTTTTTTGGTTGTGGTTGTTGTTGTTGTTGTTTTAAAGAAAAAAATGTAT

ATGCTAAGCACAATCTTTATAAGACCTCTTAGCCAACATACTTGCTCTGTCTACACTTCGGAACAAGCCT

TCCATGTCAGAGTGGCTTTGCAGGCAGGAGAACTGAGGCTGTTTGAAAAGGTTACCACAGGATGGAGAAA

ACAGTGCAGTCCTGGTTTGGATTCTCACATAGCAGGGAGCACAAGTTAAACTCGACCTTTTATAGGCACG

TCCCGGACATCGGGCCTGTATCTATTCAAGTGTGTATGTGTGTGCATGCGTGTGTCTATGCGTGTGGGTG

AGTTGTGTTGGGAAACTTGCCCTGCATCCCTGAGGGTCCTCCTTCAGGACCCAAGACGTAACAGCTTCTG

TCACCGCTCCTGTCTCTCCAGTTTCCCTGCATGTCGCTCACTGTCTAGAATTTACTCAAAGCCGCCACAG

AGGCTTAGCGGAGTGAAGTGCCGAAGGACCTCTTTATTTGGAGTCCTCCTGTATTTAACAACACTCTTAT

CGTAGACCCATTCATTAGACCTTATGTAATGCTGCCAATCCAGGGAAACAGATTTAAAGTGTACCCCGTA

GACAGGGCCCAGAGGTTCCCTTGTCCTTGCCCTCCCCCACACCACCCATGATCACTGTCCAACATAAAGG

GTTCAGTGTGTTACGTGGTCATGTGTTGTCCTTACAGGATTCAGGTATGTTGCCTTCACGGTTTTCCCCA

CCCCCTCCTGCCCTTTATCCTTTAGGCCGTGTGGCCATGAACCTGGAAGAAGTGATCGTTTCGACTTGAG

TGCTACACTCTTGCACCTTTCCAAAGTAAGCTGGTTTGGAGGTCCTGTGGTCATGTACGAGACTGTCACC

AGTTACCGCGCTCTGTTTGAAACATGTCTTTGTATTCCTAATGACTTCAGTTAGAGTAAGGAGAATAGCT

GTTAATATGGATGTCAGGTACTTAAGGGGCCACACCATTGAGAATTTTGTCTTGGATATTCTTGAAAGTT

TATATTTTTATAATTTTTTTTACATCAGATGTCAGATGTTTCTTTCAGTTGCTTGATGTTTGGAATTATT

Page 164: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

152

ATGTGGCTTTTTTTGTAAATATTGAAATGTAGCAATAATGTCTTTTGAATATTCCTGAGCCCATGAGTCC

CTGAAAATATTTTTTATATATACAGTAACTTTATGTGTAAATAATACGCTGTGCAAGTTTAAACATGTCA

CGTTACATGTGGGTTTTTTCTGATATGTTGTCCAACTGTTGACAGTTCTGAAGAATTC

>gi|114594737|ref|XM_517285.2| PREDICTED: Pan troglodytes v-kit Hardy-Zuckerman 4 feline

sarcoma viral oncogene homolog (KIT), mRNA

ATGAAGGAGCTGACAGCTCAGGCAGTCGCAGTCTGCCTGATTGTCCTAGATCTTCATCATGGCCCCTTTG

CAGGAGCCATAGAGACCCAGGGGGCCAGACGCCGCCGGGAAGAAGCGAGACCCGGGCGGGCGCGAGGGAG

GGGAGGCGAGGAGGGGCGTGGCCGGCGCGCAGAAGGAGGGCGCTGGGAGGAGGGGCTGCTGCTCGGCGC

T

CGCGGCTCTGGGGGCTCGGCTTTGCCGCGCTCGCTGCACTTGGGCGAGAGCTGGAACGTGGACCAGAGCT

CGGATCCCATCGCAGCTACCGCGATGAGAGGCGCTCGCGGCGCCTGGGATTTTCTCTGCGTTCTGCTCCT

ACTGCTTCGCGTCCAGACAGGCTCTTCTCAACCATCTGTGAGTCCAGGGGAACCGTCTCCACCATCCATC

CATCCAGGAAAATCAGACTTAATAGTCCGCGTGGGCGACGAGATTAGGCTGTTATGCACTGATCCGGGCT

TTGTCAAATGGACTTTTGAGATCCTGGATGAAACGAATGAGAATAAGCAGAATGAATGGATCACGGAGAA

GGCAGAAGCCACCAACACTGGCAAATACACGTGCACCAACAAACACGGCTTAAGCAATTCCATTTATGTG

TTTGTTAGAGATCCTGCCAAGCTTTTCCTTGTTGACCGCTCCTTGTATGGGAAAGAAGACAACGACACGC

TGGTCCGCTGTCCTCTCACAGACCCAGAAGTGACCAATTATTCCCTCAAAGGGTGCCAGGGGAAGCCTCT

TCCCAAGGACTTGAGGTTTGTTCCTGACCCCAAGGCGGGCATCATGATCAAAAGTGTGAAACGCGCCTAC

CATCGGCTCTGTCTGCATTGTTCTGTGGACCAGGAGGGCAAGTCAGTGCTGTCGGAAAAATTCATCCTGA

AAGTGAGGCCAGCCTTCAAAGCTGTGCCTGTTGTGTCTGTGTCCAAAGCAAGCTATCTTCTTAGGGAAGG

GGAAGAATTCACAGTGACGTGCACAATAAAAGATGTGTCTAGTTCTGTGTACTCAACGTGGAAAAGAGAA

AACAGTCAGACTAAACTACAGGAGAAATATAATAGCTGGCATCACGGTGACTTCAATTATGAACGTCAGG

CAACGTTGACTATCAGTTCAGCGAGAGTTAATGATTCTGGAGTGTTCATGTGTTATGCCAATAATACTTT

TGGATCAGCAAATGTCACAACAACCTTGGAAGTAGTAGATAAAGGATTCATTAATATCTTCCCCATGATA

AACACTACAGTATTTGTAAATGATGGAGAAAATGTAGATTTGATTGTTGAATATGAAGCATTCCCCAAAC

Page 165: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

153

CTGAACACCAGCAGTGGATCTATATGAACAGAACCTTCACTGATAAATGGGAAGATTATCCCAAGTCTGA

GAATGAAAGTAATATCAGATACGTAAGTGAACTTCATCTAACGAGATTAAAAGGCACCGAAGGAGGCACT

TACACATTCCTAGTGTCCAATTCTGACGTCAATGCTTCCATAGCATTTAATGTTTATGTGAATACAAAAC

CAGAAATCCTGACTTACGACAGGCTCGTGAATGGCATGCTCCAATGTGTGGCAGCAGGATTCCCAGAGCC

CACAATAGATTGGTATTTTTGTCCAGGAACTGAGCAGAGATGCTCTGCTTCTGTACTGCCAGTGGATGTG

CAGACACTAAACTCATCTGGGCCACCGTTTGGAAAGCTAGTGGTTCAGAGTTCTATAGATTCTAGTGCAT

TCAAGCACAATGGCACGGTTGAATGTAAGGCTTACAACGATGTGGGCAAGACTTCTGCCTATTTTAACTT

TGCATTTAAAGAGCAAATCCATCCCCACACCCTGTTCACTCCTTTGCTGATTGGTTTCGTAATCGTAGCT

GGCATGATGTGCATTATTGTGATGATTCTGACCTACAAATATTTACAGAAACCCATGTATGAAGTACAGT

GGAAGGTTGTTGAGGAGATAAATGGAAACAATTATGTTTACATAGACCCAACACAACTTCCTTATGATCA

CAAATGGGAGTTTCCCAGAAACAGGCTGAGTTTTGGGAAAACCCTGGGTGCTGGAGCTTTCGGGAAGGTT

GTTGAGGCAACTGCTTATGGCTTAATTAAGTCAGATGCGGCCATGACTGTCGCTGTGAAGATGCTCAAAC

CAAGTGCCCATTTAACAGAACGGGAAGCCCTCATGTCTGAACTCAAAGTCCTGAGTTACCTTGGTAATCA

CATGAATATTGTGAATCTACTTGGAGCCTGCACCATTGGAGGGCCCACCCTGGTCATTACAGAATATTGT

TGCTATGGTGATCTTTTGAATTTTTTGAGAAGAAAACGTGATTCATTTATTTGTTCAAAGCAGGAAGATC

ATGCAGAAGCTGCACTTTATAAGAATCTTCTGCATTCAAAGGAGTCTTCCTGCAGCGATAGTACTAATGA

GTACATGGACATGAAACCTGGAGTTTCTTATGTTGTCCCAACCAAGGCCGACAAAAGGAGATCTGCGAGA

ATAGGCTCATACATAGAAAGAGATGTGACTCCCGCCATCATGGAGGATGACGAGTTGGCCCTAGACTTAG

AAGACTTGCTGAGCTTTTCTTACCAGGTGGCAAAGGGCATGGCTTTCCTCGCCTCCAAGAATTGTATTCA

CAGAGACTTGGCAGCCAGAAATATCCTCCTTACTCATGGTCGGATCACAAAGATTTGTGATTTTGGTCTA

GCCAGAGACATCAAGAATGATTCTAATTATGTGGTTAAAGGAAACGCTCGACTACCTGTGAAGTGGATGG

CACCTGAAAGCATTTTCAACTGTGTATACACGTTTGAAAGCGACGTCTGGTCCTATGGGATTTTTCTTTG

GGAGCTGTTCTCTTTAGGAAGCAGCCCCTATCCTGGAATGCCGGTCGATTCTAAGTTCTACAAGATGATC

AAGGAAGGCTTCCGGATGCTCAGCCCTGAACACGCACCTGCTGAAATGTATGACATAATGAAGACTTGCT

GGGATGCAGATCCCCTAAAAAGACCAACATTCAAGCAAATTGTTCAGCTAATTGAGAAGCAGATTTCAGA

Page 166: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

154

GAGCACCAATCATATTTACTCCAACTTAGCAAACTGCAGCCCCAACCGACAGAAGCCCGTGGTGGACCAT

TCTGTGCGGATCAATTCTGTCGGCAGCACCGCTTCCTCCTCCCAGCCTCTGCTTGTGCACGACGATGTCT

GAGCAGAATCAGTGTTTGGGTCACCCCTCCAGGAATGATCTCTTCTTTTGGCTTCCATGATGGTTATTTT

CTTTTCTTTCAACTTGCATCCAACTCCAGGATAGTGGGCACCCCACTGCAATCCTGTCTTTCTGAGCACA

CTTCAGTGGCCGATGATTTTTGTCATCAGCCACCATCCTATTGCAAAGGTTCCAACTGTATATATTCCCT

ATAGCAACGTAGCTTCTACCATGAACAGAAAACATTCTGATTTGGAAAAAGAGAGGGAGGTATGGCACTG

GGGGCCAGAGTCCTTTCCAAGGCTTCTCCAATTCTGCCCAAAAATATGGTTGATAGTTTACCTGAATAAA

TGGTAGTAATCACAGTTGGCCTTCAGAACCATCCATAGTAGTATGATGATACAAGATTAGAAGCTGAAAA

CCTAAGTCCTTTATGTGGAAAACAGAACATCATTAGAACAAAGGACAGAGTATGAACACCTGGGCTTAAG

AAATCTAGTATTTCATGCTGGGAATGAGACATAGGCCATGAAAAAAGTGATCCCCAAGTGTGAACAAAAG

ATGCTCTTCTGTGGACCACTGCATGAGCTTTTATACTACCGACCTGGTTTTTAAATAGAGTTTGCTATTA

GAGCATTGAATTGGAGAGAAGGCCTCCCTAGCCAGCACTTGTATATACGCATCTATAAATTGTCCGTGTT

CATACATTTGAGGGGAAAACACCATAAGGTTTCGTTTCTGTATACAACCCTGGCATTATGTCCACTGTGT

ATAGAAGTAGATTAAGAGCCATATAAGTTTGAAGGAAACAGTTAATACCATTTTTTAAGGAAACAATATA

ACCACAAAGCACAGTTTGAACAAAATCTCCTCTTTTAGCTGATGAACTTATTCTGTAGATTCTGTGGAAC

AAGCCTATCAGCTTCAGAATGGCATTGTACTCAATGGATTTGATGCTGTTTGACAAAGTTACTGATTCAC

TGCATGGCTCCCACAGGAGTGGGAAAACACTGCTATCTTAGTTTGGATTCTTACGTAGCAGGAAATAAAG

TATAGGTTTAGCCTCCTTCGCAGGCATGTCCTGGACACCGGGCCAGTATCTATATATGTGTATGTACGTT

TGTATGTGTGTAGACAAGTATTTGGAGGGGTATTTTTGCCCTGAGTCCAAGAGGGTCCTTTAGTACCTGA

AAAGTAACTTGGCTTTCATTATTAGTACTGTTTTTGTTTCTTTTCACATAGCTGTCTAGAGTAGCTTACC

AGAAGCTTCCATAGTGGTGCAGAGGAAGTGGAAGGCATCAGTCCCTATGTATTTGCAGTTCACCTGCACT

TAAGGCATTCTGTTATTTAGACTCATCTTACTGTACCTGTTCCTTAGACCTTCCATAATGCTACTGTCTC

ACTGAAACATTTAAATTTTACCCTTTAGACTGTAGCCTGGATATTCTTGTAGTTTACCTCTTTAAAAACA

AAACAAAACAAAAAACTCCCCTTCCTCACTGCCCAATATAAAAGGCAAATGTGTACATGGCAGAGTTTGT

GTGTTGTCTTGAAAGATTCAGGTATGTTGCCTTTATGGTTTCCCCCTTCTACATTTCTTAGACTACATTT

Page 167: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

155

AGAGAACTGTGGCCGTTATCTGGAAGTAACCATTTGCACTGGAGTTCTATGCTCTCACACCTTTCCAAAG

TTAACAGATTTTGGGGTTGTGTTGTCACCCAAGAGATTGTTGTTTGCCATACTTTGTCTGAAAAATTCCT

TTGTGTTTCTATTGACTTCAATGATAGTAAGAAAAGTGGTTGTTAGTTATAGATGTCTAGGTACTTCAGG

GGCACTTCATTGAGAGTTTTGTCTTGGATATTCTTGAAAGTTTATATTTTTATAATTTTTTCTTACATCA

GATGTTTCTTTGCAGTGGCTTAATGTTTGAAATTATTTTGTGGCTTTTTTTGTAAATATTGAAATGTAGC

AATAATGTCTTTTGAATATTCCCAAGCCCACGAGTCCTTGAAAATATTTTTTATATATACAGTAACTTTA

TGTGTAAATACATAAGCGGCGTAAGTTTAAAGGATGTTGGTGTTCCACGTGTTTTATTCCTGTATGTTGT

CCAATTGTTGACAGTTCTGAAGAATTCTAATAAAATGTACATATATAAATCAAG

Page 168: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

156

ClustalW (ClustalW, 2009)

Page 169: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

157

Phylodraw (Phylogenetic Trees)

Phylogram_tree

radial_tree

Page 170: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

158

rectangle_Cladogram_tree

rooted_tree

Page 171: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

159

slated_Cladogram_tree

unrooted_tree

Page 172: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

160

Pair Distance

Label1 Label2 Distance

gi|148005048|ref|NM_000222.2| gi|114594737|ref|XM_517285.2| 0.011170

gi|148005048|ref|NM_000222.2| gi|262050643|ref|NM_001166484. 0.156400

gi|148005048|ref|NM_000222.2| gi|45383437|ref|NM_204361.1| 0.604780

gi|148005048|ref|NM_000222.2| gi|50423|emb|Y00864.1| 0.230490

gi|114594737|ref|XM_517285.2| gi|262050643|ref|NM_001166484. 0.156010

gi|114594737|ref|XM_517285.2| gi|45383437|ref|NM_204361.1| 0.604390

gi|114594737|ref|XM_517285.2| gi|50423|emb|Y00864.1| 0.230100

gi|262050643|ref|NM_001166484. gi|45383437|ref|NM_204361.1| 0.614480

gi|262050643|ref|NM_001166484. gi|50423|emb|Y00864.1| 0.240190

gi|45383437|ref|NM_204361.1| gi|50423|emb|Y00864.1| 0.623510

Average 0.347152 Variation 0.071059

Root Distance

Label Distance

gi|148005048|ref|NM_000222.2| 0.105880

gi|114594737|ref|XM_517285.2| 0.105490

gi|262050643|ref|NM_001166484. 0.115580

gi|45383437|ref|NM_204361.1| 0.498900

gi|50423|emb|Y00864.1| 0.124610

Average 0.190092 Variation 0.069124

Page 173: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

161

Page 174: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

162

Genpept Format (Genpept, 2009)

NCBI Reference Sequence: NP_000213.1

v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog isoform 1 precursor [Homo sapiens]

• Comment

• Features

• Sequence

LOCUS NP_000213 976 aa linear PRI 13-DEC-2009

DEFINITION v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog

isoform 1 precursor [Homo sapiens].

ACCESSION NP_000213

VERSION NP_000213.1 GI:4557695

DBSOURCE REFSEQ: accession NM_000222.2

KEYWORDS .

SOURCE Homo sapiens (human)

ORGANISM Homo sapiens

Eukaryota; Metazoa; Chordata; Craniata; Vertebrata; Euteleostomi;

Mammalia; Eutheria; Euarchontoglires; Primates; Haplorrhini;

Catarrhini; Hominidae; Homo.

REFERENCE 1 (residues 1 to 976)

AUTHORS Ganesh,S.K., Zakai,N.A., van Rooij,F.J., Soranzo,N., Smith,A.V.,

Nalls,M.A., Chen,M.H., Kottgen,A., Glazer,N.L., Dehghan,A.,

Kuhnel,B., Aspelund,T., Yang,Q., Tanaka,T., Jaffe,A., Bis,J.C.,

Verwoert,G.C., Teumer,A., Fox,C.S., Guralnik,J.M., Ehret,G.B.,

Rice,K., Felix,J.F., Rendon,A., Eiriksdottir,G., Levy,D.,

Patel,K.V., Boerwinkle,E., Rotter,J.I., Hofman,A., Sambrook,J.G.,

Page 175: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

163

Hernandez,D.G., Zheng,G., Bandinelli,S., Singleton,A.B., Coresh,J.,

Lumley,T., Uitterlinden,A.G., Vangils,J.M., Launer,L.J.,

Cupples,L.A., Oostra,B.A., Zwaginga,J.J., Ouwehand,W.H.,

Thein,S.L., Meisinger,C., Deloukas,P., Nauck,M., Spector,T.D.,

Gieger,C., Gudnason,V., van Duijn,C.M., Psaty,B.M., Ferrucci,L.,

Chakravarti,A., Greinacher,A., O'Donnell,C.J., Witteman,J.C.,

Furth,S., Cushman,M., Harris,T.B. and Lin,J.P.

TITLE Multiple loci influence erythrocyte phenotypes in the CHARGE

Consortium

JOURNAL Nat. Genet. 41 (11), 1191-1198 (2009)

PUBMED 19862010

REFERENCE 2 (residues 1 to 976)

AUTHORS Bodemer,C., Hermine,O., Palmerini,F., Yang,Y., Grandpeix-Guyodo,C.,

Leventhal,P.S., Hadj-Rabia,S., Nasca,L., Georgin-Lavialle,S.,

Cohen-Akenine,A., Launay,J.M., Barete,S., Feger,F., Arock,M.,

Catteau,B., Sans,B., Stalder,J.F., Skowron,F., Thomas,L.,

Lorette,G., Plantin,P., Bordigoni,P., Lortholary,O., Prost,Y.D.,

Moussy,A., Sobol,H. and Dubreuil,P.

TITLE Pediatric Mastocytosis Is a Clonal Disease Associated with D(816)V

and Other Activating c-KIT Mutations

JOURNAL J. Invest. Dermatol. (2009) In press

PUBMED 19865100

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

Publication Status: Available-Online prior to print

REFERENCE 3 (residues 1 to 976)

AUTHORS Akagi,T., Shih,L.Y., Ogawa,S., Gerss,J., Moore,S.R., Schreck,R.,

Kawamata,N., Liang,D.C., Sanada,M., Nannya,Y., Deneberg,S.,

Page 176: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

164

Zachariadis,V., Nordgren,A., Song,J.H., Dugas,M., Lehmann,S. and

Koeffler,H.P.

TITLE Single nucleotide polymorphism genomic arrays analysis of t(8;21)

acute myeloid leukemia cells

JOURNAL Haematologica 94 (9), 1301-1306 (2009)

PUBMED 19734423

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

REFERENCE 4 (residues 1 to 976)

AUTHORS Kwon,J.E., Kang,H.J., Kim,S.H., Lee,Y.C., Hyung,W.J., Noh,S.H.,

Kim,N.K. and Kim,H.

TITLE Pathological characteristics of gastrointestinal stromal tumours

with PDGFRA mutations

JOURNAL Pathology 41 (6), 544-554 (2009)

PUBMED 19900103

REMARK GeneRIF: Observational study of gene-disease association. (HuGE

Navigator)

REFERENCE 5 (residues 1 to 976)

AUTHORS Stec,R., Grala,B., Maczewski,M., Bodnar,L. and Szczylik,C.

TITLE Chromophobe renal cell cancer--review of the literature and

potential methods of treating metastatic disease

JOURNAL J. Exp. Clin. Cancer Res. 28, 134 (2009)

PUBMED 19811659

REMARK GeneRIF: Overexpression of CD117 on cellular membranes of

chromophobe renal cell carcinoma could be a potential target for

kinase inhibitors

Publication Status: Online-Only

REFERENCE 6 (sites)

Page 177: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

165

AUTHORS Lennartsson,J., Wernstedt,C., Engstrom,U., Hellman,U. and

Ronnstrand,L.

TITLE Identification of Tyr900 in the kinase domain of c-Kit as a

Src-dependent phosphorylation site mediating interaction with c-Crk

JOURNAL Exp. Cell Res. 288 (1), 110-118 (2003)

PUBMED 12878163

REFERENCE 7 (sites)

AUTHORS Thommes,K., Lennartsson,J., Carlberg,M. and Ronnstrand,L.

TITLE Identification of Tyr-703 and Tyr-936 as the primary association

sites for Grb2 and Grb7 in the c-Kit/stem cell factor receptor

JOURNAL Biochem. J. 341 (PT 1), 211-216 (1999)

PUBMED 10377264

REFERENCE 8 (sites)

AUTHORS Timokhina,I., Kissel,H., Stella,G. and Besmer,P.

TITLE Kit signaling through PI 3-kinase and Src kinase pathways: an

essential role for Rac1 and JNK activation in mast cell

proliferation

JOURNAL EMBO J. 17 (21), 6250-6262 (1998)

PUBMED 9799234

REFERENCE 9 (sites)

AUTHORS Kozlowski,M., Larose,L., Lee,F., Le,D.M., Rottapel,R. and

Siminovitch,K.A.

TITLE SHP-1 binds and negatively modulates the c-Kit receptor by

interaction with tyrosine 569 in the c-Kit juxtamembrane domain

JOURNAL Mol. Cell. Biol. 18 (4), 2089-2099 (1998)

PUBMED 9528781

REFERENCE 10 (sites)

AUTHORS Price,D.J., Rivnay,B., Fu,Y., Jiang,S., Avraham,S. and Avraham,H.

Page 178: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

166

TITLE Direct association of Csk homologous kinase (CHK) with the

diphosphorylated site Tyr568/570 of the activated c-KIT in

megakaryocytes

JOURNAL J. Biol. Chem. 272 (9), 5915-5920 (1997)

PUBMED 9038210

REFERENCE 11 (sites)

AUTHORS Blume-Jensen,P., Wernstedt,C., Heldin,C.H. and Ronnstrand,L.

TITLE Identification of the major phosphorylation sites for protein

kinase C in kit/stem cell factor receptor in vitro and in intact

cells

JOURNAL J. Biol. Chem. 270 (23), 14192-14200 (1995)

PUBMED 7539802

REFERENCE 12 (sites)

AUTHORS Serve,H., Hsu,Y.C. and Besmer,P.

TITLE Tyrosine residue 719 of the c-kit receptor is essential for binding

of the P85 subunit of phosphatidylinositol (PI) 3-kinase and for

c-kit-associated PI 3-kinase activity in COS-1 cells

JOURNAL J. Biol. Chem. 269 (8), 6026-6030 (1994)

PUBMED 7509796

REFERENCE 13 (residues 1 to 976)

AUTHORS Spritz,R.A., Droetto,S. and Fukushima,Y.

TITLE Deletion of the KIT and PDGFRA genes in a patient with piebaldism

JOURNAL Am. J. Med. Genet. 44 (4), 492-495 (1992)

PUBMED 1279971

REFERENCE 14 (residues 1 to 976)

AUTHORS Giebel,L.B., Strunk,K.M., Holmes,S.A. and Spritz,R.A.

TITLE Organization and nucleotide sequence of the human KIT (mast/stem

cell growth factor receptor) proto-oncogene

Page 179: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

167

JOURNAL Oncogene 7 (11), 2207-2217 (1992)

PUBMED 1279499

REFERENCE 15 (residues 1 to 976)

AUTHORS Andre,C., Martin,E., Cornu,F., Hu,W.X., Wang,X.P. and Galibert,F.

TITLE Genomic organization of the human c-kit gene: evolution of the

receptor tyrosine kinase subclass III

JOURNAL Oncogene 7 (4), 685-691 (1992)

PUBMED 1373482

REFERENCE 16 (residues 1 to 976)

AUTHORS Duronio,V., Welham,M.J., Abraham,S., Dryden,P. and Schrader,J.W.

TITLE p21ras activation via hemopoietin receptors and c-kit requires

tyrosine kinase activity but not tyrosine phosphorylation of p21ras

GTPase-activating protein

JOURNAL Proc. Natl. Acad. Sci. U.S.A. 89 (5), 1587-1591 (1992)

PUBMED 1371879

REFERENCE 17 (residues 1 to 976)

AUTHORS Spritz,R.A., Giebel,L.B. and Holmes,S.A.

TITLE Dominant negative and loss of function mutations of the c-kit

(mast/stem cell growth factor receptor) proto-oncogene in human

piebaldism

JOURNAL Am. J. Hum. Genet. 50 (2), 261-269 (1992)

PUBMED 1370874

COMMENT REVIEWED REFSEQ: This record has been curated by NCBI staff. The

reference sequence was derived from DC376760.1, X06182.1 and

BC071593.1.

Summary: This gene encodes the human homolog of the proto-oncogene

c-kit. C-kit was first identified as the cellular homolog of the

Page 180: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

168

feline sarcoma viral oncogene v-kit. This protein is a type 3

transmembrane receptor for MGF (mast cell growth factor, also known

as stem cell factor). Mutations in this gene are associated with

gastrointestinal stromal tumors, mast cell disease, acute

myelogenous lukemia, and piebaldism. Multiple transcript variants

encoding different isoforms have been found for this gene.

[provided by RefSeq].

Transcript Variant: This variant (1) represents the longer

transcript and encodes the longer isoform (1).

Publication Note: This RefSeq record includes a subset of the

publications that are available for this gene. Please see the

Entrez Gene record to access additional publications.

FEATURES Location/Qualifiers

source 1..976

/organism="Homo sapiens"

/db_xref="taxon:9606"

/chromosome="4"

/map="4q11-q12"

Protein 1..976

/product="v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog isoform 1 precursor"

/EC_number="2.7.10.1"

/note="mast/stem cell growth factor receptor;

proto-oncogene tyrosine-protein kinase Kit; soluble KIT

variant 1"

/calculated_mol_wt=109734

Page 181: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

169

Region 226..292

/region_name="ig"

/note="Immunoglobulin domain; pfam00047"

/db_xref="CDD:109116"

Region 230..304

/region_name="Ig"

/note="Immunoglobulin domain; cd00096"

/db_xref="CDD:143165"

Region 311..411

/region_name="Ig4_SCFR"

/note="Fourth immunoglobulin (Ig)-like domain of stem cell

factor receptor (SCFR); cd05860"

/db_xref="CDD:143268"

Site order(380..383,386)

/site_type="other"

/note="dimerization interface"

/db_xref="CDD:143268"

Site 545

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[9]

Site 547

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[9]

Region 553..928

Page 182: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

170

/region_name="PTKc_Kit"

/note="Catalytic Domain of the Protein Tyrosine Kinase,

Kit; cd05104"

/db_xref="CDD:133235"

Site 553

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[9]

Site 568

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[8]

/db_xref="HPRD:01287"

Site 570

/site_type="modified"

/experiment="experimental evidence, no additional details

recorded"

/note="dephosphorylation site"

/citation=[9]

/db_xref="HPRD:01475"

Site 570

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[8]

/db_xref="HPRD:01287"

Page 183: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

171

Region 589..892

/region_name="STYKc"

/note="Protein kinase; unclassified specificity;

smart00221"

/db_xref="CDD:128517"

Site order(595..601,603,621,623,671,673,677,792,796..797,799,

810,828..832,841,876)

/site_type="active"

/db_xref="CDD:133235"

Site order(595..596,598..601,603,621,623,671,673,677,796..797,

799,810)

/site_type="other"

/note="ATP binding site"

/db_xref="CDD:133235"

Site 703

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[7]

/db_xref="HPRD:01287"

Site 721

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[10]

Site 730

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

Page 184: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

172

recorded"

/citation=[12]

Site 741

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[11]

/db_xref="HPRD:01498"

Site 746

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[11]

/db_xref="HPRD:01498"

Site 747

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[12]

Site order(792,796,828..832,841,876)

/site_type="other"

/note="substrate binding site"

/db_xref="CDD:133235"

Site 809..830

/site_type="other"

/note="activation loop (A-loop)"

/db_xref="CDD:133235"

Site 821

Page 185: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

173

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[11]

/db_xref="HPRD:01498"

Site 900

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[6]

/db_xref="HPRD:01819"

Site 936

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[7]

/db_xref="HPRD:01287"

Site 959

/site_type="phosphorylation"

/experiment="experimental evidence, no additional details

recorded"

/citation=[11]

/db_xref="HPRD:01498"

CDS 1..976

/gene="KIT"

/gene_synonym="C-Kit; CD117; PBT; SCFR"

/coded_by="NM_000222.2:88..3018"

/note="isoform 1 precursor is encoded by transcript

Page 186: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

174

variant 1"

/db_xref="CCDS:CCDS3496.1"

/db_xref="GeneID:3815"

/db_xref="HGNC:6342"

/db_xref="HPRD:01287"

/db_xref="MIM:164920"

ORIGIN

1 mrgargawdf lcvlllllrv qtgssqpsvs pgepsppsih pgksdlivrv gdeirllctd

61 pgfvkwtfei ldetnenkqn ewitekaeat ntgkytctnk hglsnsiyvf vrdpaklflv

121 drslygkedn dtlvrcpltd pevtnyslkg cqgkplpkdl rfipdpkagi miksvkrayh

181 rlclhcsvdq egksvlsekf ilkvrpafka vpvvsvskas yllregeeft vtctikdvss

241 svystwkren sqtklqekyn swhhgdfnye rqatltissa rvndsgvfmc yanntfgsan

301 vtttlevvdk gfinifpmin ttvfvndgen vdliveyeaf pkpehqqwiy mnrtftdkwe

361 dypksenesn iryvselhlt rlkgteggty tflvsnsdvn aaiafnvyvn tkpeiltydr

421 lvngmlqcva agfpeptidw yfcpgteqrc sasvlpvdvq tlnssgppfg klvvqssids

481 safkhngtve ckayndvgkt sayfnfafkg nnkeqihpht lftplligfv ivagmmciiv

541 miltykylqk pmyevqwkvv eeingnnyvy idptqlpydh kwefprnrls fgktlgagaf

601 gkvveatayg liksdaamtv avkmlkpsah lterealmse lkvlsylgnh mnivnllgac

661 tiggptlvit eyccygdlln flrrkrdsfi cskqedhaea alyknllhsk esscsdstne

721 ymdmkpgvsy vvptkadkrr svrigsyier dvtpaimedd elaldledll sfsyqvakgm

781 aflaskncih rdlaarnill thgritkicd fglardiknd snyvvkgnar lpvkwmapes

841 ifncvytfes dvwsygiflw elfslgsspy pgmpvdskfy kmikegfrml spehapaemy

901 dimktcwdad plkrptfkqi vqliekqise stnhiysnla ncspnrqkpv vdhsvrinsv

961 gstasssqpl lvhddv

//

Page 187: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

175

Fasta Format of Protein (Protein-Fasta, 2009)

>gi|4557695|ref|NP_000213.1| v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene

homolog isoform 1 precursor [Homo sapiens]

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCT

DPGFVKWTFEI

LDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGK

EDNDTLVRCPLTD

PEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSE

KFILKVRPAFKA

VPVVSVSKASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGDF

NYERQATLTISSA

RVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEY

EAFPKPEHQQWIY

MNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNV

YVNTKPEILTYDR

LVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSI

DSSAFKHNGTVE

CKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYL

QKPMYEVQWKVV

EEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAA

MTVAVKMLKPSAH

LTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDS

FICSKQEDHAEA

ALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIM

EDDELALDLEDLL

SFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKG

NARLPVKWMAPES

IFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAE

MYDIMKTCWDAD

PLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPL

LVHDDV

Page 188: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

176

Page 189: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

177

Amino-Acid composition

Protein: gi|4557695|ref|NP_000213.1| v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog isoform 1 precursor [Homo sapiens]

Length = 976 amino acids

Molecular Weight = 109858.88 Daltons

Amino Acid Number Mol%

Ala A 55 5.64

Cys C 24 2.46

Asp D 53 5.43

Glu E 58 5.94

Phe F 43 4.41

Gly G 55 5.64

His H 22 2.25

Ile I 52 5.33

Lys K 66 6.76

Leu L 83 8.50

Met M 24 2.46

Asn N 54 5.53

Pro P 50 5.12

Gln Q 25 2.56

Arg R 40 4.10

Ser S 79 8.09

Thr T 59 6.05

Val V 78 7.99

Page 190: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

178

Trp W 14 1.43

Tyr Y 42 4.30

Page 191: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

179

Page 192: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

180

Prorparam and Protscale (Protparam, 2009)

Prorparam and Protscale

User-provided sequence:

10 20 30 40 50 60

GIREFNPVKI THARDYZUCK ERMANFELIN ESARCOMAVI RALONCOGEN EHOMOLOGIS

70 80 90 100 110 120

OFORMPRECU RSORHOMOSA PIENSMRGAR GAWDFLCVLL LLLRVQTGSS QPSVSPGEPS

130 140 150 160 170 180

PPSIHPGKSD LIVRVGDEIR LLCTDPGFVK WTFEILDETN ENKQNEWITE KAEATNTGKY

190 200 210 220 230 240

TCTNKHGLSN SIYVFVRDPA KLFLVDRSLY GKEDNDTLVR CPLTDPEVTN YSLKGCQGKP

250 260 270 280 290 300

LPKDLRFIPD PKAGIMIKSV KRAYHRLCLH CSVDQEGKSV LSEKFILKVR PAFKAVPVVS

310 320 330 340 350 360

VSKASYLLRE GEEFTVTCTI KDVSSSVYST WKRENSQTKL QEKYNSWHHG DFNYERQATL

370 380 390 400 410 420

TISSARVNDS GVFMCYANNT FGSANVTTTL EVVDKGFINI FPMINTTVFV NDGENVDLIV

430 440 450 460 470 480

EYEAFPKPEH QQWIYMNRTF TDKWEDYPKS ENESNIRYVS ELHLTRLKGT EGGTYTFLVS

490 500 510 520 530 540

NSDVNAAIAF NVYVNTKPEI LTYDRLVNGM LQCVAAGFPE PTIDWYFCPG TEQRCSASVL

550 560 570 580 590 600

PVDVQTLNSS GPPFGKLVVQ SSIDSSAFKH NGTVECKAYN DVGKTSAYFN FAFKGNNKEQ

610 620 630 640 650 660

IHPHTLFTPL LIGFVIVAGM MCIIVMILTY KYLQKPMYEV QWKVVEEING NNYVYIDPTQ

670 680 690 700 710 720

LPYDHKWEFP RNRLSFGKTL GAGAFGKVVE ATAYGLIKSD AAMTVAVKML KPSAHLTERE

730 740 750 760 770 780

ALMSELKVLS YLGNHMNIVN LLGACTIGGP TLVITEYCCY GDLLNFLRRK RDSFICSKQE

790 800 810 820 830 840

DHAEAALYKN LLHSKESSCS DSTNEYMDMK PGVSYVVPTK ADKRRSVRIG SYIERDVTPA

850 860 870 880 890 900

IMEDDELALD LEDLLSFSYQ VAKGMAFLAS KNCIHRDLAA RNILLTHGRI TKICDFGLAR

910 920 930 940 950 960

DIKNDSNYVV KGNARLPVKW MAPESIFNCV YTFESDVWSY GIFLWELFSL GSSPYPGMPV

970 980 990 1000 1010 1020

Page 193: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

181

DSKFYKMIKE GFRMLSPEHA PAEMYDIMKT CWDADPLKRP TFKQIVQLIE KQISESTNHI

1030 1040 1050 1060

YSNLANCSPN RQKPVVDHSV RINSVGSTAS SSQPLLVHDD V

References and documentation are available.

Please note the modified algorithm for extinction coefficient.

Number of amino acids: 1061

Molecular weight: 118214.8

Theoretical pI: 6.83

Amino acid composition: CSV format

Ala (A) 61 5.7%

Arg (R) 49 4.6%

Asn (N) 60 5.7%

Asp (D) 54 5.1%

Cys (C) 28 2.6%

Gln (Q) 25 2.4%

Glu (E) 66 6.2%

Gly (G) 58 5.5%

His (H) 25 2.4%

Ile (I) 58 5.5%

Leu (L) 86 8.1%

Lys (K) 68 6.4%

Met (M) 29 2.7%

Phe (F) 46 4.3%

Pro (P) 53 5.0%

Ser (S) 84 7.9%

Thr (T) 60 5.7%

Trp (W) 14 1.3%

Tyr (Y) 43 4.1%

Val (V) 80 7.5%

Pyl (O) 11 1.0%

Sec (U) 2 0.2%

(B) 0 0.0%

(Z) 1 0.1%

(X) 0 0.0%

Total number of negatively charged residues (Asp + Glu): 120

Total number of positively charged residues (Arg + Lys): 117

Atom composition:

As there is at least one ambiguous position (B,Z or X) in the sequence

Page 194: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

182

considered, the atomic composition cannot be computed.

Extinction coefficients:

Extinction coefficients are in units of M-1 cm-1, at 280 nm measured in

water.

Ext. coefficient 142820

Abs 0.1% (=1 g/l) 1.208, assuming ALL Cys residues appear as half

cystines

Ext. coefficient 141070

Abs 0.1% (=1 g/l) 1.193, assuming NO Cys residues appear as half cystines

Estimated half-life:

The N-terminal of the sequence considered is G (Gly).

The estimated half-life is: 30 hours (mammalian reticulocytes, in vitro).

>20 hours (yeast, in vivo).

>10 hours (Escherichia coli, in vivo).

Instability index:

The instability index (II) is computed to be 39.21

This classifies the protein as stable.

Aliphatic index: 80.55

Grand average of hydropathicity (GRAVY): -0.269

ProtScale (ProtScale, 2009):-

User-provided sequence:

10 20 30 40 50 60

MRGARGAWDF LCVLLLLLRV QTGSSQPSVS PGEPSPPSIH PGKSDLIVRV GDEIRLLCTD

70 80 90 100 110 120

PGFVKWTFEI LDETNENKQN EWITEKAEAT NTGKYTCTNK HGLSNSIYVF VRDPAKLFLV

130 140 150 160 170 180

DRSLYGKEDN DTLVRCPLTD PEVTNYSLKG CQGKPLPKDL RFIPDPKAGI MIKSVKRAYH

190 200 210 220 230 240

Page 195: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

183

RLCLHCSVDQ EGKSVLSEKF ILKVRPAFKA VPVVSVSKAS YLLREGEEFT VTCTIKDVSS

250 260 270 280 290 300

SVYSTWKREN SQTKLQEKYN SWHHGDFNYE RQATLTISSA RVNDSGVFMC YANNTFGSAN

310 320 330 340 350 360

VTTTLEVVDK GFINIFPMIN TTVFVNDGEN VDLIVEYEAF PKPEHQQWIY MNRTFTDKWE

370 380 390 400 410 420

DYPKSENESN IRYVSELHLT RLKGTEGGTY TFLVSNSDVN AAIAFNVYVN TKPEILTYDR

430 440 450 460 470 480

LVNGMLQCVA AGFPEPTIDW YFCPGTEQRC SASVLPVDVQ TLNSSGPPFG KLVVQSSIDS

490 500 510 520 530 540

SAFKHNGTVE CKAYNDVGKT SAYFNFAFKG NNKEQIHPHT LFTPLLIGFV IVAGMMCIIV

550 560 570 580 590 600

MILTYKYLQK PMYEVQWKVV EEINGNNYVY IDPTQLPYDH KWEFPRNRLS FGKTLGAGAF

610 620 630 640 650 660

GKVVEATAYG LIKSDAAMTV AVKMLKPSAH LTEREALMSE LKVLSYLGNH MNIVNLLGAC

670 680 690 700 710 720

TIGGPTLVIT EYCCYGDLLN FLRRKRDSFI CSKQEDHAEA ALYKNLLHSK ESSCSDSTNE

730 740 750 760 770 780

YMDMKPGVSY VVPTKADKRR SVRIGSYIER DVTPAIMEDD ELALDLEDLL SFSYQVAKGM

790 800 810 820 830 840

AFLASKNCIH RDLAARNILL THGRITKICD FGLARDIKND SNYVVKGNAR LPVKWMAPES

850 860 870 880 890 900

IFNCVYTFES DVWSYGIFLW ELFSLGSSPY PGMPVDSKFY KMIKEGFRML SPEHAPAEMY

910 920 930 940 950 960

DIMKTCWDAD PLKRPTFKQI VQLIEKQISE STNHIYSNLA NCSPNRQKPV VDHSVRINSV

970

GSTASSSQPL LVHDDV

SEQUENCE LENGTH: 976

Using the scale Hphob. / Kyte & Doolittle, the individual values for the 20 amino acids are:

Ala: 1.800 Arg: -4.500 Asn: -3.500 Asp: -3.500 Cys: 2.500 Gln: -

3.500

Glu: -3.500 Gly: -0.400 His: -3.200 Ile: 4.500 Leu: 3.800 Lys: -

3.900

Met: 1.900 Phe: 2.800 Pro: -1.600 Ser: -0.800 Thr: -0.700 Trp: -

0.900

Tyr: -1.300 Val: 4.200 : -3.500 : -3.500 : -0.490

Weights for window positions 1,..,9, using linear weight variation model:

Page 196: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

184

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: -3.233

MAX: 3.589

Using the scale Molecular weight, the individual values for the 20 amino acids are:

Ala: 89.000 Arg: 174.000 Asn: 132.000 Asp: 133.000 Cys: 121.000 Gln:

146.000

Glu: 147.000 Gly: 75.000 His: 155.000 Ile: 131.000 Leu: 131.000 Lys:

146.000

Met: 149.000 Phe: 165.000 Pro: 115.000 Ser: 105.000 Thr: 119.000 Trp:

204.000

Tyr: 181.000 Val: 117.000 : 132.500 : 146.500 : 136.750

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

Page 197: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

185

edge center edge

MIN: 102.111

MAX: 157.778

Using the scale Bulkiness, the individual values for the 20 amino acids are:

Ala: 11.500 Arg: 14.280 Asn: 12.820 Asp: 11.680 Cys: 13.460 Gln:

14.450

Glu: 13.570 Gly: 3.400 His: 13.690 Ile: 21.400 Leu: 21.400 Lys:

15.710

Met: 16.250 Phe: 19.800 Pro: 17.430 Ser: 9.470 Thr: 15.770 Trp:

21.670

Tyr: 18.030 Val: 21.570 : 12.250 : 14.010 : 15.368

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

Page 198: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

186

MIN: 11.066

MAX: 20.359

Using the scale Polarity / Grantham, the individual values for the 20 amino acids are:

Ala: 8.100 Arg: 10.500 Asn: 11.600 Asp: 13.000 Cys: 5.500 Gln:

10.500

Glu: 12.300 Gly: 9.000 His: 10.400 Ile: 5.200 Leu: 4.900 Lys:

11.300

Met: 5.700 Phe: 5.200 Pro: 8.000 Ser: 9.200 Thr: 8.600 Trp:

5.400

Tyr: 6.200 Val: 5.900 : 12.300 : 11.400 : 8.325

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: 5.111

MAX: 11.422

Page 199: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

187

Using the scale Recognition factors, the individual values for the 20 amino acids are:

Ala: 78.000 Arg: 95.000 Asn: 94.000 Asp: 81.000 Cys: 89.000 Gln:

87.000

Glu: 78.000 Gly: 84.000 His: 84.000 Ile: 88.000 Leu: 85.000 Lys:

87.000

Met: 80.000 Phe: 81.000 Pro: 91.000 Ser: 107.000 Thr: 93.000 Trp:

104.000

Tyr: 84.000 Val: 89.000 : 87.500 : 82.500 : 87.950

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: 80.444

MAX: 98.556

Page 200: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

188

Using the scale Number of codon(s), the individual values for the 20 amino acids are:

Ala: 4.000 Arg: 6.000 Asn: 2.000 Asp: 2.000 Cys: 1.000 Gln:

2.000

Glu: 2.000 Gly: 4.000 His: 2.000 Ile: 3.000 Leu: 6.000 Lys:

2.000

Met: 1.000 Phe: 2.000 Pro: 4.000 Ser: 6.000 Thr: 4.000 Trp:

1.000

Tyr: 2.000 Val: 4.000 : 2.000 : 2.000 : 3.000

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: 1.889

MAX: 5.222

Page 201: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

189

Using the scale Polarity / Zimmerman, the individual values for the 20 amino acids are:

Ala: 0.000 Arg: 52.000 Asn: 3.380 Asp: 49.700 Cys: 1.480 Gln:

3.530

Glu: 49.900 Gly: 0.000 His: 51.600 Ile: 0.130 Leu: 0.130 Lys:

49.500

Met: 1.430 Phe: 0.350 Pro: 1.580 Ser: 1.670 Thr: 1.660 Trp:

2.100

Tyr: 1.610 Val: 0.130 : 26.540 : 26.715 : 13.594

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: 0.111

MAX: 34.056

Page 202: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

190

Using the scale Refractivity, the individual values for the 20 amino acids are:

Ala: 4.340 Arg: 26.660 Asn: 13.280 Asp: 12.000 Cys: 35.770 Gln:

17.560

Glu: 17.260 Gly: 0.000 His: 21.810 Ile: 19.060 Leu: 18.780 Lys:

21.290

Met: 21.640 Phe: 29.400 Pro: 10.930 Ser: 6.350 Thr: 11.010 Trp:

42.530

Tyr: 31.530 Val: 13.920 : 12.640 : 17.410 : 18.756

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: 6.780

MAX: 24.140

Page 203: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

191

Using the scale Hphob. / Eisenberg et al., the individual values for the 20 amino acids are:

Ala: 0.620 Arg: -2.530 Asn: -0.780 Asp: -0.900 Cys: 0.290 Gln: -

0.850

Glu: -0.740 Gly: 0.480 His: -0.400 Ile: 1.380 Leu: 1.060 Lys: -

1.500

Met: 0.640 Phe: 1.190 Pro: 0.120 Ser: -0.180 Thr: -0.050 Trp:

0.810

Tyr: 0.260 Val: 1.080 : -0.840 : -0.795 : -0.000

Weights for window positions 1,..,9, using linear weight variation model:

1 2 3 4 5 6 7 8 9

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

edge center edge

MIN: -1.108

MAX: 1.037

Page 204: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

192

Page 205: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

193

Page 206: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

194

GOR4 result for : UNK_152580 (GOR IV, 2009)

Abstract GOR secondary structure prediction method version IV, J. Garnier, J.-F. Gibrat, B. Robson, Methods in

Enzymology,R.F. Doolittle Ed., vol 266, 540-553, (1996)

View GOR4 in: [AnTheProt (PC) , Download...] [HELP]

10 20 30 40 50 60 70

| | | | | | |

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEI

cccccccchhhhhhhhhhccccccccccccccccccccccccccceeeecccceeeeecccccccceeee

LDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTD

ecccccchhhhhhhhhhhcccccceeeecccccccceeeeecccchhhhhhcccccccccceeeeccccc

PEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKA

cccceeecccccccccccccccccccccceeeeeeeeeeeeeeeeccccccccchhhhhhhhhhcccccc

VPVVSVSKASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSA

cceeeccchhhhhccccceeeeeeeeccccceeeccccccchhhhhhhhccccccccchhhhheeeeccc

RVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEYEAFPKPEHQQWIY

cccccceeeeeecccccccccceeeeeccccceeeecccceeeeecccccceeeeeeccccccchhhhee

MNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNVYVNTKPEILTYDR

eeeeeecccccccccccccchhhhhhhhhhhhcccccceeeeeeccccchhhhheeeccccccceeeeee

LVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSIDSSAFKHNGTVE

eecceeeeeeccccccceeceeeccccccccccccccceeeecccccccceeeeecccccccccccceee

CKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEVQWKVV

eeeeccccccchhhhhhhccccccccccccccccceeceeeeecccceeeeeecccccccceeeeeeeee

EEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAH

eeccccceeeecccccccccccccccccccccccccccccchhhhhhhhhhhhchhhhhhhhhhhccccc

LTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEA

hhhhhhhhhhhhhhhhccccceeeeeeccccccccceeeeeecccccccccccccccceeecchhhhhhh

ALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLL

hhhhhhhccccccccccccccccccccceeeeccccccceeeeeceecccccchhhhhhhhhhhhhhhhh

SFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPES

hhhhhhhhhhhhhhccccchhhhhhhhhhhhccceeeecccccccccccccceeeeccceeceeccccce

IFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDAD

eeeeeeeeccceeeeeeeeeeeecccccccccccccchhhhhhhhhhhhccccccceeeeeeeeeccccc

PLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPLLVHDDV

cccccchhhhhhhhhhhccccccceeecccccccccccceeceeeeeeecccccccccceeeeeec

Sequence length : 976

GOR4 :

Alpha helix (Hh) : 202 is 20.70%

310 helix (Gg) : 0 is 0.00%

Pi helix (Ii) : 0 is 0.00%

Beta bridge (Bb) : 0 is 0.00%

Extended strand (Ee) : 256 is 26.23%

Beta turn (Tt) : 0 is 0.00%

Bend region (Ss) : 0 is 0.00%

Random coil (Cc) : 518 is 53.07%

Ambigous states (?) : 0 is 0.00%

Other states : 0 is 0.00%

Page 207: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

195

Prediction result file (text): [GOR4]

Page 208: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

196

SOPMA result for : UNK_153800 (SOPMA, 2009) Abstract Geourjon, C. & Deléage, G., SOPMA: Significant improvement in protein secondary structure

prediction by consensus prediction from multiple alignments., Cabios (1995) 11, 681-684

View SOPMA in: [AnTheProt (PC) , Download...] [HELP]

10 20 30 40 50 60 70

| | | | | | |

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEI

hhhhhhhhhhhhhhhhheeecccccccccccccccccccccccceeeeettceeeeeeccccceeeeccc

LDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTD

ccccccccceeeeeehcccccccceeeeccccccceeeeeeccccceeeeccheeccttccceeeeeccc

PEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKA

ttcceeeeecccccccccceeeeccccccceehcchhccccceeeeeeccttccccccceeeeeeccccc

VPVVSVSKASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSA

cceeeecccheeeettcceeeeeeccccccceeeeeccccccchhhhhhhccccccccccheeeeeeeec

RVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEYEAFPKPEHQQWIY

cccttcceeeehhcccccchhheeeeehhtteeeecccccceeeecttcceeeeeeeeccccccceeeec

MNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNVYVNTKPEILTYDR

ccccccccchheeehcccccchhhhhheeeeecccttcceeeeecccccchheeeeeeeccccceeeehc

LVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSIDSSAFKHNGTVE

cctteeeeecttccccceeeeecccccccccccccccccccccceeecccccccchheeeeeccccheee

CKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEVQWKVV

hhhhhhhccchheeeeecccccccccccccccchhhhhhhhhhhhhhhhhhhhhhhhttccchhhhheee

EEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAH

eecttcceeeecttcccccccccccccceeetceecccchhheehhhhttcccccchhhhhhhhhcttcc

LTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEA

hhhhhhhhhhhhhhhhtccccheeeehhhccttcceeeeeecccthhhhhhhhhtthheeeccccccccc

ALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLL

hhhhhhccccccccccccccccccccccccccccccccccccccccccchhhhhhhhcccccccchhhhh

SFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPES

hhhhhhhhhhhhhhctthhhhhhhhhheeeettceeeecccccccccccccheeeccccccceeecccth

IFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDAD

hhhhheehhhhhhhhhhhhhheeettcccccccccchhhhhhhhttcccccccccchhhhhhhhhhhccc

PLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPLLVHDDV

ttcccchhhhhhhhhhhhhhhhhhhhhhhcccccccccccccccceecccccccccccceeeeccc

Sequence length : 976

SOPMA :

Alpha helix (Hh) : 244 is 25.00%

310 helix (Gg) : 0 is 0.00%

Pi helix (Ii) : 0 is 0.00%

Beta bridge (Bb) : 0 is 0.00%

Extended strand (Ee) : 228 is 23.36%

Beta turn (Tt) : 50 is 5.12%

Bend region (Ss) : 0 is 0.00%

Random coil (Cc) : 454 is 46.52%

Ambigous states (?) : 0 is 0.00%

Other states : 0 is 0.00%

Page 209: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

197

Parameters :

Window width : 17

Similarity threshold : 8

Number of states : 4

Prediction result file (text): [SOPMA]

Page 210: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

198

Page 211: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

199

SignalP 3.0 Server - prediction results

Technical University of Denmark (SignalP, 2009)

Using neural networks (NN) and hidden Markov models (HMM) trained on

eukaryotes

>gi_4557695_ref_NP_000213.1_ v-kit Hardy-Zuckerman 4 feline sarcoma viral

oncogene homolog isoform 1 precursor _Homo sapiens_

SignalP-NN result:

# data

>gi_4557695_ref_NP_00 length = 70

# Measure Position Value Cutoff signal peptide?

max. C 26 0.871 0.32 YES

max. Y 26 0.873 0.33 YES

Page 212: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

200

max. S 17 0.991 0.87 YES

mean S 1-25 0.922 0.48 YES

D 1-25 0.898 0.43 YES

# Most likely cleavage site between pos. 25 and 26: GSS-QP

SignalP-HMM result:

# data

>gi_4557695_ref_NP_000213.1_

Prediction: Signal peptide

Signal peptide probability: 1.000

Signal anchor probability: 0.000

Max cleavage site probability: 0.781 between pos. 25 and 26

# gnuplot script

for making the plot(s)

Page 213: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

201

NetNGlyc 1.0 Server - prediction results

Technical University of Denmark (NetNGlyc, 2009)

Asn-Xaa-Ser/Thr sequons in the sequence output below are highlighted

in blue.

Asparagines predicted to be N-glycosylated are highlighted in

red.

Output for 'gi_4557695_ref_NP_000213.1_'

###########################################################################

#############

Warning: This sequence may not contain a signal peptide!!

Proteins without signal peptides are unlikely to be exposed to

the N-glycosylation machinery and thus may not be glycosylated

(in vivo) even though they contain potential motifs.

SignalP-NN euk predictions are as follows:

# name Cmax pos ? Ymax pos ? Smax pos ? Smean ? D

?

SignalP output is explained at

http://www.cbs.dtu.dk/services/SignalP/output.html

###########################################################################

#############

Page 214: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

202

Name: gi_4557695_ref_NP_000213.1_ Length: 976

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEILDETN

ENKQN 80

EWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKP

LPKDL 160

RFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKAVPVVSVSKASYLLREGEEFTVTCTI

KDVSS 240

SVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINI

FPMIN 320

TTVFVNDGENVDLIVEYEAFPKPEHQQWIYMNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVS

NSDVN 400

AAIAFNVYVNTKPEILTYDRLVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQ

SSIDS 480

SAFKHNGTVECKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEV

QWKVV 560

EEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTERE

ALMSE 640

LKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEAALYKNLLHSKESSCS

DSTNE 720

YMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAA

RNILL 800

THGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPV

DSKFY 880

KMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSV

RINSV 960

GSTASSSQPLLVHDDV

...........................................................................

..... 80

.................................................N..............N..........

..... 160

...........................................................................

..... 240

..........................................N................N...............

....N 320

...............................N..............N............................

Page 215: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

203

..... 400

..............................................................N............

..... 480

.....N.....................................................................

..... 560

...........................................................................

..... 640

...........................................................................

..... 720

...........................................................................

..... 800

...........................................................................

..... 880

...........................................................................

..... 960

................

1040

(Threshold=0.5)

----------------------------------------------------------------------

SeqName Position Potential Jury N-Glyc

agreement result

----------------------------------------------------------------------

gi_4557695_ref_NP_000213.1_ 130 NDTL 0.7108 (9/9) ++

gi_4557695_ref_NP_000213.1_ 145 NYSL 0.5366 (6/9) +

gi_4557695_ref_NP_000213.1_ 283 NDSG 0.5754 (8/9) +

gi_4557695_ref_NP_000213.1_ 293 NNTF 0.3596 (8/9) -

gi_4557695_ref_NP_000213.1_ 300 NVTT 0.7154 (9/9) ++

gi_4557695_ref_NP_000213.1_ 320 NTTV 0.6528 (9/9) ++

gi_4557695_ref_NP_000213.1_ 352 NRTF 0.7201 (9/9) ++

gi_4557695_ref_NP_000213.1_ 367 NESN 0.6378 (8/9) +

Page 216: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

204

gi_4557695_ref_NP_000213.1_ 463 NSSG 0.5716 (7/9) +

gi_4557695_ref_NP_000213.1_ 486 NGTV 0.7471 (9/9) ++

gi_4557695_ref_NP_000213.1_ 819 NDSN 0.3409 (8/9) -

gi_4557695_ref_NP_000213.1_ 941 NCSP 0.1006 (9/9) ---

----------------------------------------------------------------------

Page 217: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

205

NetOGlyc 3.1 Server - prediction results

Technical University of Denmark (NetOGlyc, 2009)

Name: gi_4557695_ Length: 976

MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEILDETN

ENKQN

EWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKP

LPKDL

RFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKAVPVVSVSKASYLLREGEEFTVTCTI

KDVSS

SVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINI

FPMIN

TTVFVNDGENVDLIVEYEAFPKPEHQQWIYMNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVS

NSDVN

AAIAFNVYVNTKPEILTYDRLVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQ

SSIDS

SAFKHNGTVECKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEV

QWKVV

EEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTERE

ALMSE

LKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEAALYKNLLHSKESSCS

DSTNE

YMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAA

RNILL

THGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPV

DSKFY

KMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSV

RINSV

GSTASSSQPLLVHDDV

_________________________..................................................

.....

...........................................................................

.....

Page 218: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

206

...........................................................................

.....

...........................................................................

.....

...........................................................................

.....

...........................................................................

.....

...........................................................................

.....

..........................................................T................

.....

...........................................................................

.....

.............T.............................................................

.....

...........................................................................

.....

...........................................................................

.....

................

Name S/T Pos G-score I-score Y/N Comment

---------------------------------------------------------------------------

-

gi_4557695_ T 22 0.311 0.064 . -

gi_4557695_ S 24 0.248 0.028 . -

gi_4557695_ S 25 0.269 0.181 . -

gi_4557695_ S 28 0.352 0.509 . -

gi_4557695_ S 30 0.385 0.455 . -

gi_4557695_ S 35 0.461 0.297 . -

gi_4557695_ S 38 0.408 0.425 . -

gi_4557695_ S 44 0.263 0.043 . -

Page 219: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

207

gi_4557695_ T 59 0.129 0.177 . -

gi_4557695_ T 67 0.117 0.077 . -

gi_4557695_ T 74 0.169 0.024 . -

gi_4557695_ T 84 0.190 0.080 . -

gi_4557695_ T 90 0.165 0.083 . -

gi_4557695_ T 92 0.175 0.050 . -

gi_4557695_ T 96 0.202 0.038 . -

gi_4557695_ T 98 0.183 0.047 . -

gi_4557695_ S 104 0.101 0.055 . -

gi_4557695_ S 106 0.084 0.020 . -

gi_4557695_ S 123 0.078 0.020 . -

gi_4557695_ T 132 0.169 0.024 . -

gi_4557695_ T 139 0.151 0.139 . -

gi_4557695_ T 144 0.194 0.088 . -

gi_4557695_ S 147 0.139 0.030 . -

gi_4557695_ S 174 0.072 0.030 . -

gi_4557695_ S 187 0.070 0.043 . -

gi_4557695_ S 194 0.069 0.021 . -

gi_4557695_ S 197 0.101 0.092 . -

gi_4557695_ S 215 0.139 0.084 . -

gi_4557695_ S 217 0.162 0.057 . -

gi_4557695_ S 220 0.178 0.032 . -

gi_4557695_ T 230 0.263 0.064 . -

gi_4557695_ T 232 0.210 0.054 . -

gi_4557695_ T 234 0.205 0.063 . -

gi_4557695_ S 239 0.162 0.052 . -

gi_4557695_ S 240 0.160 0.043 . -

gi_4557695_ S 241 0.152 0.030 . -

Page 220: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

208

gi_4557695_ S 244 0.144 0.049 . -

gi_4557695_ T 245 0.209 0.072 . -

gi_4557695_ S 251 0.117 0.018 . -

gi_4557695_ T 253 0.177 0.028 . -

gi_4557695_ S 261 0.081 0.047 . -

gi_4557695_ T 274 0.164 0.071 . -

gi_4557695_ T 276 0.159 0.079 . -

gi_4557695_ S 278 0.093 0.039 . -

gi_4557695_ S 279 0.087 0.065 . -

gi_4557695_ S 285 0.116 0.031 . -

gi_4557695_ T 295 0.176 0.030 . -

gi_4557695_ S 298 0.106 0.075 . -

gi_4557695_ T 302 0.174 0.143 . -

gi_4557695_ T 303 0.166 0.019 . -

gi_4557695_ T 304 0.170 0.091 . -

gi_4557695_ T 321 0.141 0.040 . -

gi_4557695_ T 322 0.130 0.033 . -

gi_4557695_ T 354 0.201 0.018 . -

gi_4557695_ T 356 0.184 0.056 . -

gi_4557695_ S 365 0.111 0.032 . -

gi_4557695_ S 369 0.108 0.018 . -

gi_4557695_ S 375 0.127 0.054 . -

gi_4557695_ T 380 0.186 0.058 . -

gi_4557695_ T 385 0.153 0.064 . -

gi_4557695_ T 389 0.205 0.026 . -

gi_4557695_ T 391 0.168 0.053 . -

gi_4557695_ S 395 0.116 0.054 . -

gi_4557695_ S 397 0.103 0.019 . -

Page 221: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

209

gi_4557695_ T 411 0.124 0.029 . -

gi_4557695_ T 417 0.126 0.075 . -

gi_4557695_ T 437 0.212 0.135 . -

gi_4557695_ T 446 0.322 0.059 . -

gi_4557695_ S 451 0.183 0.059 . -

gi_4557695_ S 453 0.206 0.116 . -

gi_4557695_ T 461 0.317 0.066 . -

gi_4557695_ S 464 0.207 0.083 . -

gi_4557695_ S 465 0.232 0.143 . -

gi_4557695_ S 476 0.199 0.027 . -

gi_4557695_ S 477 0.165 0.025 . -

gi_4557695_ S 480 0.152 0.052 . -

gi_4557695_ S 481 0.132 0.019 . -

gi_4557695_ T 488 0.226 0.048 . -

gi_4557695_ T 500 0.125 0.061 . -

gi_4557695_ S 501 0.082 0.031 . -

gi_4557695_ T 520 0.138 0.031 . -

gi_4557695_ T 523 0.124 0.057 . -

gi_4557695_ T 544 0.092 0.055 . -

gi_4557695_ T 574 0.145 0.294 . -

gi_4557695_ S 590 0.105 0.051 . -

gi_4557695_ T 594 0.164 0.051 . -

gi_4557695_ T 607 0.214 0.035 . -

gi_4557695_ S 614 0.140 0.050 . -

gi_4557695_ T 619 0.213 0.515 T -

gi_4557695_ S 628 0.126 0.035 . -

gi_4557695_ T 632 0.173 0.106 . -

gi_4557695_ S 639 0.085 0.171 . -

Page 222: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

210

gi_4557695_ S 645 0.058 0.054 . -

gi_4557695_ T 661 0.113 0.122 . -

gi_4557695_ T 666 0.105 0.064 . -

gi_4557695_ T 670 0.091 0.056 . -

gi_4557695_ S 688 0.059 0.044 . -

gi_4557695_ S 692 0.054 0.045 . -

gi_4557695_ S 709 0.102 0.049 . -

gi_4557695_ S 712 0.114 0.030 . -

gi_4557695_ S 713 0.125 0.019 . -

gi_4557695_ S 715 0.129 0.064 . -

gi_4557695_ S 717 0.129 0.018 . -

gi_4557695_ T 718 0.227 0.026 . -

gi_4557695_ S 729 0.176 0.090 . -

gi_4557695_ T 734 0.223 0.517 T -

gi_4557695_ S 741 0.227 0.061 . -

gi_4557695_ S 746 0.178 0.020 . -

gi_4557695_ T 753 0.153 0.090 . -

gi_4557695_ S 771 0.066 0.070 . -

gi_4557695_ S 773 0.058 0.053 . -

gi_4557695_ S 785 0.065 0.059 . -

gi_4557695_ T 801 0.086 0.076 . -

gi_4557695_ T 806 0.099 0.076 . -

gi_4557695_ S 821 0.076 0.028 . -

gi_4557695_ S 840 0.111 0.018 . -

gi_4557695_ T 847 0.144 0.073 . -

gi_4557695_ S 850 0.080 0.032 . -

gi_4557695_ S 854 0.094 0.079 . -

gi_4557695_ S 864 0.141 0.055 . -

Page 223: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

211

gi_4557695_ S 867 0.122 0.062 . -

gi_4557695_ S 868 0.118 0.029 . -

gi_4557695_ S 877 0.165 0.034 . -

gi_4557695_ S 891 0.090 0.052 . -

gi_4557695_ T 905 0.238 0.025 . -

gi_4557695_ T 916 0.168 0.031 . -

gi_4557695_ S 929 0.114 0.083 . -

gi_4557695_ S 931 0.091 0.027 . -

gi_4557695_ T 932 0.131 0.036 . -

gi_4557695_ S 937 0.133 0.053 . -

gi_4557695_ S 943 0.146 0.041 . -

gi_4557695_ S 954 0.259 0.050 . -

gi_4557695_ S 959 0.234 0.052 . -

gi_4557695_ S 962 0.210 0.034 . -

gi_4557695_ T 963 0.322 0.164 . -

gi_4557695_ S 965 0.238 0.026 . -

gi_4557695_ S 966 0.251 0.202 . -

gi_4557695_ S 967 0.262 0.076 . -

---------------------------------------------------------------------------

-

Page 224: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

212

Page 225: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

213

NetAcet 1.0 Server - prediction results

Technical University of Denmark (NetAcet, 2009)

seq2seq: entry name truncated from "gi_4557695_ref_NP_000213.1_" to

"gi_4557695_ref_NP_00"

#

# NetAcet 1.0 prediction results, 1 sequence

#

#

# Sequence # Context Score Acetylation

# -----------------------------------------------------------------

gi_4557695_ref_NP_00 3 G -MRGARG 0.464 .

Page 226: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

214

NetPhos 2.0 Server - prediction results

Technical University of Denmark (NetPhos, 2009)

netphos: file Sequence invalid or empty

1025 gi_4557695_

MAVIRALXNCXGENEHXMXLXGISXFXRMPRECXRSXRHXMXSAPIENSMRGARGAWDFLCVLLLLLRVQTGSSQ

PSVSP 80

GEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEILDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNS

IYVFV 160

RDPAKLFLVDRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYHRLCLHC

SVDQE 240

GKSVLSEKFILKVRPAFKAVPVVSVSKASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGD

FNYER 320

QATLTISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEYEAFPKPEHQ

QWIYM 400

NRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNVYVNTKPEILTYDRLVNGML

QCVAA 480

GFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSIDSSAFKHNGTVECKAYNDVGKTSAYFNF

AFKGN 560

NKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPR

NRLSF 640

GKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPT

LVITE 720

YCCYGDLLNFLRRKRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRRSVRIGS

YIERD 800

VTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVK

GNARL 880

PVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTC

WDADP 960

LKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPLLVHDDV

1040

Page 227: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

215

...................................S............S.....................T....

.S.S. 80

...S..S.............................................T.......T..Y...........

.Y... 160

...........S....................T.............................S............

..... 240

..S..S.................S..................T....SSS...T...............S.....

..Y.. 320

.......S........................T................T.........................

..... 400

....T.....Y..S...S...Y..................................Y........T.........

..... 480

.....T.............S........................S.................Y......S.Y...

..... 560

........................................................Y.Y................

...S. 640

.................Y.........T........S...T..................................

..... 720

................S..............Y.....S..SS.S.S...Y.......SY..........S....S

..... 800

......................................................T................Y...

..... 880

....................................S......................S........Y......

..... 960

.................S......Y.................S....S..S..............

1040

Phosphorylation sites predicted: Ser: 38 Thr: 14 Tyr: 17

Serine predictions

Name Pos Context Score Pred

_________________________v_________________

Page 228: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

216

gi_4557695_ 24 LXGISXFXR 0.006 .

gi_4557695_ 36 ECXRSXRHX 0.833 *S*

gi_4557695_ 43 HXMXSAPIE 0.006 .

gi_4557695_ 49 PIENSMRGA 0.794 *S*

gi_4557695_ 73 VQTGSSQPS 0.102 .

gi_4557695_ 74 QTGSSQPSV 0.039 .

gi_4557695_ 77 SSQPSVSPG 0.990 *S*

gi_4557695_ 79 QPSVSPGEP 0.997 *S*

gi_4557695_ 84 PGEPSPPSI 0.543 *S*

gi_4557695_ 87 PSPPSIHPG 0.924 *S*

gi_4557695_ 93 HPGKSDLIV 0.032 .

gi_4557695_ 153 KHGLSNSIY 0.026 .

gi_4557695_ 155 GLSNSIYVF 0.009 .

gi_4557695_ 172 LVDRSLYGK 0.604 *S*

gi_4557695_ 196 VTNYSLKGC 0.113 .

gi_4557695_ 223 IMIKSVKRA 0.917 *S*

gi_4557695_ 236 CLHCSVDQE 0.003 .

gi_4557695_ 243 QEGKSVLSE 0.930 *S*

gi_4557695_ 246 KSVLSEKFI 0.988 *S*

gi_4557695_ 264 VPVVSVSKA 0.613 *S*

gi_4557695_ 266 VVSVSKASY 0.134 .

gi_4557695_ 269 VSKASYLLR 0.224 .

gi_4557695_ 288 IKDVSSSVY 0.908 *S*

gi_4557695_ 289 KDVSSSVYS 0.540 *S*

gi_4557695_ 290 DVSSSVYST 0.959 *S*

gi_4557695_ 293 SSVYSTWKR 0.287 .

gi_4557695_ 300 KRENSQTKL 0.464 .

gi_4557695_ 310 EKYNSWHHG 0.945 *S*

Page 229: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

217

gi_4557695_ 327 TLTISSARV 0.005 .

gi_4557695_ 328 LTISSARVN 0.756 *S*

gi_4557695_ 334 RVNDSGVFM 0.252 .

gi_4557695_ 347 NTFGSANVT 0.007 .

gi_4557695_ 414 DYPKSENES 0.557 *S*

gi_4557695_ 418 SENESNIRY 0.907 *S*

gi_4557695_ 424 IRYVSELHL 0.238 .

gi_4557695_ 444 TFLVSNSDV 0.117 .

gi_4557695_ 446 LVSNSDVNA 0.352 .

gi_4557695_ 500 EQRCSASVL 0.936 *S*

gi_4557695_ 502 RCSASVLPV 0.014 .

gi_4557695_ 513 QTLNSSGPP 0.113 .

gi_4557695_ 514 TLNSSGPPF 0.013 .

gi_4557695_ 525 LVVQSSIDS 0.981 *S*

gi_4557695_ 526 VVQSSIDSS 0.287 .

gi_4557695_ 529 SSIDSSAFK 0.018 .

gi_4557695_ 530 SIDSSAFKH 0.077 .

gi_4557695_ 550 VGKTSAYFN 0.853 *S*

gi_4557695_ 639 RNRLSFGKT 0.969 *S*

gi_4557695_ 663 GLIKSDAAM 0.006 .

gi_4557695_ 677 MLKPSAHLT 0.574 *S*

gi_4557695_ 688 EALMSELKV 0.034 .

gi_4557695_ 694 LKVLSYLGN 0.122 .

gi_4557695_ 737 RKRDSFICS 0.997 *S*

gi_4557695_ 741 SFICSKQED 0.111 .

gi_4557695_ 758 NLLHSKESS 0.994 *S*

gi_4557695_ 761 HSKESSCSD 0.668 *S*

gi_4557695_ 762 SKESSCSDS 0.989 *S*

Page 230: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

218

gi_4557695_ 764 ESSCSDSTN 0.862 *S*

gi_4557695_ 766 SCSDSTNEY 0.961 *S*

gi_4557695_ 778 KPGVSYVVP 0.507 *S*

gi_4557695_ 790 DKRRSVRIG 0.996 *S*

gi_4557695_ 795 VRIGSYIER 0.992 *S*

gi_4557695_ 820 EDLLSFSYQ 0.045 .

gi_4557695_ 822 LLSFSYQVA 0.130 .

gi_4557695_ 834 AFLASKNCI 0.013 .

gi_4557695_ 870 IKNDSNYVV 0.189 .

gi_4557695_ 889 MAPESIFNC 0.009 .

gi_4557695_ 899 YTFESDVWS 0.031 .

gi_4557695_ 903 SDVWSYGIF 0.022 .

gi_4557695_ 913 WELFSLGSS 0.022 .

gi_4557695_ 916 FSLGSSPYP 0.003 .

gi_4557695_ 917 SLGSSPYPG 0.953 *S*

gi_4557695_ 926 MPVDSKFYK 0.017 .

gi_4557695_ 940 FRMLSPEHA 0.995 *S*

gi_4557695_ 978 EKQISESTN 0.900 *S*

gi_4557695_ 980 QISESTNHI 0.313 .

gi_4557695_ 986 NHIYSNLAN 0.039 .

gi_4557695_ 992 LANCSPNRQ 0.162 .

gi_4557695_ 1003 VVDHSVRIN 0.942 *S*

gi_4557695_ 1008 VRINSVGST 0.977 *S*

gi_4557695_ 1011 NSVGSTASS 0.824 *S*

gi_4557695_ 1014 GSTASSSQP 0.063 .

gi_4557695_ 1015 STASSSQPL 0.230 .

gi_4557695_ 1016 TASSSQPLL 0.140 .

_________________________^_________________

Page 231: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

219

Threonine predictions

Name Pos Context Score Pred

_________________________v_________________

gi_4557695_ 71 LRVQTGSSQ 0.551 *T*

gi_4557695_ 108 RLLCTDPGF 0.015 .

gi_4557695_ 116 FVKWTFEIL 0.010 .

gi_4557695_ 123 ILDETNENK 0.024 .

gi_4557695_ 133 NEWITEKAE 0.725 *T*

gi_4557695_ 139 KAEATNTGK 0.168 .

gi_4557695_ 141 EATNTGKYT 0.840 *T*

gi_4557695_ 145 TGKYTCTNK 0.017 .

gi_4557695_ 147 KYTCTNKHG 0.132 .

gi_4557695_ 181 EDNDTLVRC 0.095 .

gi_4557695_ 188 RCPLTDPEV 0.344 .

gi_4557695_ 193 DPEVTNYSL 0.547 *T*

gi_4557695_ 279 GEEFTVTCT 0.281 .

gi_4557695_ 281 EFTVTCTIK 0.026 .

gi_4557695_ 283 TVTCTIKDV 0.761 *T*

gi_4557695_ 294 SVYSTWKRE 0.732 *T*

gi_4557695_ 302 ENSQTKLQE 0.117 .

gi_4557695_ 323 ERQATLTIS 0.342 .

gi_4557695_ 325 QATLTISSA 0.409 .

gi_4557695_ 344 YANNTFGSA 0.155 .

gi_4557695_ 351 SANVTTTLE 0.039 .

gi_4557695_ 352 ANVTTTLEV 0.483 .

gi_4557695_ 353 NVTTTLEVV 0.687 *T*

Page 232: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

220

gi_4557695_ 370 PMINTTVFV 0.549 *T*

gi_4557695_ 371 MINTTVFVN 0.051 .

gi_4557695_ 403 YMNRTFTDK 0.077 .

gi_4557695_ 405 NRTFTDKWE 0.912 *T*

gi_4557695_ 429 ELHLTRLKG 0.033 .

gi_4557695_ 434 RLKGTEGGT 0.395 .

gi_4557695_ 438 TEGGTYTFL 0.014 .

gi_4557695_ 440 GGTYTFLVS 0.048 .

gi_4557695_ 460 VYVNTKPEI 0.363 .

gi_4557695_ 466 PEILTYDRL 0.605 *T*

gi_4557695_ 486 FPEPTIDWY 0.582 *T*

gi_4557695_ 495 FCPGTEQRC 0.029 .

gi_4557695_ 510 VDVQTLNSS 0.181 .

gi_4557695_ 537 KHNGTVECK 0.037 .

gi_4557695_ 549 DVGKTSAYF 0.064 .

gi_4557695_ 569 IHPHTLFTP 0.026 .

gi_4557695_ 572 HTLFTPLLI 0.039 .

gi_4557695_ 593 VMILTYKYL 0.430 .

gi_4557695_ 623 YIDPTQLPY 0.067 .

gi_4557695_ 643 SFGKTLGAG 0.080 .

gi_4557695_ 656 VVEATAYGL 0.365 .

gi_4557695_ 668 DAAMTVAVK 0.671 *T*

gi_4557695_ 681 SAHLTEREA 0.992 *T*

gi_4557695_ 710 LGACTIGGP 0.137 .

gi_4557695_ 715 IGGPTLVIT 0.332 .

gi_4557695_ 719 TLVITEYCC 0.020 .

gi_4557695_ 767 CSDSTNEYM 0.006 .

gi_4557695_ 783 YVVPTKADK 0.390 .

Page 233: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

221

gi_4557695_ 802 ERDVTPAIM 0.388 .

gi_4557695_ 850 NILLTHGRI 0.019 .

gi_4557695_ 855 HGRITKICD 0.612 *T*

gi_4557695_ 896 NCVYTFESD 0.045 .

gi_4557695_ 954 DIMKTCWDA 0.361 .

gi_4557695_ 965 LKRPTFKQI 0.328 .

gi_4557695_ 981 ISESTNHIY 0.063 .

gi_4557695_ 1012 SVGSTASSS 0.048 .

_________________________^_________________

Tyrosine predictions

Name Pos Context Score Pred

_________________________v_________________

gi_4557695_ 144 NTGKYTCTN 0.877 *Y*

gi_4557695_ 157 SNSIYVFVR 0.978 *Y*

gi_4557695_ 174 DRSLYGKED 0.178 .

gi_4557695_ 195 EVTNYSLKG 0.359 .

gi_4557695_ 228 VKRAYHRLC 0.150 .

gi_4557695_ 270 SKASYLLRE 0.239 .

gi_4557695_ 292 SSSVYSTWK 0.474 .

gi_4557695_ 308 LQEKYNSWH 0.271 .

gi_4557695_ 318 GDFNYERQA 0.562 *Y*

gi_4557695_ 340 VFMCYANNT 0.099 .

gi_4557695_ 386 LIVEYEAFP 0.048 .

gi_4557695_ 399 QQWIYMNRT 0.309 .

gi_4557695_ 411 KWEDYPKSE 0.805 *Y*

gi_4557695_ 422 SNIRYVSEL 0.899 *Y*

Page 234: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

222

gi_4557695_ 439 EGGTYTFLV 0.376 .

gi_4557695_ 457 AFNVYVNTK 0.815 *Y*

gi_4557695_ 467 EILTYDRLV 0.070 .

gi_4557695_ 490 TIDWYFCPG 0.221 .

gi_4557695_ 543 ECKAYNDVG 0.946 *Y*

gi_4557695_ 552 KTSAYFNFA 0.719 *Y*

gi_4557695_ 594 MILTYKYLQ 0.022 .

gi_4557695_ 596 LTYKYLQKP 0.111 .

gi_4557695_ 602 QKPMYEVQW 0.420 .

gi_4557695_ 617 NGNNYVYID 0.829 *Y*

gi_4557695_ 619 NNYVYIDPT 0.877 *Y*

gi_4557695_ 627 TQLPYDHKW 0.046 .

gi_4557695_ 658 EATAYGLIK 0.560 *Y*

gi_4557695_ 695 KVLSYLGNH 0.059 .

gi_4557695_ 721 VITEYCCYG 0.158 .

gi_4557695_ 724 EYCCYGDLL 0.099 .

gi_4557695_ 752 EAALYKNLL 0.714 *Y*

gi_4557695_ 770 STNEYMDMK 0.981 *Y*

gi_4557695_ 779 PGVSYVVPT 0.740 *Y*

gi_4557695_ 796 RIGSYIERD 0.199 .

gi_4557695_ 823 LSFSYQVAK 0.068 .

gi_4557695_ 872 NDSNYVVKG 0.961 *Y*

gi_4557695_ 895 FNCVYTFES 0.107 .

gi_4557695_ 904 DVWSYGIFL 0.067 .

gi_4557695_ 919 GSSPYPGMP 0.308 .

gi_4557695_ 929 DSKFYKMIK 0.264 .

gi_4557695_ 949 PAEMYDIMK 0.853 *Y*

gi_4557695_ 985 TNHIYSNLA 0.871 *Y*

Page 235: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

223

_________________________^_________________

Page 236: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

224

Sulfinator (Sulfinator, 2009)

Input processed on Thu Dec 31 07:53:21 CET 2009:

E-cutoff value is 55

No hits found in: GI

Page 237: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

225

Page 238: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

226

SOSUI (SOSUI, 2009)

SOSUI Result

Query title : None

Total length : 1047 A. A.

Average of hydrophobicity : -0.268768

This amino acid sequence is of a MEMBRANE PROTEIN which have 1 transmembrane helix.

No. N terminal transmembrane region C terminal type length

1 593 FTPLLIGFVIVAGMMCIIVMILT 615 PRIMARY 23

Page 239: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

227

Page 240: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

228

Loading of raw sequence (SPDBV, 2009) :-

After Loading Templates:-

Page 241: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

229

Coloring of raw sequence and Templates:-

Aligning of first Templates:-

Page 242: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

230

Aligning of second Templates:-

Modeled protein before loop building:-

Page 243: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

231

Ramachandran plot protein before loop building:-

Loop building (configuration table):-

Page 244: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

232

Modelled protein after loop building:-

Ramachandran plot after loop building:-

Page 245: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

233

Protein with H-Bonds:-

Protein with Side chains:-

Page 246: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

234

Page 247: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

235

Cavity Method (Cavity, 2009)

Protein with Molecule surface:-

Cavities:-

Page 248: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

236

Q-Site Finder (Q-SiteFinder, 2009)

Predicted site 1

Site Volume: 1891 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-751, -732, -636)

Max Coords: (-713, -694, -602)

99 O ASN 680

100 CB ASN 680

101 CG ASN 680

103 ND2 ASN 680

104 N PHE 681

106 C PHE 681

107 O PHE 681

109 CG PHE 681

110 CD1 PHE 681

111 CD2 PHE 681

112 CE1 PHE 681

113 CE2 PHE 681

114 CZ PHE 681

116 CA LEU 682

117 C LEU 682

Page 249: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

237

118 O LEU 682

119 CB LEU 682

120 CG LEU 682

121 CD1 LEU 682

122 CD2 LEU 682

123 N ARG 683

124 CA ARG 683

125 C ARG 683

126 O ARG 683

128 CG ARG 683

129 CD ARG 683

130 NE ARG 683

131 CZ ARG 683

132 NH1 ARG 683

133 NH2 ARG 683

134 N ARG 684

138 CB ARG 684

261 CA GLU 699

262 C GLU 699

263 O GLU 699

264 CB GLU 699

269 N ALA 700

270 CA ALA 700

271 C ALA 700

272 O ALA 700

Page 250: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

238

274 N ALA 701

275 CA ALA 701

276 C ALA 701

277 O ALA 701

278 CB ALA 701

279 N LEU 702

280 CA LEU 702

281 C LEU 702

282 O LEU 702

287 N TYR 703

288 CA TYR 703

291 CB TYR 703

292 CG TYR 703

293 CD1 TYR 703

294 CD2 TYR 703

295 CE1 TYR 703

296 CE2 TYR 703

297 CZ TYR 703

298 OH TYR 703

304 CG LYS 704

305 CD LYS 704

306 CE LYS 704

307 NZ LYS 704

317 CA LEU 706

318 C LEU 706

Page 251: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

239

319 O LEU 706

334 C HIS 708

335 O HIS 708

336 CB HIS 708

337 CG HIS 708

339 CD2 HIS 708

344 C SER 709

345 O SER 709

349 CA LYS 710

350 C LYS 710

351 O LYS 710

352 CB LYS 710

353 CG LYS 710

354 CD LYS 710

355 CE LYS 710

356 NZ LYS 710

357 N GLU 711

359 C GLU 711

360 O GLU 711

363 CD GLU 711

364 OE1 GLU 711

365 OE2 GLU 711

366 N SER 712

367 CA SER 712

380 C CYS 714

Page 252: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

240

381 O CYS 714

382 CB CYS 714

383 SG CYS 714

384 N SER 715

385 CA SER 715

386 C SER 715

387 O SER 715

388 CB SER 715

389 OG SER 715

408 CB THR 718

409 OG1 THR 718

410 CG2 THR 718

416 CG ASN 719

417 OD1 ASN 719

418 ND2 ASN 719

538 CA LYS 735

539 C LYS 735

540 O LYS 735

541 CB LYS 735

542 CG LYS 735

543 CD LYS 735

546 N ALA 736

547 CA ALA 736

548 C ALA 736

549 O ALA 736

Page 253: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

241

551 N ASP 737

555 CB ASP 737

556 CG ASP 737

557 OD1 ASP 737

558 OD2 ASP 737

580 CA ARG 740

581 C ARG 740

582 O ARG 740

583 CB ARG 740

590 N SER 741

591 CA SER 741

592 C SER 741

593 O SER 741

596 N VAL 742

597 CA VAL 742

598 C VAL 742

599 O VAL 742

600 CB VAL 742

601 CG1 VAL 742

602 CG2 VAL 742

603 N ARG 743

604 CA ARG 743

605 C ARG 743

606 O ARG 743

614 N ILE 744

Page 254: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

242

615 CA ILE 744

618 CB ILE 744

619 CG1 ILE 744

621 CD1 ILE 744

695 CA PRO 754

696 C PRO 754

697 O PRO 754

698 CB PRO 754

972 O HIS 790

975 ND1 HIS 790

977 CE1 HIS 790

980 CA ARG 791

981 C ARG 791

982 O ARG 791

983 CB ARG 791

984 CG ARG 791

986 NE ARG 791

987 CZ ARG 791

989 NH2 ARG 791

990 N ASP 792

991 CA ASP 792

992 C ASP 792

993 O ASP 792

994 CB ASP 792

995 CG ASP 792

Page 255: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

243

996 OD1 ASP 792

997 OD2 ASP 792

1000 C LEU 793

1001 O LEU 793

1010 CB ALA 794

1011 N ALA 795

1015 CB ALA 795

1017 CA ARG 796

1018 C ARG 796

1019 O ARG 796

1020 CB ARG 796

1021 CG ARG 796

1022 CD ARG 796

1023 NE ARG 796

1024 CZ ARG 796

1025 NH1 ARG 796

1026 NH2 ARG 796

1027 N ASN 797

1028 CA ASN 797

1031 CB ASN 797

1034 ND2 ASN 797

1127 CB CYS 809

1132 O ASP 810

1136 OD2 ASP 810

1154 C LEU 813

Page 256: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

244

1155 O LEU 813

1156 CB LEU 813

1158 CD1 LEU 813

1160 N ALA 814

1161 CA ALA 814

1164 CB ALA 814

1178 C ASP 816

1179 O ASP 816

1180 CB ASP 816

1181 CG ASP 816

1183 OD2 ASP 816

1184 N ILE 817

1185 CA ILE 817

1187 O ILE 817

1188 CB ILE 817

1189 CG1 ILE 817

1190 CG2 ILE 817

1191 CD1 ILE 817

1194 C LYS 818

1195 O LYS 818

1211 C ASP 820

1212 O ASP 820

1218 CA SER 821

1219 C SER 821

1220 O SER 821

Page 257: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

245

1221 CB SER 821

1222 OG SER 821

1223 N ASN 822

1224 CA ASN 822

1225 C ASN 822

1231 N TYR 823

1232 CA TYR 823

1235 CB TYR 823

1236 CG TYR 823

1238 CD2 TYR 823

1240 CE2 TYR 823

1243 N VAL 824

1245 C VAL 824

1246 O VAL 824

1247 CB VAL 824

1248 CG1 VAL 824

1249 CG2 VAL 824

1250 N VAL 825

1251 CA VAL 825

1255 CG1 VAL 825

1256 CG2 VAL 825

1257 N LYS 826

1261 CB LYS 826

1263 CD LYS 826

1265 NZ LYS 826

Page 258: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

246

1271 CA ASN 828

1272 C ASN 828

1274 CB ASN 828

1275 CG ASN 828

1276 OD1 ASN 828

1278 N ALA 829

1279 CA ALA 829

1282 CB ALA 829

1306 CB PRO 832

1307 CG PRO 832

1316 N LYS 834

1317 CA LYS 834

1318 C LYS 834

1319 O LYS 834

1320 CB LYS 834

1325 N TRP 835

1326 CA TRP 835

1327 C TRP 835

1328 O TRP 835

1329 CB TRP 835

1335 CE3 TRP 835

1351 CB ALA 837

1360 CA GLU 839

1361 C GLU 839

1363 CB GLU 839

Page 259: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

247

1368 N SER 840

1369 CA SER 840

1371 O SER 840

1372 CB SER 840

1373 OG SER 840

1406 SG CYS 844

1428 C THR 847

1429 O THR 847

1430 CB THR 847

1432 CG2 THR 847

1433 N PHE 848

1434 CA PHE 848

1437 CB PHE 848

1438 CG PHE 848

1439 CD1 PHE 848

1464 CG ASP 851

1465 OD1 ASP 851

1466 OD2 ASP 851

1468 CA VAL 852

1469 C VAL 852

1470 O VAL 852

1474 N TRP 853

1475 CA TRP 853

1476 C TRP 853

1477 O TRP 853

Page 260: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

248

1481 CD2 TRP 853

1484 CE3 TRP 853

1486 CZ3 TRP 853

1487 CH2 TRP 853

1488 N SER 854

1489 CA SER 854

1492 CB SER 854

1493 OG SER 854

1515 CG1 ILE 857

1517 CD1 ILE 857

1538 CA TRP 860

1539 C TRP 860

1540 O TRP 860

1541 CB TRP 860

1542 CG TRP 860

1543 CD1 TRP 860

1544 CD2 TRP 860

1545 NE1 TRP 860

1546 CE2 TRP 860

1551 N GLU 861

1553 C GLU 861

1554 O GLU 861

1782 SD MET 889

1783 CE MET 889

2092 CG GLN 927

Page 261: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

249

2093 CD GLN 927

2094 OE1 GLN 927

2095 NE2 GLN 927

Predicted site 2

Site Volume: 1230 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-726, -714, -642)

Max Coords: (-700, -690, -611)

1244 CA VAL 824

1245 C VAL 824

1246 O VAL 824

1250 N VAL 825

1251 CA VAL 825

1252 C VAL 825

1253 O VAL 825

1257 N LYS 826

1258 CA LYS 826

1259 C LYS 826

1261 CB LYS 826

1262 CG LYS 826

Page 262: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

250

1266 N GLY 827

1267 CA GLY 827

1268 C GLY 827

1269 O GLY 827

1270 N ASN 828

1271 CA ASN 828

1277 ND2 ASN 828

1290 NE ARG 830

1291 CZ ARG 830

1292 NH1 ARG 830

1293 NH2 ARG 830

1298 CB LEU 831

1299 CG LEU 831

1300 CD1 LEU 831

1301 CD2 LEU 831

1395 C ASN 843

1396 O ASN 843

1397 CB ASN 843

1398 CG ASN 843

1399 OD1 ASN 843

1400 ND2 ASN 843

1423 CE2 TYR 846

1424 CZ TYR 846

1425 OH TYR 846

1431 OG1 THR 847

Page 263: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

251

1525 CD2 PHE 858

1526 CE1 PHE 858

1527 CE2 PHE 858

1528 CZ PHE 858

1535 CD1 LEU 859

1536 CD2 LEU 859

1586 CA LEU 865

1588 O LEU 865

1590 CG LEU 865

1591 CD1 LEU 865

1604 CA SER 868

1605 C SER 868

1606 O SER 868

1607 CB SER 868

1608 OG SER 868

1609 N PRO 869

1610 CA PRO 869

1611 C PRO 869

1612 O PRO 869

1613 CB PRO 869

1614 CG PRO 869

1615 CD PRO 869

1629 CA PRO 871

1630 C PRO 871

1631 O PRO 871

Page 264: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

252

1632 CB PRO 871

1633 CG PRO 871

1635 N GLY 872

1636 CA GLY 872

1637 C GLY 872

1638 O GLY 872

1639 N MET 873

1640 CA MET 873

1644 CG MET 873

1648 CA PRO 874

1649 C PRO 874

1650 O PRO 874

1651 CB PRO 874

1656 C VAL 875

1657 O VAL 875

1658 CB VAL 875

1659 CG1 VAL 875

1660 CG2 VAL 875

1662 CA ASP 876

1663 C ASP 876

1664 O ASP 876

1665 CB ASP 876

1666 CG ASP 876

1667 OD1 ASP 876

1668 OD2 ASP 876

Page 265: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

253

1669 N SER 877

1670 CA SER 877

1671 C SER 877

1672 O SER 877

1673 CB SER 877

1675 N LYS 878

1676 CA LYS 878

1677 C LYS 878

1678 O LYS 878

1679 CB LYS 878

1680 CG LYS 878

1681 CD LYS 878

1682 CE LYS 878

1683 NZ LYS 878

1684 N PHE 879

1685 CA PHE 879

1686 C PHE 879

1687 O PHE 879

1688 CB PHE 879

1689 CG PHE 879

1690 CD1 PHE 879

1692 CE1 PHE 879

1695 N TYR 880

1696 CA TYR 880

1699 CB TYR 880

Page 266: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

254

1718 C MET 882

1719 O MET 882

1720 CB MET 882

1721 CG MET 882

1723 CE MET 882

1725 CA ILE 883

1726 C ILE 883

1727 O ILE 883

1728 CB ILE 883

1729 CG1 ILE 883

1730 CG2 ILE 883

1731 CD1 ILE 883

1751 CA GLY 886

1752 C GLY 886

1753 O GLY 886

1754 N PHE 887

1755 CA PHE 887

1758 CB PHE 887

1760 CD1 PHE 887

1762 CE1 PHE 887

1780 CB MET 889

1781 CG MET 889

1799 CA PRO 892

1800 C PRO 892

1801 O PRO 892

Page 267: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

255

1802 CB PRO 892

1805 N GLU 893

1806 CA GLU 893

1807 C GLU 893

1808 O GLU 893

1809 CB GLU 893

1810 CG GLU 893

1814 N HIS 894

1815 CA HIS 894

1818 CB HIS 894

1819 CG HIS 894

1820 ND1 HIS 894

1830 CA PRO 896

1831 C PRO 896

1833 CB PRO 896

1834 CG PRO 896

1836 N ALA 897

1837 CA ALA 897

1838 C ALA 897

1839 O ALA 897

1840 CB ALA 897

1842 CA GLU 898

1843 C GLU 898

1845 CB GLU 898

1846 CG GLU 898

Page 268: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

256

1847 CD GLU 898

1848 OE1 GLU 898

1849 OE2 GLU 898

1850 N MET 899

1853 O MET 899

1854 CB MET 899

1855 CG MET 899

1874 CB ASP 901

1875 CG ASP 901

1876 OD1 ASP 901

1877 OD2 ASP 901

1881 O ILE 902

1888 C MET 903

1889 O MET 903

1894 N LYS 904

1895 CA LYS 904

1896 C LYS 904

1897 O LYS 904

1899 CG LYS 904

1901 CE LYS 904

1916 N TRP 907

1917 CA TRP 907

1920 CB TRP 907

1921 CG TRP 907

1922 CD1 TRP 907

Page 269: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

257

1923 CD2 TRP 907

1925 CE2 TRP 907

1926 CE3 TRP 907

1928 CZ3 TRP 907

1937 OD2 ASP 908

2030 CA ILE 920

2031 C ILE 920

2032 O ILE 920

2033 CB ILE 920

2034 CG1 ILE 920

2053 N LEU 923

2054 CA LEU 923

2055 C LEU 923

2056 O LEU 923

2057 CB LEU 923

2058 CG LEU 923

2059 CD1 LEU 923

2060 CD2 LEU 923

2061 N ILE 924

2062 CA ILE 924

2064 O ILE 924

2065 CB ILE 924

2067 CG2 ILE 924

2069 N GLU 925

2070 CA GLU 925

Page 270: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

258

2071 C GLU 925

2072 O GLU 925

2073 CB GLU 925

2074 CG GLU 925

2075 CD GLU 925

2076 OE1 GLU 925

2077 OE2 GLU 925

2080 C LYS 926

2087 N GLN 927

2088 CA GLN 927

2091 CB GLN 927

2092 CG GLN 927

2093 CD GLN 927

2094 OE1 GLN 927

2095 NE2 GLN 927

2115 CG GLU 930

Predicted site 3

Site Volume: 643 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-723, -718, -618)

Max Coords: (-697, -696, -593)

Page 271: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

259

688 CA THR 753

690 O THR 753

691 CB THR 753

692 OG1 THR 753

693 CG2 THR 753

710 CB ILE 756

712 CG2 ILE 756

713 CD1 ILE 756

714 N MET 757

719 CG MET 757

720 SD MET 757

721 CE MET 757

743 CB ASP 760

744 CG ASP 760

745 OD1 ASP 760

746 OD2 ASP 760

758 C LEU 762

759 O LEU 762

760 CB LEU 762

766 C ALA 763

767 O ALA 763

768 CB ALA 763

769 N LEU 764

770 CA LEU 764

Page 272: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

260

771 C LEU 764

772 O LEU 764

774 CG LEU 764

775 CD1 LEU 764

776 CD2 LEU 764

777 N ASP 765

790 CG LEU 766

792 CD2 LEU 766

806 CB ASP 768

807 CG ASP 768

808 OD1 ASP 768

809 OD2 ASP 768

811 CA LEU 769

812 C LEU 769

813 O LEU 769

814 CB LEU 769

815 CG LEU 769

816 CD1 LEU 769

817 CD2 LEU 769

819 CA LEU 770

820 C LEU 770

821 O LEU 770

822 CB LEU 770

823 CG LEU 770

824 CD1 LEU 770

Page 273: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

261

825 CD2 LEU 770

836 CB PHE 772

838 CD1 PHE 772

840 CE1 PHE 772

847 CB SER 773

848 OG SER 773

849 N TYR 774

850 CA TYR 774

1058 CD2 LEU 800

1424 CZ TYR 846

1425 OH TYR 846

1435 C PHE 848

1436 O PHE 848

1438 CG PHE 848

1440 CD2 PHE 848

1442 CE2 PHE 848

1443 CZ PHE 848

1445 CA GLU 849

1446 C GLU 849

1447 O GLU 849

1448 CB GLU 849

1449 CG GLU 849

1450 CD GLU 849

1451 OE1 GLU 849

1452 OE2 GLU 849

Page 274: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

262

1453 N SER 850

1454 CA SER 850

1455 C SER 850

1456 O SER 850

1458 OG SER 850

1472 CG1 VAL 852

1473 CG2 VAL 852

1898 CB LYS 904

1899 CG LYS 904

1900 CD LYS 904

1934 CB ASP 908

1935 CG ASP 908

1936 OD1 ASP 908

1937 OD2 ASP 908

1938 N ALA 909

1939 CA ALA 909

1940 C ALA 909

1941 O ALA 909

1942 CB ALA 909

1945 C ASP 910

1946 O ASP 910

1952 CA PRO 911

1955 CB PRO 911

1956 CG PRO 911

1958 N LEU 912

Page 275: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

263

1987 CA PRO 915

1988 C PRO 915

1989 O PRO 915

1990 CB PRO 915

1991 CG PRO 915

1992 CD PRO 915

1994 CA THR 916

1995 C THR 916

1996 O THR 916

1997 CB THR 916

1998 OG1 THR 916

1999 CG2 THR 916

2015 CB LYS 918

2017 CD LYS 918

2019 NZ LYS 918

2024 CB GLN 919

2025 CG GLN 919

2026 CD GLN 919

2027 OE1 GLN 919

2028 NE2 GLN 919

2034 CG1 ILE 920

2169 OH TYR 936

2199 C ASN 941

2200 O ASN 941

2201 CB ASN 941

Page 276: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

264

2202 CG ASN 941

2203 OD1 ASN 941

2204 ND2 ASN 941

2205 N CYS 942

2206 CA CYS 942

2210 SG CYS 942

Predicted site 4

Site Volume: 441 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-738, -732, -627)

Max Coords: (-721, -707, -595)

86 CD1 LEU 678

87 CD2 LEU 678

102 OD1 ASN 680

118 O LEU 682

124 CA ARG 683

127 CB ARG 683

129 CD ARG 683

130 NE ARG 683

131 CZ ARG 683

Page 277: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

265

132 NH1 ARG 683

133 NH2 ARG 683

153 NZ LYS 685

169 CB ASP 687

170 CG ASP 687

171 OD1 ASP 687

172 OD2 ASP 687

249 CB HIS 697

250 CG HIS 697

251 ND1 HIS 697

252 CD2 HIS 697

253 CE1 HIS 697

254 NE2 HIS 697

264 CB GLU 699

265 CG GLU 699

401 O SER 717

405 CA THR 718

407 O THR 718

408 CB THR 718

410 CG2 THR 718

420 CA GLU 720

421 C GLU 720

422 O GLU 720

423 CB GLU 720

428 N TYR 721

Page 278: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

266

429 CA TYR 721

432 CB TYR 721

433 CG TYR 721

434 CD1 TYR 721

435 CD2 TYR 721

436 CE1 TYR 721

437 CE2 TYR 721

438 CZ TYR 721

439 OH TYR 721

500 O TYR 730

501 CB TYR 730

502 CG TYR 730

503 CD1 TYR 730

504 CD2 TYR 730

505 CE1 TYR 730

506 CE2 TYR 730

507 CZ TYR 730

508 OH TYR 730

521 CG1 VAL 732

522 CG2 VAL 732

544 CE LYS 735

618 CB ILE 744

619 CG1 ILE 744

620 CG2 ILE 744

621 CD1 ILE 744

Page 279: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

267

630 CB SER 746

631 OG SER 746

635 O TYR 747

645 CA ILE 748

650 CG2 ILE 748

651 CD1 ILE 748

652 N GLU 749

654 C GLU 749

655 O GLU 749

663 C ARG 750

664 O ARG 750

672 N ASP 751

673 CA ASP 751

674 C ASP 751

675 O ASP 751

680 N VAL 752

686 CG2 VAL 752

959 CB CYS 788

960 SG CYS 788

961 N ILE 789

963 C ILE 789

964 O ILE 789

965 CB ILE 789

985 CD ARG 791

988 NH1 ARG 791

Page 280: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

268

1047 CB LEU 799

1048 CG LEU 799

1049 CD1 LEU 799

1050 CD2 LEU 799

1124 CA CYS 809

1125 C CYS 809

1127 CB CYS 809

1128 SG CYS 809

1129 N ASP 810

1130 CA ASP 810

1131 C ASP 810

1135 OD1 ASP 810

1137 N PHE 811

1140 O PHE 811

1149 CA GLY 812

1150 C GLY 812

1151 O GLY 812

1152 N LEU 813

1157 CG LEU 813

1158 CD1 LEU 813

1159 CD2 LEU 813

1162 C ALA 814

1164 CB ALA 814

1165 N ARG 815

1166 CA ARG 815

Page 281: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

269

1169 CB ARG 815

1171 CD ARG 815

1183 OD2 ASP 816

1345 SD MET 836

1346 CE MET 836

Predicted site 5

Site Volume: 255 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-726, -720, -618)

Max Coords: (-704, -705, -602)

834 C PHE 772

835 O PHE 772

836 CB PHE 772

843 N SER 773

844 CA SER 773

845 C SER 773

846 O SER 773

847 CB SER 773

848 OG SER 773

874 CB VAL 776

Page 282: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

270

875 CG1 VAL 776

876 CG2 VAL 776

877 N ALA 777

878 CA ALA 777

881 CB ALA 777

999 CA LEU 793

1000 C LEU 793

1001 O LEU 793

1002 CB LEU 793

1003 CG LEU 793

1004 CD1 LEU 793

1005 CD2 LEU 793

1006 N ALA 794

1007 CA ALA 794

1008 C ALA 794

1009 O ALA 794

1011 N ALA 795

1012 CA ALA 795

1030 O ASN 797

1033 OD1 ASN 797

1040 CG1 ILE 798

1041 CG2 ILE 798

1042 CD1 ILE 798

1121 CG2 ILE 808

1248 CG1 VAL 824

Page 283: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

271

1249 CG2 VAL 824

1388 CD1 PHE 842

1390 CE1 PHE 842

1402 CA CYS 844

1403 C CYS 844

1404 O CYS 844

1405 CB CYS 844

1407 N VAL 845

1408 CA VAL 845

1410 O VAL 845

1411 CB VAL 845

1412 CG1 VAL 845

1413 CG2 VAL 845

1437 CB PHE 848

1438 CG PHE 848

1439 CD1 PHE 848

1440 CD2 PHE 848

1442 CE2 PHE 848

1449 CG GLU 849

1450 CD GLU 849

1451 OE1 GLU 849

1452 OE2 GLU 849

2013 C LYS 918

2020 N GLN 919

2021 CA GLN 919

Page 284: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

272

2025 CG GLN 919

2026 CD GLN 919

2027 OE1 GLN 919

2028 NE2 GLN 919

2049 CG GLN 922

2050 CD GLN 922

2051 OE1 GLN 922

2052 NE2 GLN 922

2137 CG ASN 933

2139 ND2 ASN 933

2162 CB TYR 936

2163 CG TYR 936

2164 CD1 TYR 936

2165 CD2 TYR 936

2166 CE1 TYR 936

2167 CE2 TYR 936

2168 CZ TYR 936

2169 OH TYR 936

Predicted site 6

Site Volume: 161 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Page 285: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

273

Min Coords: (-747, -733, -611)

Max Coords: (-731, -718, -598)

2 CA VAL 668

3 C VAL 668

4 O VAL 668

11 O ILE 669

12 CB ILE 669

14 CG2 ILE 669

15 CD1 ILE 669

28 CG GLU 671

29 CD GLU 671

30 OE1 GLU 671

31 OE2 GLU 671

157 O ARG 686

162 CZ ARG 686

163 NH1 ARG 686

164 NH2 ARG 686

195 CG1 ILE 690

197 CD1 ILE 690

227 NE2 GLN 694

238 CA ASP 696

239 C ASP 696

240 O ASP 696

241 CB ASP 696

Page 286: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

274

242 CG ASP 696

243 OD1 ASP 696

244 OD2 ASP 696

245 N HIS 697

246 CA HIS 697

247 C HIS 697

248 O HIS 697

255 N ALA 698

256 CA ALA 698

259 CB ALA 698

527 CB PRO 733

528 CG PRO 733

532 C THR 734

533 O THR 734

534 CB THR 734

535 OG1 THR 734

536 CG2 THR 734

537 N LYS 735

546 N ALA 736

550 CB ALA 736

605 C ARG 743

606 O ARG 743

607 CB ARG 743

609 CD ARG 743

614 N ILE 744

Page 287: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

275

615 CA ILE 744

616 C ILE 744

622 N GLY 745

623 CA GLY 745

624 C GLY 745

626 N SER 746

Predicted site 7

Site Volume: 95 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-720, -716, -640)

Max Coords: (-707, -704, -626)

1276 OD1 ASN 828

1277 ND2 ASN 828

1730 CG2 ILE 883

1735 O LYS 884

1743 C GLU 885

1744 O GLU 885

1745 CB GLU 885

1750 N GLY 886

1751 CA GLY 886

Page 288: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

276

1766 CA ARG 888

1767 C ARG 888

1768 O ARG 888

1769 CB ARG 888

1771 CD ARG 888

1776 N MET 889

1777 CA MET 889

1781 CG MET 889

1782 SD MET 889

2079 CA LYS 926

2080 C LYS 926

2082 CB LYS 926

2087 N GLN 927

2091 CB GLN 927

2096 N ILE 928

2101 CG1 ILE 928

2103 CD1 ILE 928

Predicted site 8

Site Volume: 95 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-722, -724, -623)

Page 289: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

277

Max Coords: (-709, -712, -613)

902 CE MET 780

928 CA ALA 784

931 CB ALA 784

958 O CYS 788

966 CG1 ILE 789

1353 CA PRO 838

1354 C PRO 838

1355 O PRO 838

1356 CB PRO 838

1366 OE1 GLU 839

1375 CA ILE 841

1376 C ILE 841

1378 CB ILE 841

1380 CG2 ILE 841

1381 CD1 ILE 841

1382 N PHE 842

1383 CA PHE 842

1386 CB PHE 842

1388 CD1 PHE 842

2132 N ASN 933

2133 CA ASN 933

2136 CB ASN 933

2137 CG ASN 933

Page 290: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

278

2138 OD1 ASN 933

2139 ND2 ASN 933

Predicted site 9

Site Volume: 55 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-750, -730, -615)

Max Coords: (-740, -719, -604)

1 N VAL 668

2 CA VAL 668

7 CG2 VAL 668

547 CA ALA 736

548 C ALA 736

549 O ALA 736

550 CB ALA 736

551 N ASP 737

552 CA ASP 737

553 C ASP 737

559 N LYS 738

560 CA LYS 738

562 O LYS 738

Page 291: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

279

563 CB LYS 738

564 CG LYS 738

591 CA SER 741

592 C SER 741

593 O SER 741

594 CB SER 741

596 N VAL 742

597 CA VAL 742

603 N ARG 743

607 CB ARG 743

608 CG ARG 743

609 CD ARG 743

610 NE ARG 743

611 CZ ARG 743

612 NH1 ARG 743

613 NH2 ARG 743

Predicted site 10

Site Volume: 24 Cubic Angstroms

Protein Volume: 25273 Cubic Angstroms

Min Coords: (-729, -708, -628)

Max Coords: (-721, -699, -619)

Page 292: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

280

1227 CB ASN 822

1228 CG ASN 822

1229 OD1 ASN 822

1230 ND2 ASN 822

1254 CB VAL 825

1255 CG1 VAL 825

1256 CG2 VAL 825

1288 CG ARG 830

1584 OG SER 864

Page 293: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

281

Page 294: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

282

Wire Frame:-

Back Bone:-

Page 295: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

283

Sticks:-

Space fill:-

Page 296: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

284

Ball and Sticks:-

Ribbons:-

Page 297: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

285

Strands:-

Page 298: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

286

Page 299: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

287

Individual Docking Print Screens (ArgusLab, 2009)

702 LEU- Brotezomib

680 ASN Buslfan

Page 300: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

288

681 PHE - Hydroxyurea

699 GLU - Ifosfamide

Page 301: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

289

700 ALA - Leutrol

Page 302: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

290

Similar Molecules Print Screens (ArgusLab, 2009) 1-methoxy-4-methylsulfonyloxy-butane

Dichlorphenyloxyurea

Page 303: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

291

Glufosfamide

Ifosfamide mustard

Page 304: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

292

Ifosfamide mustard

Mannogranol

Page 305: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

293

Mesna

Methylolurea

Page 306: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

294

Myleran

N,N-diethyl-N'-hydroxyurea

Page 307: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

295

Velcade

ZILEUTON

Page 308: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

296

Page 309: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

297

FINAL MOLECULE IN ARGUS LAB :- DICLOROPHENYLOXYUREA (ArgusLab, 2009)

HIGHEST OCCUPIED MOLECULAR ORBITAL (HOMO) SURFACE

Page 310: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

298

LOWEST UNOCCUPIED MOLECULAR ORBITAL (LUMO) SURFACE

ELECTROSTATIC POTENTIAL MAPPED DENSITY

Page 311: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

299

FINAL MOLECULE IN HYPERCHEM

SINGLE POINT

Page 312: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

300

GEOMETRY OPTIMIZATION

FINAL MOLECULE WITH QSAR PROPERTIES (QSAR, 2009):

Page 313: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

301

QSAR PROPERTIES

Partial Charge Net Charge= 0.00e

Surface Area(Approx)= 401.20A02

Surface Area(Grid)= 354.46A02

Volume= 533.85 A03

Hydration Energy= -5.77Kcal/mol

Log p= 1.06

Refractivity= 43.13A03

Polarizability= 17.63 A03

Mass= 215.00 amu

Page 314: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

302

Page 315: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

303

FINAL MOL IN CAChe (CAChe, 2009):

FINAL MOL AFTER UV-VISIBLE TRANSITION:

Page 316: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

304

UV VISIBLE TRANSITION GRAPH:

FINAL MOL AFTER IR TRANSITION:

Page 317: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

305

IR TRANSITION GRAPH:

Page 318: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

306

Page 319: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

307

680asn

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.83547

2. Dichlorphenyloxyurea -6.29333

3. Methylolurea -5.52455

4. Mannogranol -3.76273

5. N,N-diethyl-N'-hydroxyurea -2.17357

Elapsed time for calculation = 33 seconds

Phe681

681phe

Summary of results in order of docking score (kcal/mol)

********************************************************

1. Dichlorphenyloxyurea -7.38248

2. mesna -7.08203

3. Methylolurea -5.54045

4. Mannogranol -2.87791

5. N,N-diethyl-N'-hydroxyurea -2.25558

LEU 682

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -7.49889

2. Dichlorphenyloxyurea -7.42679

Page 320: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

308

3. Methylolurea -5.50996

4. Mannogranol -3.46054

5. N,N-diethyl-N'-hydroxyurea -2.06696

ARG 683

Summary of results in order of docking score (kcal/mol)

********************************************************

1. Dichlorphenyloxyurea -7.51376

2. mesna -7.20128

3. Methylolurea -5.51805

4. Mannogranol -3.89684

5. N,N-diethyl-N'-hydroxyurea -2.49132

ARG 684

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.77809

2. Dichlorphenyloxyurea -5.80198

3. Methylolurea -5.24809

4. Mannogranol -3.19356

5. N,N-diethyl-N'-hydroxyurea -2.00335

GLU 699

Summary of results in order of docking score (kcal/mol)

********************************************************

Page 321: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

309

1. Dichlorphenyloxyurea -7.90479

2. mesna -6.30299

3. Methylolurea -5.01062

4. Mannogranol -2.10376

5. N,N-diethyl-N'-hydroxyurea -2.06706

ALA 700

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.17359

2. Dichlorphenyloxyurea -5.75419

3. Methylolurea -5.22776

4. Mannogranol -2.87899

5. N,N-diethyl-N'-hydroxyurea -1.70079

ALA 701

Summary of results in order of docking score (kcal/mol)

********************************************************

1. Dichlorphenyloxyurea -6.22009

2. mesna -6.09249

3. Methylolurea -4.98302

4. Mannogranol -2.67182

5. N,N-diethyl-N'-hydroxyurea -1.83188

LEU 702

Page 322: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

310

Summary of results in order of docking score (kcal/mol)

********************************************************

1. Dichlorphenyloxyurea -6.09421

2. Methylolurea -4.99511

3. mesna -4.74083

4. Mannogranol -2.38363

5. N,N-diethyl-N'-hydroxyurea -1.82024

TYR 703

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.23621

2. Dichlorphenyloxyurea -6.1831

3. Methylolurea -5.33204

4. Mannogranol -2.44151

5. N,N-diethyl-N'-hydroxyurea -1.95901

LYS 704

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.42078

2. Dichlorphenyloxyurea -5.74163

3. Methylolurea -4.97795

4. Mannogranol -2.23422

5. N,N-diethyl-N'-hydroxyurea -2.05443

Page 323: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

311

LEU 706

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.85786

2. Dichlorphenyloxyurea -6.17681

3. Methylolurea -5.39481

4. Mannogranol -2.70755

5. N,N-diethyl-N'-hydroxyurea -1.95179

HIS 708

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -5.99358

2. Dichlorphenyloxyurea -5.74579

3. Methylolurea -5.02035

4. Mannogranol -2.75884

5. N,N-diethyl-N'-hydroxyurea -1.94941

SER 709

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.03026

2. Dichlorphenyloxyurea -5.65809

3. Methylolurea -5.14525

Page 324: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

312

4. Mannogranol -2.47257

5. N,N-diethyl-N'-hydroxyurea -1.38721

LYS 710

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.47998

2. Dichlorphenyloxyurea -6.19609

3. Methylolurea -4.99425

4. Mannogranol -2.26407

5. N,N-diethyl-N'-hydroxyurea -1.7373

GLU 711

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.41158

2. Methylolurea -5.14803

3. Dichlorphenyloxyurea -5.01222

4. Mannogranol -2.31393

5. N,N-diethyl-N'-hydroxyurea -1.42509

SER 712

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.43851

Page 325: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

313

2. Methylolurea -4.97809

3. Dichlorphenyloxyurea -4.95741

4. Mannogranol -1.91657

5. N,N-diethyl-N'-hydroxyurea -1.6608

CYS 714

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.48801

2. Dichlorphenyloxyurea -5.99383

3. Methylolurea -5.26983

4. Mannogranol -1.89502

5. N,N-diethyl-N'-hydroxyurea -1.60012

SER 715

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.48798

2. Dichlorphenyloxyurea -5.93043

3. Methylolurea -5.13367

4. Mannogranol -2.53956

5. N,N-diethyl-N'-hydroxyurea -1.63789

THR 718

Summary of results in order of docking score (kcal/mol)

Page 326: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

314

********************************************************

1. Dichlorphenyloxyurea -8.0916

2. mesna -6.37805

3. Methylolurea -5.00683

4. N,N-diethyl-N'-hydroxyurea -2.68111

5. Mannogranol -2.19805

ASN 719

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.54038

2. Dichlorphenyloxyurea -5.5934

3. Methylolurea -4.98243

4. Mannogranol -2.08938

5. N,N-diethyl-N'-hydroxyurea -1.95906

LYS 735

Summary of results in order of docking score (kcal/mol)

********************************************************

1. Dichlorphenyloxyurea -7.69478

2. mesna -6.44391

3. Methylolurea -5.10646

Page 327: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

315

4. Mannogranol -2.05962

5. N,N-diethyl-N'-hydroxyurea -1.92899

ALA 736

Summary of results in order of docking score (kcal/mol)

********************************************************

1. mesna -6.20818

2. Dichlorphenyloxyurea -5.98871

3. Methylolurea -5.35323

4. Mannogranol -2.03904

5. N,N-diethyl-N'-hydroxyurea -1.64999

Page 328: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

316

Page 329: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

317

CONCLUSION

Specific protein causing the disease is identified as Leukemia. Homology modeling of the

protein is done using SPDBV (Swiss PDB Viewer). Active site analysis is done through Q

site finder method and the active site amino acids are noted. Standard available market drugs

targeting the protein were identified as follows:

1 Brotezomib

2 Buslfan

3 Hydroxyurea

4 Ifosfamide

5 Leutrol

Similar molecules (10-15) for these standard molecules were modeled using Argus Lab. A

database is created with all these molecules in Vega ZZ

Virtual Screening of these drugs is done through protein database docking method. The

results obtained show that DICLOROPHENYLOXYUREA is interacting at the lowest

energy level with all the amino acids in the potential active site. So, we consider that ligand

as the potential lead molecule to target the protein in treating the disease

Page 330: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

318

Page 331: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

319

REFERENCE

� (ArgusLab, 2009)

ArgusLab. (2009). molecular modeling, graphics, and drug design program. (Biomed

Bioinformatice, Medwin Hospitals: Hyderabad, India).

� (CAChe, 2009)

CAChe. (2009). CAChe chemical tool. (Biomed Bioinformatice, Medwin Hospitals:

Hyderabad, India).

� (Cavity, 2009)

Cavity. (2009). Spdbv tool license agreement for the usage of Cavity viewer. (Biomed

Bioinformatice, Medwin Hospitals: Hyderabad, India), Available from Swiss-Pdb database.

� (ClustalW, 2009)

ClustalW. (2009). Clustalw tool for multiple sequence alignment. (European Molecular

Biology Laboratory: Hinxton, Cambridgeshire, UK), Available from EBI. Retrieved from

http://www.ebi.ac.uk/Tools/msa/clustalw2/

� (F-Electronic PCR, 2009)

F-Electronic PCR. (2009). F-electronic pcr tool. (The National Center for Biotechnology

Information: Bethesda, USA), Available from NCBI. Retrieved from

http://www.ncbi.nlm.nih.gov/projects/e-pcr/forward.cgi

Page 332: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

320

� (Genscan, 2009)

Genscan. (2009). Genscan tool, identification of complete gene structures in genomic dna.

(Stanford University), Available from The GENSCAN Web Server at MIT. Retrieved from

http://genes.mit.edu/GENSCAN.html

� (Genpept, 2009)

Genpept. (2009). Genpept tool for mast/stem cell growth factor receptor kit isoform 1

precursor [homo sapiens]. (The National Center for Biotechnology Information: Bethesda,

USA), Available from NCBI. Retrieved from http://www.ncbi.nlm.nih.gov/protein/4557695

� (GOR IV, 2009)

GOR IV. (2009). Gor iv secondary structure prediction method. (Pôle BioInformatique

Lyonnais: Lyon, France), Available from NPSA. Retrieved from http://npsa-pbil.ibcp.fr/cgi-

bin/npsa_automat.pl?page=npsa_gor4.html

� (kumar, 2002)

kumar, M. (2002). bioinformatics. Retrieved from

http://dmohankumar.files.wordpress.com/2012/08/bioinformatics.pdf

� levitra. (2002).

levitra. (2002). Cancer. Unpublished raw data, Org, UK. Retrieved from http://europe-

levitra.com/Cancer-articles-au-Cancer.html

Page 333: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

321

� MapViver, 2009

MapViver. (2009). Mapviver tool. (The National Center for Biotechnology Information:

Bethesda, USA), Available from NCBI. Retrieved from

http://www.ncbi.nlm.nih.gov/projects/mapview/map_search.cgi?taxid=9606&build=104.0

� NCBI. (2009)

NCBI. (2009). Gene responsible for chronic myelogenous leukemia. (The National Center for

Biotechnology Information: Bethesda, USA), Available from NCBI. Retrieved from

www.ncbi.nlm.nih.gov

� (NetAcet, 2009)

NetAcet. (2009). Netacet 1.0 server. (Technical University of Denmark)Retrieved from

http://www.cbs.dtu.dk/services/ NetAcet/

� (NetNGlyc, 2009)

NetNGlyc. (2009). Netnglyc 1.0 server. (Technical University of Denmark)Retrieved from

http://www.cbs.dtu.dk/services/NetNGlyc/

� (NetOGlyc, 2009)

NetOGlyc. (2009). Netgglyc 1.0 server. (Technical University of Denmark)Retrieved from

http://www.cbs.dtu.dk/services/NetOGlyc-3.1

� (NetPhos, 2009)

NetPhos. (2009). Netphos 2.0 server. (Technical University of Denmark)Retrieved from

http://www.cbs.dtu.dk/services/ NetPhos /

Page 334: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

322

� (NT-BLAST, 2009)

NT-BLAST. (2009). Standard nucleotide blast. (The National Center for Biotechnology

Information: Bethesda, USA), Available from NCBI. Retrieved from

http://blast.ncbi.nlm.nih.gov/Blast.cgi?PROGRAM=blastn&BLAST_PROGRAMS=megaBl

ast&PAGE_TYPE=BlastSearch&SHOW_DEFAULTS=on&LINK_LOC=blasthome

� ORF, 2009

ORF. (2009). Open reading frame finder. (The National Center for Biotechnology

Information: Bethesda, USA), Available from NCBI. Retrieved from

http://www.ncbi.nlm.nih.gov/gorf/gorf.html

� (Protein-Fasta, 2009)

Protein-Fasta. (2009). mast/stem cell growth factor receptor kit isoform 1 precursor [homo

sapiens]. (The National Center for Biotechnology Information: Bethesda, USA), Available

from NCBI. Retrieved from http://www.ncbi.nlm.nih.gov/protein/4557695?report=fasta

� (ProtScale, 2009)

ProtScale. (2009). Protscale tool. (SIB Swiss Institute of Bioinformatics), Available from

ExPASy-Expert Protein Analysis System. Retrieved from http://web.expasy.org/protscale/

� (Protparam, 2009)

Protparam. (2009). Protparam tool by sib swiss institute of bioinformatics. (SIB Swiss

Institute of Bioinformatics), Available from ExPASy-Expert Protein Analysis System.

Retrieved from http://web.expasy.org/protparam/

Page 335: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

323

� (QSAR, 2009):

QSAR. (2009). Qsar properties . (Biomed Bioinformatice, Medwin Hospitals: Hyderabad,

India).

� (Q-SiteFinder, 2009)

Q-SiteFinder. (2009). Q-sitefinder ligand binding site prediction. (University of

Leeds)Retrieved from http://www.modelling.leeds.ac.uk/qsitefinder/

� (RasMol, 2009)

RasMol. (2009). Rasmol and openrasmol molecular graphics visualisation tool. Available

from OpenRasMol. Retrieved from www.RasMol.org

� (R-Electronic PCR, 2009)

R-Electronic PCR. (2009). R-electronic pcr tool. (The National Center for Biotechnology

Information: Bethesda, USA), Available from NCBI. Retrieved from

http://www.ncbi.nlm.nih.gov/projects/e-pcr/reverse.cgi

� (SignalP, 2009)

SignalP. (2009). Signalp 4.1 server. (Technical University of Denmark)Retrieved from

http://www.cbs.dtu.dk/services/SignalP/

� (SOPMA, 2009)

Page 336: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

324

SOPMA. (2009). Sopma secondary structure prediction method. (Pôle BioInformatique

Lyonnais: Lyon, France), Available from NPSA. Retrieved from http://npsa-pbil.ibcp.fr/cgi-

bin/npsa_automat.pl?page=npsa_sopma.html

� (SPDBV, 2009)

SPDBV. (2009). Spdbv tool license agreement for the usage of swiss-pdbviewer. (Biomed

Bioinformatice, Medwin Hospitals: Hyderabad, India), Available from Swiss-Pdb database.

� (SOSUI, 2009)

SOSUI. (2009). Sosui: Submit a protein sequence. Retrieved from http://bp.nuap.nagoya-

u.ac.jp/sosui/sosui_submit.html

� (Sulfinator, 2009)

Sulfinator. (2009). The sulfinator tool. (SIB Swiss Institute of Bioinformatics), Available

from ExPASy-Expert Protein Analysis System. Retrieved from

http://web.expasy.org/sulfinator/

� (Vecscreen, 2009)

Vecscreen. (2009). Vecscreen tool. (The National Center for Biotechnology Information:

Bethesda, USA), Available from NCBI. Retrieved from

http://www.ncbi.nlm.nih.gov/tools/vecscreen/

Page 337: A PROJECT REPORT ON MOLECULAR MODELING ... 978-93-84648-61-9.pdfI also express my indebtedness to Ms. M.Srividya and Ms.B.Chandrakala who has constant inspiring for me to complete

Masters Research Project

325

ABOUT AUTHOR

Forensic Expert & Investigator

Fellow International Science Congress Association

Fellow-SIFS INDIA

M.Sc. in Forensic Science (Cambridge, UK)

M.Sc. in Bioinformatics (Delhi,India)

Microbiologist + Pharma Chemistry (DAVV-Indore, India)

October, 2012 after coming from Cambridge (UK) to India, I have started working with

Government Registered Organization SIFS INDIA where I use to deal with various types of

Forensic Services: such as Forensic Education, Forensic Investigation, Forensic Training,

Forensic Internship, Forensic Research, Security Services, and Scientific Equipment

Department. In SIFS INDIA, I have experience of taking fingerprints from dead bodies,

criminals and suspect, from crime scenes, Police Clearance Certificate (PCC) for private

organizations, visa immigrations and for FBI on real cases. In addition, I have also given my

expert reports, expert opinions after analyzing many hand writing, signature and fingerprints

cases, also MMS cases, case of motor vehicle identification, and case of voice forgery

reorganization.

Sharma Mahesh

Forensic Expert & Investigator