Full wwPDB EM Validation Report i - RCSBFull wwPDB EM Validation Report i Dec14,2020–11:55PMJST PDBID : 5Y81 EMDBID : EMD-6816 Title : NuA4TEEAAsub-complex Authors : Wang,X.;Cai,G

Full wwPDB EM Validation Report i○

Dec 14, 2020 – 11:55 PM JST

PDB ID : 5Y81EMDB ID : EMD-6816

Title : NuA4 TEEAA sub-complexAuthors : Wang, X.; Cai, G.

Deposited on : 2017-08-18Resolution : 4.70 Å(reported)

This is a Full wwPDB EM Validation Report for a publicly released PDB entry.

We welcome your comments at [email protected] user guide is available at

https://www.wwpdb.org/validation/2017/EMValidationReportHelpwith specific help available everywhere you see the i○ symbol.

The following versions of software and data (see references i○) were used in the production of this report:

EMDB validation analysis : 0.0.0.dev61MolProbity : 4.02b-467

Percentile statistics : 20191225.v01 (using entries in the PDB archive December 25th 2019)Ideal geometry (proteins) : Engh & Huber (2001)

Ideal geometry (DNA, RNA) : Parkinson et al. (1996)Validation Pipeline (wwPDB-VP) : 2.15.1

https://www.wwpdb.org/validation/2017/EMValidationReportHelp



https://www.wwpdb.org/validation/2017/EMValidationReportHelp#references

Page 2 Full wwPDB EM Validation Report EMD-6816, 5Y81

1 Overall quality at a glance i○

The following experimental techniques were used to determine the structure:ELECTRON MICROSCOPY

The reported resolution of this entry is 4.70 Å.

Percentile scores (ranging between 0-100) for global validation metrics of the entry are shown inthe following graphic. The table shows the number of entries on which the scores are based.

Metric Whole archive(#Entries)

EM structures(#Entries)

Clashscore 158937 4297Ramachandran outliers 154571 4023

Sidechain outliers 154315 3826

The table below summarises the geometric issues observed across the polymeric chains and their fitto the map. The red, orange, yellow and green segments of the bar indicate the fraction of residuesthat contain outliers for >=3, 2, 1 and 0 types of geometric quality criteria respectively. A greysegment represents the fraction of residues that are not modelled. The numeric value for eachfraction is indicated below the corresponding segment, with a dot representing fractions <=5%The upper red bar (where present) indicates the fraction of residues that have poor fit to the EMmap (all-atom inclusion < 40%). The numeric value is given above the bar.

Mol Chain Length Quality of chain

1 B 1115

2 C 336

3 D 500

4 H 279

5 A 2627

6 F 490

7 G 375

8 E 41

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#overall_quality


2 Entry composition i○

There are 8 unique types of molecules in this entry. The entry contains 25723 atoms, of which 0are hydrogens and 0 are deuteriums.

In the tables below, the AltConf column contains the number of residues with at least one atomin alternate conformation and the Trace column contains the number of residues modelled with atmost 2 atoms.

• Molecule 1 is a protein called Transcription-associated protein 1.

Mol Chain Residues Atoms AltConf Trace

1 B 981 Total C N O S5937 3675 1116 1136 10 0 0

• Molecule 2 is a protein called Chromatin modification-related protein EAF1.


2 C 140 Total C N O S800 489 156 154 1 0 0

• Molecule 3 is a protein called Eaf1-disorder domain.


3 D 360 Total C N O1800 1080 360 360 0 0



4 H 154 Total C N O764 456 154 154 0 0

• Molecule 5 is a protein called Transcription-associated protein 1.


5 A 2007 Total C N O10017 5997 2008 2012 0 0

• Molecule 6 is a protein called Actin-related protein 4.


6 F 421 Total C N O S3334 2121 553 648 12 1 0

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#entry_composition


There is a discrepancy between the modelled and reference sequences:

Chain Residue Modelled Actual Comment ReferenceF 0 PRO - expression tag UNP P80428

• Molecule 7 is a protein called Actin.


7 G 351 Total C N O S2729 1735 458 519 17 0 0



8 E 41 Total C N O S342 222 56 61 3 0 0


3 Residue-property plots i○

These plots are drawn for all protein, RNA, DNA and oligosaccharide chains in the entry. Thefirst graphic for a chain summarises the proportions of the various outlier classes displayed in thesecond graphic. The second graphic shows the sequence view annotated by issues in geometry andatom inclusion in map density. Residues are color-coded according to the number of geometricquality criteria for which they contain at least one outlier: green = 0, yellow = 1, orange = 2and red = 3 or more. A red diamond above a residue indicates a poor fit to the EM map forthis residue (all-atom inclusion < 40%). Stretches of 2 or more consecutive residues without anyoutlier are shown as a green connector. Residues present in the sample, but not in the model, areshown in grey.

• Molecule 1: Transcription-associated protein 1

Chain B:

TYR

ASN

ALA

W263

3�

Y263

4Q2

635

S263

6�

I263

7N2

638

I263

9L2

640

E264

1S2

642

I264

3�

T264

7S2

648�

I264

9D2

650

N265

1T2

652

K265

3I2

654

I265

5E2

656

E265

9

L266

2L2

663

E266

4L2

665

Q267

0E2

671

M267

4F2

675

L267

8

R268

1

I269

0G2

691

E269

5Q2

696

I269

7GL

YLE

UW2

700

R271

5SE

RGL

YAL

ALE

UPR

OTY

R

SER

Q272

3

A273

7

L274

0GL

NHI

STR

PD2

744

V274

5L2

746

T274

7E2

748

H275

2

E276

1

R276

5V2

766

ALA

ASP

TRP

ASN

SER

ASP

R277

3

E277

7Q2

778

S277

9V2

780

K278

1S2

782

V278

3

P278

7T2

788

P278

9R2

790

R279

1Q2

792

F279

7

R280

7LY

SG2

809

C281

7D2

818

E281

9G2

820

I282

1Q2

822

L282

3S2

824

L282

5I2

826

K282

7W2

828

VAL

SER

LEU

PRO

ILE

R283

4Y2

835

T283

6P2

837

A283

8H2

839

K284

0W2

841

L284

2L2

843

H284

4G2

845

F284

6Q2

847

Q284

8Y2

849

M285

0E2

851

F285

2L2

853

E285

4A2

855

T285

6

T286

6�

VAL

GLN

ASN

LEU

ASP

SER

LYS

A287

4Q2

875

E287

6

Q288

2

R288

5D2

886

R288

7L2

888

P288

9AS

NTH

RTR

PAS

PD2

894

V289

5N2

896

M289

7W2

898

N289

9

D290

0L2

901

V290

2

Q290

6

I291

2N2

913

N291

4A2

915

P292

1A2

922

L292

3GL

NGL

NSE

RAS

NSE

RAS

NSE

RAS

NIL

EAS

NTH

RHI

SAL

ATY

RR2

938

H294

1E2

942

I294

3A2

944

W294

5V2

946

I294

7

H295

2

H295

7N2

958

D296

1V2

962

C296

3I2

964

S296

5Q2

966

L296

7A2

968

R296

9I2

970

Y297

1T2

972

LEU

PRO

ASN

ILE

GLU

ILE

GLN

E298

0�

C299

1

N299

7E2

998

L299

9T3

000�

T300

1

S300

7N3

008

THR

ASN

LEU

VAL

TYR

PHE

G301

5

K301

9A3

020

F302

3

L303

3AR

GAL

ATY

RGL

UE3

038

A303

9N3

040

Q304

1A3

042

F304

3A3

044

T304

5A3

046

V304

7

D305

0

L305

3A3

054

K305

5A3

056

W305

7A3

058

Q305

9W3

060

G306

1F3

062

F306

3N3

064

D306

5R3

066

R306

7

L306

8�

S306

9E3

070

E307

1P3

072

ASN

ASN

ILE

S307

6F3

077

A307

8

A308

1I3

082

Y308

5L3

086

A308

9

N309

4S3

095

K309

6I3

097

R309

8E3

099

L310

0L3

101

C310

2R3

103

I310

4L3

105

W310

6L3

107

I310

8S3

109

I311

0D3

111

G311

5M3

116

L311

7T3

118

N311

9

P312

9

I313

4�

T313

5F3

136

Q313

9L3

140

L314

1T3

142

S314

3L3

144

S314

5

A314

9

N315

0

I315

9A3

160

K316

1S3

162

Y316

3P3

164

Q316

5A3

166

L316

7H3

168

F316

9Q3

170

L317

1R3

172

T317

3T3

174

I318

1GL

NAR

GGL

NTH

RME

TAL

AVA

LME

TGL

YAS

PLY

SPR

OAS

PTH

RAS

NAS

PAR

GAS

NGL

YAR

GAR

GQ3

203

P320

4

T321

7A3

218

Y321

9P3

220

L322

1L3

222

A322

3

L322

9

R323

6

T324

1D3

242

E324

3D3

244

L324

5F3

246

R324

7L3

248

I324

9N3

250

V325

1L3

252

L325

3

P326

4PH

EPR

OAR

GLY

SAS

NPR

OLY

SLE

UP3

273

Y329

1I3

292

R329

3�

F329

6

F330

0IL

EAS

PAS

NLY

SPR

OAS

PY3

307

L331

4R3

315

Y331

6W3

317

R331

8

E332

2

R332

7AL

ASE

RLY

SLY

SGL

UAS

NLE

UGL

UVA

LLE

UC3

338

F334

4

F334

9�

E335

0�

D335

1�

I335

4P3

355

G335

6Q3

357

Y335

8L3

359

L336

0

D336

3�

V336

6H3

367

F336

8I3

369

K337

0I3

371

A337

2R3

373

F337

4L3

375

P337

6T3

377

V338

1

S338

7Y3

388

R338

9R3

390

L339

1M3

392

I339

3R3

394

G339

5

G339

8S3

399

V340

0H3

401

S340

2F3

403

A340

4V3

405

Q340

6Y3

407

P340

8A3

409

V341

0R3

411

R341

5E3

416

E341

7R3

418

Q342

1L3

422

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#residue_plots


Y342

3R3

424

L342

5F3

426

N342

7K3

428

K343

2N3

433

V343

4E3

435

T343

6R3

437

R343

8R3

439

S344

0I3

441

Q344

2F3

443

N344

4L3

445

P344

6I3

447

A344

8I3

449

P345

0L3

451

S345

2P3

453

Q345

4V3

455�

R345

6I3

457

M345

8

S346

1V3

462

S346

3F3

464

T346

5T3

466

L346

7H3

468

N347

2E3

473

F347

4

G347

9F3

480

D348

1P3

482

D348

3D3

484

I348

5Q3

486

D348

7F3

488

M348

9A3

490

D349

1K3

492

L349

3N3

494

A349

5A3

496

H349

7D3

498

D349

9AL

ALE

UPR

OA3

503

P350

4D3

505

M350

6T3

507

I350

8L3

509

K351

0V3

511

E351

2I3

513

F351

4N3

515

S351

6I3

517

Q351

8T3

519

M352

0F3

521

V352

2PR

OSE

RN3

525

V352

6L3

527

K352

8D3

529

H353

0F3

531

F353

5TH

RGL

NF3

538

E353

9D3

540

F354

1W3

542

L354

3F3

544

R354

5K3

546

Q354

7

S355

0Q3

551

Y355

2S3

553

S355

4F3

555

V355

6F3

557

M355

8S3

559

Y356

0

T356

8P3

569

H357

0K3

571

I357

2H3

573

V357

4D3

575

K357

6T3

577�

S357

8G3

579

N358

0V3

581

F358

2T3

583

M358

6L3

587

R359

0F3

591�

P359

2�

R359

5

P359

8L3

599

N360

2

L360

5SE

RLE

UPR

OPR

OD3

610�

S361

1P3

612

N361

7E3

618

P361

9V3

620

T362

5P3

626

N362

7

I363

2G3

633

N364

4L3

645

F364

6T3

647

I364

8S3

649

R365

0A3

651

L365

2I3

653

E365

4P3

655

D365

6N3

657

E365

8L3

659

N366

0T3

661

Y366

2L3

663

A366

4L3

665�

F366

6I3

667

R366

8D3

669

E367

0I3

671

I367

2S3

673

W367

4

L367

8H3

679

R368

0PR

OIL

EIL

EGL

UAS

NPR

OQ3

687

V369

2

V369

6D3

697

L369

8I3

699

I370

0R3

701

K370

2V3

703

A370

4Q3

705

L370

6G3

707

H370

8�

L370

9

T371

2P3

713

T371

4V3

715

T371

6T3

717

Q371

8F3

719

I372

0L3

721

D372

2C3

723

I372

4

A372

7

R373

1N3

732

L373

3

D373

7V3

738

N373

9F3

740

M374

1P3

742

W374

3F3

744

• Molecule 2: Chromatin modification-related protein EAF1

Chain C:

PRO

T648

I649

S652

E653

N663

�

E670

S673

A674

H675

M676

T677

H678

R679

L680

T681

Y684

L685

S686

N687

I688

E689

R690

R691

T692

P693

W694

Q695

C696

F697

E698

R699

F700

V701

Q702

L703

N704

E705

R706

F707

D711

L712

�K7

13G7

14P7

15R7

16A7

17H7

18S7

19A7

20Q7

21Q7

22W7

23L7

24

I725

E726

Q732

R733

Q734

S739

P740

�

Q749

�

R754

A758

A763

C767

E772

ASN

THR

PRO

ARG

PRO

ASN

PRO

THR

GLN

PRO

ARG

LYS

PRO

LEU

ASP

CYS

LYS

ASN

MET

LYS

VAL

PRO

T795

P796

A797

L801

Q805

A809

LEU

ARG

ARG

ASP

ILE

GLN

LEU

ARG

ARG

THR

VAL

LYS

ASN

ARG

LEU

GLN

GLN

ARG

GLN

GLN

GLN

SER

GLN

GLN

ALA

HIS

SER

SER

ARG

ALA

GLN

SER

PRO

ILE

PRO

SER

ASN

GLY

LYS

SER

SER

SER

ASN

LEU

ALA

ARG

ASN

GLY

GLN

ALA

SER

ALA

PRO

ARG

PRO

ASN

GLN

LYS

GLN

TYR

THR

GLU

GLN

ASP

ILE

ILE

GLU

SER

TYR

SER

ARG

LYS

LEU

LEU

GLU

GLN

LYS

PRO

ASP

ILE

GLY

PRO

GLU

MET

ALA

LEU

LYS

ALA

ALA

LYS

ASN

TYR

TYR

ARG

THR

LEU

ARG

GLU

GLN

GLN

GLN

GLN

LEU

LYS

GLN

HIS

GLN

ILE

GLN

GLN

GLN

ARG

GLN

GLN

LEU

GLN

GLU

GLU

SER

SER

HIS

VAL

GLN

GLN

LEU

GLN

GLN

LEU

GLN

PRO

GLY

SER

GLN

ALA

PRO

PRO

PRO

LYS

SER

SER

PRO

SER

GLN

SER

SER

LEU

SER

ASN

ILE

SER

ASN

ILE

ASN

SER

ALA

PRO

ARG

ILE

LYS

SER

PRO

THR

PRO

GLN

GLU

ILE

LEU

GLN

ARG

PHE

GLN

LYS

GLN

• Molecule 3: Eaf1-disorder domain

Chain D:

X1 X2 X3 X4 X7 X8 X11

X12

X13

�

X16

X30

�

X38

X39

X55

X59

X60

X61

X62

X63

X64

X65

X66

X74

X75

X79

X80

X81

X82

�X8

3�

X87

�X8

8�

X102

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

X139

X140

X145

�X1

46�

X150

X151

X152

X153

X154

X155

X156

X159

X160

X161

X162

X165

X166

X167

�X1

68X1

69X1

70X1

71X1

72X1

73X1

74X1

75X1

76�

X180

X181

�X1

82

X185

X186

�

X215

X216

X233

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

X266

X277

X278

X281

X282

X285

X286

X289

X290

X306

UNK

UNK

X309

X310

X313

X328

X331

UNK


UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

X362

X373

X381

�

X384

X385

X386

X396

X397

�

X403

�

X414

X415

X416

X417

X418

X419

X420

X421

X422

X423

X424

X425

X426

X427

X428

X429

X430

X438

�X4

39X4

40X4

41X4

42X4

43X4

44

X458

�X4

59X4

60�

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK

UNK


Chain H:

MET

ASP

K3 Q12

T16

S19

�AS

NLY

SAS

NGL

UE2

4L2

5

N28

G29

G30

G31

ILE

ASN

MET

ILE

GLY

ASN

ASN

LEU

ARG

ILE

SER

LEU

VAL

K45

Q51

L54

L55

I56

N57

E58

L59

T60

N61

L62

R63

�AR

GGL

NSE

RAS

NVA

LAL

AAS

NGL

YAS

NAR

GLY

SLE

UG7

6

N86

P89

T93

THR

LEU

ASN

ASP

GLY

GLN

LEU

SER

LEU

HIS

GLY

LEU

E106

M107

�H1

08D1

09

L113

L114

D115

E116

K117

Y118

D119

K122

I129

R130

M131

E135

ILE

LEU

LYS

ASN

GLY

ILE

K142

Q147

LEU

GLN

PRO

HIS

ALA

ASN

ALA

GLY

LYS

SER

GLY

SER

ALA

GLY

THR

SER

ALA

THR

ILE

THR

THR

THR

THR

PRO

HIS

MET

ALA

HIS

SER

MET

ASP

PRO

LYS

R181

�E1

82K1

83L1

84L1

85K1

86L1

87Y1

88R1

89D1

90T1

91V1

92L1

93N1

94K1

95L1

96

T200

GLY

ASN

PHE

GLN

LYS

LEU

PHE

LYS

SER

PRO

ASP

GLY

SER

ILE

ILE

LYS

ASN

GLU

ILE

ASN

TYR

E222

D223

E227

T228

P229

G230

S231

L235

I243

THR

ASP

GLY

VAL

MET

ARG

LYS

VAL

ILE

GLY

THR

ASP

D256

�

R261

F265

D269

THR

VAL

GLN

PHE

MET

ARG

ARG

ALA

LEU

GLU

• Molecule 5: Transcription-associated protein 1

Chain A:

MET

SER

LEU

T4 F14

ARG

ASP

ASP

ASP

ALA

THR

L21

Y25

L31

M35

E36

LEU

LEU

ASN

SER

P41

L56

ASN

GLN

LEU

LYS

GLU

VAL

PRO

ILE

SER

TYR

ASP

ALA

HIS

S70

�

K74

�

R85

CYS

LEU

MET

ASN

GLN

T91

S105

�V1

06�

LEU

PRO

LYS

GLU

N111

M119

L122

T123

K130

SER

ILE

LEU

GLN

ASP

K136

L137

D138

S139

F140

F159

TYR

GLU

ALA

GLY

LYS

ALA

GLU

GLN

GLY

ASP

LEU

ASP

SER

PRO

LYS

GLU

PRO

GLN

ALA

ASP

GLU

LEU

LEU

ASP

GLU

PHE

SER

LYS

ASN

ASP

GLU

GLU

LYS

ASP

PHE

PRO

SER

LYS

GLN

SER

SER

THR

GLU

PRO

ARG

PHE

GLU

ASN

SER

THR

SER

SER

ASN

GLY

L214

S217

M218

F219

S220

C227

PRO

ILE

T230

M231

Y235

�

K239

Q240

L241

T242

S243

T244

S245

L246

L256

LEU

ASN

ILE

GLN

ILE

LYS

GLN

GLN

GLN

GLU

ALA

ARG

GLU

GLN

ALA

GLU

SER

ARG

GLY

GLU

HIS

PHE

THR

SER

ILE

SER

THR

GLU

ILE

ILE

N287

�R2

88P2

89�

T302

S303

F304

L305

�

A314

P315

GLU

PHE

LEU

GLN

D320

L328

I329

I330

R331

L332

L333

Q334

D335

C336

PRO

SER

GLU

L340

S341

K345

E346

L347

L348

H349

A350

T351

R352

H353

T357

L362

PHE

LEU

PRO

LYS

L367

D368

Y369

D372

E373

L376

G380

PHE

THR

MET

H384

P389

L390

A391

Y392

E405

LEU

GLN

LEU

SER

E410

I411

E412

D424

E425

S426

T430

V431

Q432

I433

K451

�GL

UAS

NPR

OGL

NGL

UAL

AP4

58

K461

M465

R474

L478

D483

M486

K487

G490

R491

L503

�

LYS

ASN

SER

ILE

GLN

D509

N510

D511

K512

E513

�S5

14E5

15E5

16F5

17M5

18R5

19

L522

�GL

UPR

OSE

RAS

PAS

PAS

PHI

SLE

UME

TPR

OGL

NPR

OLY

SLY

SGL

UAS

PIL

EAS

NAS

PSE

RPR

OAS

PVA

LGL

UME

TTH

RGL

USE

RAS

PLY

SVA

LVA

LLY

SAS

NAS

PVA

LE5

59

Y566

A567

P568


L572

P573

T574

P575

D578

P579

I580

K581

D582

A583

Y587

R588

M591

S592

F593

L594

K595

T596

I597

L601

F604

N605

PRO

PRO

PRO

ASN

GLU

TYR

THR

VAL

ALA

ASN

PRO

LYS

LEU

TRP

ALA

SER

VAL

SER

ARG

VAL

PHE

SER

TYR

E629

E630

V631

F634

K635

D636

L637

F638

F648

LYS

ASP

HIS

ASN

GLU

LYS

LEU

SER

PRO

GLU

THR

THR

LYS

LYS

HIS

PHE

ASP

ILE

SER

MET

PRO

SER

LEU

PRO

VAL

S674

E681

L682

Y685

L686

F690

M691

Q692

MET

ASP

ASN

A696

P707

F708

V709

M713

L714

GLU

ASP

SER

G718

T732

SER

PRO

ASN

F736

L741

L744

L751

GLY

ASN

VAL

ASP

PHE

N757

F776

P777

P786

H787

L791

S799

THR

THR

ALA

GLU

E804

P805

L806

F809

T814

S818

P833

I834

L838

L842

M845

ILE

LEU

THR

ALA

ARG

L851

P852

E856

E860

P866

V871

L872

A873

P874

Y875

L876

P877

F878

K881

P882

Q889

Y890

P891

D892

L893

V894

G897

T900

L901

Y912

F913

D914

P915

I916

I917

V924

A927

N930

LEU

LEU

GLN

PRO

GLN

PRO

PHE

N938

I948

L952

�G9

53

R957

Q958

F959

L960

K961

P962

P963

T964

D965

L966

T967

E968

K969

T970

E971

L972

D973

A976

�I9

77A9

78D9

79F9

80K9

81I9

82N9

83

P986

E987

D988

V989

P990

L991

S992

V993

T994

P995

G996

I997

Q998

I100

3

S100

6

S100

9D1

010

I101

1H1

012

Y101

3R1

014

K101

5S1

016�

A101

7

L102

7

K103

0S1

031

S103

2A1

033

E103

4F1

035

P103

6T1

037

N103

8Y1

039

T104

0E1

041

L104

2L1

043

K104

4T1

045

A104

6

K105

1

V106

7N1

068

K106

9R1

070

D107

1Y1

072

V108

6

T109

0S1

091

I109

2K1

093

E109

4L1

095

K109

6D1

097

D109

8A1

099

M110

0D1

101�

L110

2L1

103

N110

4N1

105

L110

6L1

107

C111

1

T111

7

N112

1

N112

6GL

YTH

RPH

EAS

NIL

EAS

PLE

ULY

SAS

NPR

OAS

NPH

EME

TLE

UAS

PS1

142�

S114

3L1

144�

A114

8�

A115

2

L115

3S1

154

I115

7P1

158

E115

9

K117

4SE

RCY

SLE

UIL

ETY

RGL

YGL

UE1

182

L120

0C1

201

Y120

2D1

203�

E120

4

Y120

7N1

208

K120

9R1

210

N122

2V1

223

K122

4S1

225

S122

6S1

227�

V122

8�

F122

9L1

230

K123

1

D124

7T1

248

Q124

9�

S125

0E1

251

A125

5I1

256

T125

7D1

258

K126

2

I126

5

T127

1PH

EAL

AAS

PVA

LLY

S

GLU

GLU

ASP

L128

0�

E128

6

T129

0D1

291

I129

2V1

293

C129

4E1

295

L129

6

N130

0P1

301

K130

2

S131

5AS

NLE

UT1

318

P132

1

S133

5P1

336

ILE

PHE

ALA

LYS

PRO

LEU

ARG

ALA

L134

5P1

346

M134

9

A135

6

L136

1S1

362

L136

3P1

364

E137

2E1

373

L137

4F1

375

R137

6L1

377

A138

5AS

PAL

AGL

UAS

P

GLU

SER

LEU

SER

THR

ASN

ILE

GLN

LYS

THR

T140

0

K141

7

A142

0I1

421

A142

2L1

423

LYS

ASN

GLU

GLU

PHE

ALA

THR

A143

1

L144

1

F144

5K1

446

T144

7ME

TLE

ULY

STH

RS1

452

P145

3

I145

6

L146

3�

N147

0SE

RLY

SLE

UP1

474

N148

8LE

USE

RAS

PHI

SGL

NLY

SLE

UT1

496

D150

1�

L150

6L1

507�

E150

8

Y151

3PH

ELY

SVA

LGL

UIL

EG1

519

A152

8�

W152

9C1

530

ARG

VAL

GLU

V153

4L1

535

D153

6�

L154

3AL

AGL

UQ1

546

M154

7P1

548

H156

0

P156

3PR

OGL

NAL

AD1

567

L158

0E1

581

R158

2K1

583

L158

4R1

585

L158

6Q1

587

L158

8D1

589

S159

0P1

591

L159

6A1

597

R159

8

N160

5P1

606

V160

7T1

608

M161

5

Q162

9R1

630

N164

6F1

647

Y164

8D1

649

F165

0Y1

651

I165

2S1

653

N165

4IL

EPR

OLY

SAS

NGL

NVA

LAR

GV1

662

F167

3N1

674

T167

5M1

676

N168

0GL

YAS

PGL

UTR

PLE

ULY

SLY

SLY

SGL

YAS

NM1

691

K170

7GL

UAS

NSE

RPH

ETY

RIL

EAS

PHI

SL1

716

L173

5SE

RGL

UAR

GAS

PQ1

740

N174

1P1

742

L174

5

D174

9F1

750

S175

1PH

ESE

RAS

NGL

YIL

ELY

SAL

AS1

759

K176

3

F176

7H1

768

N176

9IL

EIL

EAL

ASE

RSE

RAS

NK1

776

L178

8�

PHE

VAL

LEU

SER

ASP

LYS

CYS

LEU

ASP

A179

8

A181

6TH

RSE

RGL

YSE

RLE

ULY

SSE

RTY

RLE

UVA

LGL

UAS

PK1

829�

I184

1�

N184

4SE

RAS

N

ALA

ILE

LEU

ALA

TYR

ASP

VAL

LEU

ASP

HIS

H185

7D1

858

L185

9F1

860

R186

1F1

862

L186

7S1

868

F187

1I1

872

LYS

ALA

ASP

PRO

GLU

ILE

I187

9

I189

4K1

895

L189

6E1

897

D189

8

F191

2IL

ESE

RLY

SPH

ED1

917

F191

8P1

919

R193

2SE

RSE

RHI

SVA

LE1

937

A193

8

V194

2

V194

8

P195

1V1

952

L195

3

HIS

GLU

ARG

MET

ASN

ALA

A196

0G1

961

T196

2P1

963

D196

4T1

965

W196

6I1

967

N196

8

V197

3ME

TVA

LGL

UAS

NSE

RS1

979

Y198

6Q1

987

F198

8L1

989

I199

0S1

991

H199

2P1

993

D199

4LE

UPH

EPH

EN1

998

S200

5

H200

9

N201

2

F201

6M2

017

SER

ASN

SER

ASN

SER

D202

3

L203

6Y2

037

W203

8E2

039

L204

3GL

U


ILE

THR

ASN

VAL

ASN

ASN

THR

LYS

THR

ASP

SER

ASP

GLY

ASP

VAL

VAL

MET

SER

ASP

SER

LYS

SER

ASP

ILE

ASN

PRO

VAL

GLU

ALA

ASP

THR

THR

ALA

ILE

ILE

VAL

ASP

ALA

ASN

ASN

ASN

SER

PRO

ILE

SER

L209

0H2

091

L209

2

A209

5

S210

7AS

NHI

SAR

GAL

AIL

EGL

UTH

RE2

115

D213

0LY

SHI

STR

PTH

RAS

NVA

LAS

NVA

LLY

SL2

140

L214

7IL

EPH

EGL

NAS

PLE

UAS

PSE

RE2

155

L216

8Y2

169

F217

2K2

173

N217

4�

W217

9I2

180

M218

1E2

182

N218

3L2

184

P218

5

I219

5LY

SSE

RAS

PHI

SHI

SAS

PV2

202

A221

9GL

NGL

YVA

LSE

RVA

LI2

225

I222

6

E222

9

I224

3T2

244

GLN

ASP

LEU

GLN

GLU

THR

S225

1S2

252

V225

3

G225

6V2

257

A226

0W2

261

F226

7PR

OAS

PN2

270

H228

9LE

USE

RIL

ESE

RGL

NPR

OLY

SAS

PAL

AME

TAL

AL2

301

L231

8SE

RLE

ULY

SVA

LSE

RLE

UL2

325

P233

1

S233

4

L233

8

I235

2

S235

6

I236

0PH

EAS

NTH

RGL

UIL

E

PHE

P236

7T2

368

V236

9K2

370

A238

1

I238

4

S238

9L2

390

S239

1K2

392

L240

1F2

402

D240

3GL

NGL

UHI

SPH

EN2

408�

N240

9T2

410

V241

4R2

415

P241

9F2

420

L242

1VA

LGL

YTH

RAR

GVA

LGL

UAS

PIL

EG2

430

S244

2LE

UGL

UAR

GAS

PIL

ELY

SGL

UR2

450

W246

0�

E246

1F2

462�

ILE

ALA

ASP

TYR

P246

7

F248

0N2

481

R248

2GL

ULY

SGL

ULE

USE

RLE

ULY

SN2

490

I249

1

P249

6P2

497

P250

5E2

506

V251

1

V251

4

L251

7E2

518

L251

9

K252

4G2

525

H252

6I2

527

A252

8S2

529

M253

0

L253

3CY

SAR

GIL

EIL

ES2

538

S253

9D2

540

F254

1I2

542

D254

3S2

544

F254

9

I255

6H2

557

R255

8A2

559

W256

0�

F256

4

V256

7

Y256

8K2

569

S257

0I2

571

P257

2K2

573

N257

4�

L258

7SE

RLY

SPR

OTY

RHI

STH

RAR

GGL

NIL

ES2

597

N260

1

N260

4

L260

7

K261

2

K262

4Y2

625

L262

6AL

A

• Molecule 6: Actin-related protein 4

Chain F:

P0 M1 S2 L6 Q7 V8 Y9�

G10

G11

D12

�

A16

V17

V18

I19

D20

P21

G22

S23

Y24

T25

T26

N27

I28

G29

Y30

S31

G32

�

F35

P36

L40

P41

S42

V43

Y44

G45

K46

Y47

T48

A49

�D5

0�

E51

�G5

2N5

3

I56

�F5

7S5

8

S61

I62

P65

�R6

6K6

7D6

8Y6

9

E70

L71

K72

P73

I74

V80

I81

D82

W83

D84

T85

A86

Q87

E88

Q89

W90

Q91

W92

A93

L94

Q95

N96

E97

L98

Y99

L100

G105

I106

P107

L110

T111

E112

P113

V114

W115

N116

S117

T118

E119

N120

R121

K122

K123

S124

L125

E126

V127

L128

L129

M132

Q133

F134

E135

�A1

36C1

37

C145

F148

G151

R152

P153

L156

D163

T164

S168

P169

I170

V171

M174

T175

L176

S177

K178

S179

T180

R181

R182

N183

F184

I185

A186

G187

K188

F189

I190

N191

H192

L193

I194

E199

�

I204

P205

K210

Q211

R212

K213

�P2

14E2

15F2

16I2

17K2

18K2

19T2

20�

F221

�D2

22�

D226

L229

Y230

A233

N234

G237

F238

E241

C242

K243

E244

T245

L246

C247

H248

I249

K253

T254

L255

E256

E257

T258

E261

S264

T265

A266

K267

S272

P273

W274

N275

E276

E277

�I2

78

N282

R285

Y286

G287

F288

A289

E290

E291

L292

P295

�K2

96�

E297

D298

�D2

99I3

00P3

01

A302

N303

�W3

04P3

05R3

06S3

07N3

08S3

09G3

10V3

11VA

LLY

STH

RTR

PAR

GAS

NAS

PTY

RVA

LPR

OLE

ULY

SAR

GTH

RLY

SPR

OSE

RGL

YVA

LAS

NLY

SSE

RAS

PLY

SLY

SVA

LTH

RPR

OTH

RGL

UGL

ULY

SGL

UGL

NGL

UAL

AVA

LSE

RLY

SSE

RTH

RSE

RPR

OAL

AAL

AAS

NSE

RAL

AAS

PTH

R

PRO

ASN

GLU

THR

GLY

LYS

ARG

PRO

LEU

GLU

GLU

GLU

LYS

PRO

PRO

LYS

GLU

ASN

ASN

E381

�L3

82I3

83�

L388

V389

Y390

D397

L400

R401

L404

A405

H406

N407

G412

G413

T414

S415

S416

L420

L428

L432

P433

S434

L435

K436

F437

R438

I439

L440

T441

T442

G443

H444


T445

I446

E447

R448

Q449

Y450

Q451

S452

W453

L454

G455

I458

L459

T460

S461

L462

G463

T464

F465

H466

Q467

L468

W469

Y475

L483

L484

R487

�F4

88�

R489

�

• Molecule 7: Actin

Chain G:

MET

ASP

SER

GLU

V5 A6�

A7 L8 V9 I10

S14

G15

M16

C17

K18

A19

G20

F21

A22

G23

�D2

4�

D25

�A2

6P2

7R2

8A2

9V3

0

S33

I34

V35

G36

R37

PRO

ARG

HIS

GLN

GLY

ILE

MET

VAL

GLY

MET

GLY

GLN

LYS

ASP

S52

Y53

V54

G55

D56

�E5

7A5

8Q5

9S6

0�

G63

�I6

4�

L65

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4 Experimental information i○

Property Value SourceEM reconstruction method SINGLE PARTICLE DepositorImposed symmetry POINT, Not providedNumber of particles used 63197 DepositorResolution determination method FSC 0.143 CUT-OFF DepositorCTF correction method PHASE FLIPPING AND AMPLITUDE

CORRECTIONDepositor

Microscope FEI TITAN KRIOS DepositorVoltage (kV) 300 DepositorElectron dose (e−/Å2

) 30 DepositorMinimum defocus (nm) Not providedMaximum defocus (nm) Not providedMagnification Not providedImage detector GATAN K2 SUMMIT (4k x 4k) DepositorMaximum map value 0.132 DepositorMinimum map value -0.063 DepositorAverage map value 0.000 DepositorMap value standard deviation 0.005 DepositorRecommended contour level 0.0225 DepositorMap size (Å) 374.4, 374.4, 374.4 wwPDBMap dimensions 288, 288, 288 wwPDBMap angles (◦) 90.0, 90.0, 90.0 wwPDBPixel spacing (Å) 1.3, 1.3, 1.3 Depositor

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#experimental_info


5 Model quality i○

5.1 Standard geometry i○

The Z score for a bond length (or angle) is the number of standard deviations the observed valueis removed from the expected value. A bond length (or angle) with |Z| > 5 is considered anoutlier worth inspection. RMSZ is the root-mean-square of all Z scores of the bond lengths (orangles).

Mol Chain Bond lengths Bond anglesRMSZ #|Z| >5 RMSZ #|Z| >5

1 B 0.36 0/5992 0.58 2/8237 (0.0%)2 C 0.29 0/805 0.57 2/1110 (0.2%)4 H 0.31 0/755 0.48 2/1039 (0.2%)5 A 0.28 1/9944 (0.0%) 0.51 32/13772 (0.2%)6 F 0.39 0/3406 0.56 0/46187 G 0.40 0/2787 0.54 0/37768 E 0.43 0/351 0.60 0/473All All 0.34 1/24040 (0.0%) 0.54 38/33025 (0.1%)

All (1) bond length outliers are listed below:

Mol Chain Res Type Atoms Z Observed(Å) Ideal(Å)5 A 410 GLU C-N 9.50 1.55 1.34

All (38) bond angle outliers are listed below:

Mol Chain Res Type Atoms Z Observed(o) Ideal(o)5 A 777 PRO N-CA-CB 6.52 111.12 103.301 B 3129 PRO N-CA-CB 6.48 111.08 103.305 A 891 PRO N-CA-CB 6.46 111.05 103.305 A 1919 PRO N-CA-CB 6.36 110.93 103.304 H 89 PRO N-CA-CB 6.30 110.86 103.305 A 707 PRO N-CA-CB 6.24 110.78 103.305 A 2497 PRO N-CA-CB 6.21 110.75 103.305 A 786 PRO N-CA-CB 6.19 110.72 103.305 A 573 PRO N-CA-CB 6.16 110.69 103.305 A 1474 PRO N-CA-CB 6.13 110.66 103.305 A 575 PRO N-CA-CB 6.00 110.49 103.305 A 579 PRO N-CA-CB 5.94 110.43 103.305 A 2331 PRO N-CA-CB 5.87 110.34 103.302 C 796 PRO N-CA-CB 5.86 110.33 103.305 A 1336 PRO N-CA-CB 5.85 110.32 103.305 A 1963 PRO N-CA-CB 5.83 110.29 103.30

Continued on next page...

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#model_quality

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#standard_geometry


Continued from previous page...Mol Chain Res Type Atoms Z Observed(o) Ideal(o)5 A 882 PRO N-CA-CB 5.80 110.26 103.305 A 833 PRO N-CA-CB 5.77 110.23 103.305 A 2496 PRO N-CA-CB 5.77 110.22 103.302 C 740 PRO N-CA-CB 5.74 110.19 103.305 A 1993 PRO N-CA-CB 5.74 110.18 103.305 A 1951 PRO N-CA-CB 5.73 110.18 103.305 A 1548 PRO N-CA-CB 5.69 110.12 103.301 B 2921 PRO N-CA-CB 5.68 110.11 103.305 A 877 PRO N-CA-CB 5.67 110.10 103.305 A 2185 PRO N-CA-CB 5.63 110.05 103.305 A 458 PRO N-CA-CB 5.61 110.03 103.305 A 874 PRO N-CA-CB 5.61 110.03 103.305 A 1563 PRO N-CA-CB 5.60 110.02 103.305 A 1321 PRO N-CA-CB 5.55 109.96 103.305 A 1453 PRO N-CA-CB 5.52 109.92 103.305 A 852 PRO N-CA-CB 5.50 109.90 103.305 A 805 PRO N-CA-CB 5.49 109.88 103.305 A 1742 PRO N-CA-CB 5.49 109.88 103.304 H 229 PRO N-CA-CB 5.46 109.84 103.305 A 866 PRO N-CA-CB 5.27 109.63 103.305 A 568 PRO N-CA-CB 5.16 109.49 103.305 A 2505 PRO N-CA-CB 5.15 109.48 103.30

There are no chirality outliers.

There are no planarity outliers.

5.2 Too-close contacts i○

In the following table, the Non-H and H(model) columns list the number of non-hydrogen atomsand hydrogen atoms in the chain respectively. The H(added) column lists the number of hydrogenatoms added and optimized by MolProbity. The Clashes column lists the number of clashes withinthe asymmetric unit, whereas Symm-Clashes lists symmetry-related clashes.

Mol Chain Non-H H(model) H(added) Clashes Symm-Clashes1 B 5937 0 4061 713 02 C 800 0 481 63 03 D 1800 0 405 60 04 H 764 0 309 24 05 A 10017 0 4245 320 06 F 3334 0 3292 264 07 G 2729 0 2697 238 0


https://www.wwpdb.org/validation/2017/EMValidationReportHelp#close_contacts


Continued from previous page...Mol Chain Non-H H(model) H(added) Clashes Symm-Clashes8 E 342 0 331 40 0All All 25723 0 15821 1656 0

The all-atom clashscore is defined as the number of clashes found per 1000 atoms (includinghydrogen atoms). The all-atom clashscore for this structure is 40.

All (1656) close contacts within the same asymmetric unit are listed below, sorted by their clashmagnitude.

Atom-1 Atom-2 Interatomicdistance (Å)

Clashoverlap (Å)

1:B:3106:TRP:CZ3 1:B:3668:ARG:HD2 1.26 1.697:G:163:VAL:CG2 7:G:175:ILE:HG12 1.24 1.677:G:163:VAL:HG22 7:G:175:ILE:CG1 1.28 1.647:G:163:VAL:CG2 7:G:175:ILE:CG1 1.76 1.591:B:3139:GLN:CB 1:B:3418:ARG:HH21 1.07 1.587:G:163:VAL:CG2 7:G:175:ILE:CD1 1.81 1.571:B:3236:ARG:HG3 1:B:3338:CYS:CB 1.30 1.541:B:3474:PHE:CE2 1:B:3526:VAL:HG21 1.38 1.531:B:3427:ASN:CB 1:B:3443:PHE:HE1 1.17 1.531:B:3106:TRP:CH2 1:B:3668:ARG:HD2 1.39 1.521:B:3171:LEU:HD23 1:B:3172:ARG:N 1.22 1.521:B:3474:PHE:CE2 1:B:3526:VAL:CG2 1.90 1.515:A:2243:ILE:HA 5:A:2252:SER:CB 1.39 1.511:B:3427:ASN:HB2 1:B:3443:PHE:CE1 1.47 1.491:B:3625:THR:CB 1:B:3727:ALA:HB1 1.39 1.481:B:3403:PHE:CB 1:B:3457:ILE:HB 1.42 1.471:B:3043:PHE:CB 1:B:3060:TRP:NE1 1.77 1.471:B:3106:TRP:CH2 1:B:3668:ARG:CD 1.98 1.471:B:3106:TRP:HH2 1:B:3668:ARG:CG 1.24 1.461:B:3731:ARG:NH2 2:C:694:TRP:CD1 1.82 1.461:B:2828:TRP:CB 1:B:2842:LEU:HD21 1.45 1.451:B:2828:TRP:CB 1:B:2842:LEU:CD2 1.97 1.421:B:3427:ASN:CB 1:B:3443:PHE:CE1 2.01 1.411:B:3139:GLN:CB 1:B:3418:ARG:NH2 1.83 1.391:B:3043:PHE:CB 1:B:3060:TRP:HE1 1.33 1.381:B:2633:TRP:CB 5:A:2624:LYS:CB 1.99 1.381:B:3731:ARG:NH2 2:C:694:TRP:HD1 1.08 1.381:B:3253:LEU:CD2 1:B:3314:LEU:CB 2.00 1.371:B:3731:ARG:HD2 2:C:694:TRP:NE1 1.39 1.342:C:721:GLN:O 2:C:724:LEU:CB 1.75 1.34

1:B:3244:ASP:HA 1:B:3247:ARG:CD 1.57 1.331:B:3367:HIS:HE1 5:A:912:TYR:O 1.08 1.32



Continued from previous page...


Clashoverlap (Å)

1:B:3568:THR:HB 1:B:3569:PRO:CD 1.56 1.321:B:3705:GLN:CB 1:B:3709:LEU:HA 1.61 1.311:B:3106:TRP:CH2 1:B:3668:ARG:CG 2.09 1.301:B:3450:PRO:C 1:B:3451:LEU:HD12 1.49 1.301:B:3427:ASN:CA 1:B:3443:PHE:CE1 2.11 1.301:B:3667:ILE:CD1 1:B:3692:VAL:CB 2.12 1.286:F:442:THR:CG2 6:F:448:ARG:HE 1.45 1.271:B:3424:ARG:NH1 1:B:3447:ILE:HA 1.50 1.261:B:3719:PHE:HA 1:B:3722:ASP:OD2 1.34 1.255:A:333:LEU:CB 5:A:376:LEU:CB 2.14 1.253:D:418:UNK:CB 6:F:441:THR:H 1.50 1.235:A:1093:LYS:O 5:A:1095:LEU:N 1.71 1.225:A:430:THR:O 5:A:432:GLN:N 1.73 1.211:B:3427:ASN:CA 1:B:3443:PHE:HE1 1.45 1.211:B:3374:PHE:CB 1:B:3392:MET:CB 2.17 1.21

1:B:3100:LEU:HD13 1:B:3101:LEU:N 1.56 1.216:F:444:HIS:O 6:F:446:ILE:N 1.70 1.21

7:G:163:VAL:HG21 7:G:175:ILE:CD1 1.50 1.201:B:3474:PHE:CD2 1:B:3526:VAL:HG11 1.74 1.201:B:3163:TYR:CB 1:B:3167:LEU:CD2 2.21 1.195:A:1372:GLU:O 5:A:1375:PHE:N 1.76 1.185:A:1043:LEU:O 5:A:1046:ALA:HB3 1.43 1.181:B:3450:PRO:O 1:B:3451:LEU:CD1 1.91 1.176:F:213:LYS:HB3 6:F:214:PRO:CD 1.70 1.175:A:2243:ILE:CB 5:A:2252:SER:C 2.14 1.171:B:3568:THR:HB 1:B:3569:PRO:HD2 1.18 1.175:A:1363:LEU:O 5:A:1364:PRO:CB 1.85 1.16

1:B:3474:PHE:CE2 1:B:3526:VAL:HG22 1.76 1.166:F:62:ILE:O 6:F:71:LEU:HD21 1.45 1.16

1:B:3528:LYS:CB 1:B:3632:ILE:O 1.93 1.161:B:3427:ASN:HA 1:B:3443:PHE:CE1 1.78 1.151:B:3236:ARG:CG 1:B:3338:CYS:CB 2.24 1.155:A:1091:SER:CB 5:A:1099:ALA:HA 1.76 1.151:B:3360:LEU:CB 1:B:3424:ARG:HH21 1.57 1.141:B:3099:GLU:HB2 1:B:3425:LEU:HD11 1.16 1.141:B:3106:TRP:CH2 1:B:3668:ARG:CB 2.29 1.141:B:3496:ALA:HB1 2:C:684:TYR:CE1 1.83 1.141:B:3106:TRP:HH2 1:B:3668:ARG:CD 1.43 1.141:B:3367:HIS:CE1 5:A:912:TYR:O 1.99 1.145:A:1091:SER:CA 5:A:1099:ALA:HB2 1.77 1.131:B:3450:PRO:O 1:B:3451:LEU:HD12 0.95 1.13





Clashoverlap (Å)

1:B:3068:LEU:HD23 1:B:3081:ALA:CB 1.76 1.135:A:2243:ILE:CA 5:A:2252:SER:CB 2.26 1.121:B:3625:THR:CB 1:B:3727:ALA:CB 2.26 1.125:A:631:VAL:CB 5:A:1587:GLN:CB 2.26 1.125:A:137:LEU:O 5:A:139:SER:N 1.82 1.121:B:2690:ILE:HA 1:B:3715:VAL:CB 1.80 1.116:F:213:LYS:HB3 6:F:214:PRO:HD2 1.24 1.111:B:3360:LEU:CB 1:B:3424:ARG:NH2 2.13 1.111:B:2647:THR:CB 1:B:2651:ASN:OD1 1.99 1.101:B:2659:GLU:HG3 1:B:2681:ARG:CB 1.80 1.101:B:3740:PHE:C 1:B:3742:PRO:HD3 1.68 1.10

1:B:3171:LEU:CD2 1:B:3172:ARG:N 2.12 1.101:B:3244:ASP:HA 1:B:3247:ARG:HD3 1.17 1.101:B:3106:TRP:HB2 1:B:3665:LEU:HD13 1.16 1.105:A:239:LYS:O 5:A:241:LEU:N 1.83 1.09

1:B:3253:LEU:HD21 1:B:3314:LEU:CB 1.76 1.091:B:3053:LEU:CB 1:B:3056:ALA:HB2 1.82 1.091:B:3496:ALA:HB1 2:C:684:TYR:HE1 0.98 1.091:B:3106:TRP:CZ3 1:B:3668:ARG:CD 2.21 1.09

6:F:87:GLN:O 6:F:132:MET:HE3 1.49 1.081:B:3427:ASN:HA 1:B:3443:PHE:CZ 1.87 1.086:F:442:THR:HG21 6:F:448:ARG:HE 1.07 1.081:B:3116:MET:O 1:B:3119:ASN:N 1.86 1.081:B:3568:THR:CB 1:B:3569:PRO:CD 2.28 1.085:A:1292:ILE:O 5:A:1294:CYS:N 1.86 1.087:G:138:ALA:CB 7:G:165:ILE:HD11 1.83 1.087:G:163:VAL:HG22 7:G:175:ILE:CD1 1.58 1.071:B:3407:TYR:H 1:B:3408:PRO:CD 1.69 1.065:A:1091:SER:CB 5:A:1099:ALA:CB 2.33 1.061:B:3068:LEU:HB2 1:B:3078:ALA:CB 1.86 1.061:B:3106:TRP:HH2 1:B:3668:ARG:HG3 1.17 1.061:B:3163:TYR:CB 1:B:3167:LEU:HD23 1.82 1.062:C:673:SER:HA 2:C:681:THR:HG21 1.36 1.06

7:G:163:VAL:HG21 7:G:175:ILE:HD13 1.08 1.061:B:2828:TRP:CB 1:B:2842:LEU:HD23 1.78 1.051:B:3068:LEU:HD23 1:B:3081:ALA:HB3 1.33 1.051:B:2638:ASN:O 1:B:2642:SER:N 1.89 1.05

1:B:3474:PHE:CD2 1:B:3526:VAL:HG21 1.91 1.051:B:3068:LEU:HB2 1:B:3078:ALA:HB1 1.33 1.051:B:3705:GLN:CB 1:B:3709:LEU:CA 2.33 1.051:B:2670:GLN:CA 1:B:2837:PRO:HG3 1.85 1.05





Clashoverlap (Å)

1:B:3450:PRO:C 1:B:3451:LEU:CD1 2.24 1.051:B:3163:TYR:CB 1:B:3167:LEU:HD22 1.86 1.055:A:1859:LEU:O 5:A:1861:ARG:N 1.89 1.05

1:B:3068:LEU:CD2 1:B:3081:ALA:HB3 1.86 1.057:G:163:VAL:HG23 7:G:175:ILE:HG12 1.11 1.051:B:3377:THR:CB 1:B:3390:ARG:O 2.05 1.045:A:1091:SER:HA 5:A:1099:ALA:HB2 1.37 1.041:B:3407:TYR:H 1:B:3408:PRO:HD2 1.22 1.041:B:3043:PHE:CB 1:B:3060:TRP:CD1 2.40 1.035:A:1097:ASP:O 5:A:1099:ALA:N 1.91 1.031:B:3618:GLU:O 1:B:3620:VAL:N 1.90 1.035:A:1152:ALA:O 5:A:1154:SER:N 1.91 1.031:B:3244:ASP:HA 1:B:3247:ARG:HD2 1.37 1.035:A:2243:ILE:CB 5:A:2253:VAL:N 2.19 1.031:B:3403:PHE:CB 1:B:3457:ILE:CB 2.36 1.025:A:424:ASP:O 5:A:426:SER:N 1.91 1.021:B:3719:PHE:O 1:B:3722:ASP:HB2 1.58 1.021:B:3404:ALA:H 1:B:3457:ILE:HG22 1.22 1.025:A:1441:LEU:O 5:A:1445:PHE:N 1.93 1.011:B:3171:LEU:O 1:B:3174:THR:N 1.93 1.01

7:G:163:VAL:HG23 7:G:175:ILE:CG1 1.69 1.013:D:79:UNK:O 3:D:80:UNK:O 1.77 1.01

7:G:163:VAL:CG2 7:G:175:ILE:HD11 1.87 1.011:B:3427:ASN:HB2 1:B:3443:PHE:CD1 1.95 1.015:A:1091:SER:CB 5:A:1099:ALA:CA 2.39 1.001:B:2670:GLN:N 1:B:2837:PRO:HG3 1.76 1.001:B:2638:ASN:O 1:B:2642:SER:HB3 1.62 1.005:A:1043:LEU:O 5:A:1046:ALA:CB 2.10 0.991:B:3618:GLU:O 1:B:3619:PRO:C 1.96 0.992:C:715:PRO:O 2:C:717:ALA:N 1.96 0.99

1:B:3099:GLU:CB 1:B:3425:LEU:HD11 1.91 0.992:C:713:LYS:O 2:C:714:GLY:O 1.79 0.991:B:3703:VAL:O 1:B:3704:ALA:O 1.80 0.991:B:3427:ASN:CA 1:B:3443:PHE:CZ 2.45 0.996:F:87:GLN:O 6:F:132:MET:CE 2.11 0.98

1:B:3474:PHE:CD2 1:B:3526:VAL:CG1 2.46 0.981:B:3649:SER:OG 1:B:3705:GLN:HA 1.63 0.986:F:442:THR:HG21 6:F:448:ARG:NE 1.77 0.985:A:1292:ILE:C 5:A:1294:CYS:H 1.68 0.98

1:B:3244:ASP:CA 1:B:3247:ARG:HD3 1.93 0.971:B:3424:ARG:HH12 1:B:3447:ILE:HA 1.07 0.97





Clashoverlap (Å)

1:B:3741:MET:N 1:B:3742:PRO:CD 2.26 0.971:B:3106:TRP:HB2 1:B:3665:LEU:CD1 1.93 0.976:F:71:LEU:HD11 6:F:229:LEU:HD13 1.45 0.976:F:66:ARG:NH1 6:F:66:ARG:HB3 1.79 0.975:A:1372:GLU:O 5:A:1374:LEU:N 1.97 0.975:A:1157:ILE:O 5:A:1159:GLU:N 1.95 0.97

1:B:2659:GLU:CG 1:B:2681:ARG:CB 2.42 0.975:A:1227:SER:O 5:A:1231:LYS:CB 2.12 0.961:B:3411:ARG:O 1:B:3415:ARG:N 1.97 0.966:F:91:GLN:HB2 6:F:132:MET:CE 1.95 0.965:A:1300:ASN:O 5:A:1302:LYS:N 1.98 0.966:F:211:GLN:OE1 6:F:217:ILE:HD12 1.65 0.961:B:3085:TYR:C 1:B:3104:ILE:CD1 2.34 0.961:B:3391:LEU:O 1:B:3402:SER:CB 2.14 0.953:D:418:UNK:CB 6:F:441:THR:N 2.28 0.951:B:3424:ARG:NE 1:B:3445:LEU:CB 2.29 0.951:B:3649:SER:CB 1:B:3705:GLN:HA 1.96 0.951:B:3492:LYS:HE3 1:B:3492:LYS:HA 1.48 0.955:A:516:GLU:O 5:A:518:MET:N 2.00 0.941:B:3422:LEU:H 1:B:3422:LEU:HD22 1.27 0.946:F:442:THR:CG2 6:F:448:ARG:NE 2.30 0.941:B:2822:GLN:O 1:B:2825:LEU:N 1.99 0.94

1:B:3253:LEU:HD23 1:B:3314:LEU:CB 1.97 0.941:B:3106:TRP:CH2 1:B:3668:ARG:HB3 1.99 0.941:B:3668:ARG:HE 1:B:3672:ILE:HD13 1.32 0.941:B:3171:LEU:HD23 1:B:3172:ARG:CA 1.98 0.941:B:3247:ARG:HG3 1:B:3247:ARG:HH21 1.33 0.941:B:3171:LEU:CD2 1:B:3172:ARG:H 1.76 0.941:B:3649:SER:HB2 1:B:3704:ALA:O 1.68 0.931:B:3053:LEU:CB 1:B:3056:ALA:CB 2.45 0.938:E:391:ILE:HA 8:E:394:TYR:HB2 1.48 0.932:C:722:GLN:C 2:C:724:LEU:H 1.72 0.92

7:G:138:ALA:HB1 7:G:165:ILE:HD11 1.47 0.921:B:3740:PHE:CB 1:B:3742:PRO:HD3 1.98 0.926:F:129:LEU:HD22 6:F:129:LEU:H 1.32 0.921:B:2817:CYS:CB 1:B:2852:PHE:CZ 2.52 0.921:B:3474:PHE:CG 1:B:3526:VAL:HG11 2.04 0.921:B:3667:ILE:HD12 1:B:3692:VAL:CB 1.98 0.921:B:3644:ASN:HA 1:B:3647:THR:OG1 1.69 0.926:F:213:LYS:CB 6:F:214:PRO:CD 2.47 0.925:A:244:THR:O 5:A:245:SER:O 1.88 0.92





Clashoverlap (Å)

1:B:3244:ASP:O 1:B:3247:ARG:HG2 1.69 0.921:B:3424:ARG:HE 1:B:3445:LEU:CB 1.83 0.927:G:139:VAL:HG13 7:G:165:ILE:HG21 1.50 0.921:B:2690:ILE:CA 1:B:3715:VAL:CB 2.47 0.911:B:3244:ASP:CA 1:B:3247:ARG:CD 2.46 0.911:B:3667:ILE:HD13 1:B:3692:VAL:CB 1.99 0.917:G:286:ASP:HB3 7:G:288:ASP:OD1 1.71 0.911:B:3731:ARG:CD 2:C:694:TRP:HE1 1.82 0.914:H:51:GLN:O 4:H:55:LEU:N 2.04 0.91

7:G:163:VAL:HG22 7:G:175:ILE:HD11 1.49 0.915:A:1091:SER:CA 5:A:1099:ALA:CB 2.48 0.911:B:3055:LYS:O 1:B:3059:GLN:N 2.03 0.901:B:3740:PHE:C 1:B:3742:PRO:CD 2.39 0.90

1:B:2640:LEU:HD21 1:B:2662:LEU:CB 2.02 0.901:B:3085:TYR:C 1:B:3104:ILE:HD11 1.92 0.901:B:3219:TYR:N 1:B:3220:PRO:HD3 1.87 0.901:B:3731:ARG:CD 2:C:694:TRP:NE1 2.33 0.905:A:1506:LEU:O 5:A:1508:GLU:N 2.04 0.901:B:2638:ASN:O 1:B:2642:SER:CB 2.20 0.90

1:B:3253:LEU:HD22 1:B:3314:LEU:CB 2.00 0.901:B:3618:GLU:CB 1:B:3620:VAL:O 2.20 0.896:F:87:GLN:HG3 6:F:132:MET:HE2 1.54 0.891:B:3106:TRP:HZ3 1:B:3668:ARG:HD2 1.13 0.895:A:1069:LYS:O 5:A:1072:TYR:N 2.05 0.89

1:B:3568:THR:HG22 1:B:3569:PRO:HD3 1.55 0.895:A:511:ASP:O 5:A:515:GLU:CB 2.20 0.89

6:F:442:THR:OG1 6:F:443:GLY:N 2.06 0.891:B:3106:TRP:CH2 1:B:3668:ARG:NH2 2.39 0.881:B:3107:LEU:HA 1:B:3110:ILE:HD12 1.54 0.881:B:3731:ARG:CZ 2:C:694:TRP:HD1 1.85 0.881:B:3407:TYR:N 1:B:3408:PRO:CD 2.34 0.887:G:151:ILE:HG23 7:G:297:ILE:HA 1.54 0.881:B:3568:THR:CB 1:B:3569:PRO:HD3 2.03 0.887:G:151:ILE:HG21 7:G:297:ILE:HG12 1.55 0.885:A:239:LYS:C 5:A:241:LEU:H 1.78 0.87

1:B:2748:GLU:HB3 1:B:2752:HIS:CD2 2.07 0.876:F:428:LEU:HB3 6:F:437:PHE:HE2 1.37 0.871:B:2821:ILE:CB 1:B:2849:TYR:CE2 2.57 0.875:A:511:ASP:O 5:A:515:GLU:N 2.07 0.87

1:B:3474:PHE:CZ 1:B:3526:VAL:HG22 2.09 0.871:B:3354:ILE:HA 1:B:3371:ILE:H 1.39 0.87





Clashoverlap (Å)

1:B:3219:TYR:H 1:B:3220:PRO:HD3 1.38 0.871:B:3418:ARG:O 1:B:3422:LEU:CD2 2.23 0.871:B:3106:TRP:CZ2 1:B:3668:ARG:CB 2.58 0.861:B:3388:TYR:CB 1:B:3404:ALA:HB1 2.04 0.861:B:2961:ASP:C 1:B:2963:CYS:H 1.78 0.861:B:3418:ARG:CB 1:B:3418:ARG:HH11 1.88 0.861:B:3551:GLN:O 1:B:3554:SER:N 2.08 0.866:F:428:LEU:HB3 6:F:437:PHE:CE2 2.09 0.861:B:3474:PHE:HE2 1:B:3526:VAL:CG2 1.52 0.867:G:16:MET:N 7:G:16:MET:SD 2.49 0.865:A:1650:PHE:O 5:A:1652:ILE:N 2.09 0.861:B:3055:LYS:CB 1:B:3059:GLN:HG3 2.06 0.861:B:3652:LEU:O 1:B:3652:LEU:HD22 1.76 0.85

1:B:3169:PHE:CE1 1:B:3451:LEU:HD21 2.09 0.857:G:138:ALA:HA 7:G:152:VAL:HG11 1.56 0.851:B:3526:VAL:O 1:B:3530:HIS:N 2.08 0.856:F:87:GLN:CG 6:F:132:MET:CE 2.54 0.85

1:B:3424:ARG:CD 1:B:3445:LEU:CB 2.53 0.856:F:87:GLN:HG2 6:F:132:MET:HE1 1.56 0.856:F:62:ILE:O 6:F:71:LEU:CD2 2.24 0.85

1:B:2651:ASN:O 1:B:2653:LYS:N 2.09 0.856:F:45:GLY:HA3 6:F:56:ILE:HG22 1.56 0.855:A:1993:PRO:O 5:A:1998:ASN:N 2.10 0.857:G:16:MET:H 7:G:16:MET:CE 1.88 0.85

1:B:3062:PHE:HZ 1:B:3657:ASN:C 1.79 0.857:G:138:ALA:HB3 7:G:165:ILE:HD11 1.58 0.841:B:2821:ILE:HA 1:B:2849:TYR:OH 1.76 0.84

1:B:3731:ARG:HD2 2:C:694:TRP:CD1 2.12 0.841:B:3068:LEU:CB 1:B:3078:ALA:CB 2.55 0.841:B:3703:VAL:O 1:B:3704:ALA:C 2.14 0.841:B:3427:ASN:N 1:B:3443:PHE:CZ 2.45 0.846:F:91:GLN:OE1 6:F:132:MET:SD 2.34 0.841:B:3576:LYS:H 1:B:3576:LYS:HD3 1.43 0.841:B:3618:GLU:O 1:B:3620:VAL:O 1.96 0.845:A:302:THR:O 5:A:304:PHE:N 2.10 0.843:D:155:UNK:O 3:D:159:UNK:N 2.09 0.841:B:3481:ASP:CB 1:B:3482:PRO:CD 2.55 0.845:A:1859:LEU:O 5:A:1862:PHE:N 2.11 0.835:A:914:ASP:O 5:A:915:PRO:C 2.13 0.83

1:B:3568:THR:CG2 1:B:3569:PRO:HD3 2.07 0.831:B:3418:ARG:HB2 1:B:3418:ARG:HH11 1.43 0.83





Clashoverlap (Å)

1:B:3168:HIS:O 1:B:3172:ARG:HB3 1.78 0.836:F:213:LYS:C 6:F:213:LYS:HE3 1.99 0.83

1:B:3168:HIS:HA 1:B:3171:LEU:HD22 1.61 0.831:B:3411:ARG:HD2 1:B:3587:LEU:CB 2.08 0.836:F:91:GLN:HB2 6:F:132:MET:SD 2.19 0.831:B:3106:TRP:CB 1:B:3665:LEU:HD13 2.07 0.835:A:1097:ASP:O 5:A:1100:MET:N 2.10 0.83

1:B:3731:ARG:HD2 2:C:694:TRP:HE1 1.05 0.835:A:996:GLY:O 5:A:998:GLN:N 2.12 0.822:C:722:GLN:O 2:C:726:GLU:CB 2.27 0.82

7:G:140:LEU:CD1 7:G:343:GLY:N 2.42 0.821:B:2744:ASP:O 1:B:2747:THR:HG23 1.78 0.826:F:87:GLN:CG 6:F:132:MET:HE2 2.10 0.825:A:1006:SER:CB 5:A:1009:SER:CB 2.58 0.825:A:2567:VAL:C 5:A:2569:LYS:H 1.84 0.81

6:F:442:THR:HG21 6:F:448:ARG:CG 2.10 0.811:B:3404:ALA:N 1:B:3457:ILE:HG22 1.94 0.815:A:1506:LEU:C 5:A:1508:GLU:H 1.84 0.811:B:3173:THR:CB 1:B:3451:LEU:HA 2.10 0.811:B:3667:ILE:HD11 1:B:3692:VAL:CB 2.08 0.815:A:1629:GLN:O 5:A:1630:ARG:O 1.97 0.81

7:G:140:LEU:HD12 7:G:343:GLY:N 1.94 0.815:A:976:ALA:O 5:A:977:ILE:CB 2.28 0.811:B:3171:LEU:O 1:B:3174:THR:OG1 1.97 0.81

7:G:242:LEU:HD12 7:G:246:GLN:HB2 1.60 0.815:A:1361:LEU:O 5:A:1363:LEU:N 2.14 0.801:B:2633:TRP:CB 5:A:2624:LYS:C 2.50 0.801:B:3719:PHE:CA 1:B:3722:ASP:OD2 2.25 0.807:G:18:LYS:HG2 7:G:30:VAL:HG13 1.63 0.807:G:14:SER:HA 7:G:71:ILE:HB 1.62 0.805:A:976:ALA:HA 5:A:992:SER:CB 2.12 0.801:B:3106:TRP:CE3 1:B:3665:LEU:HD12 2.17 0.801:B:3253:LEU:HD12 1:B:3318:ARG:HG3 1.64 0.801:B:3493:LEU:O 1:B:3510:LYS:NZ 2.14 0.80

1:B:3466:THR:HG22 1:B:3573:HIS:HB2 1.63 0.807:G:298:VAL:HG22 7:G:330:ILE:HB 1.63 0.801:B:3169:PHE:HE1 1:B:3451:LEU:CD2 1.95 0.801:B:3656:ASP:O 1:B:3658:GLU:N 2.14 0.795:A:430:THR:O 5:A:431:VAL:C 2.21 0.79

1:B:3060:TRP:CE3 1:B:3064:ASN:ND2 2.49 0.791:B:3486:GLN:O 1:B:3486:GLN:NE2 2.16 0.79





Clashoverlap (Å)

5:A:1200:LEU:O 5:A:1203:ASP:CB 2.31 0.797:G:178:ILE:HD11 7:G:277:THR:HG21 1.65 0.791:B:3062:PHE:CZ 1:B:3657:ASN:C 2.57 0.791:B:3705:GLN:CB 1:B:3709:LEU:CB 2.61 0.786:F:87:GLN:C 6:F:132:MET:CE 2.51 0.785:A:217:SER:O 5:A:220:SER:N 2.14 0.78

1:B:3100:LEU:CD1 1:B:3101:LEU:N 2.44 0.785:A:1590:SER:O 5:A:1591:PRO:CB 2.31 0.78

1:B:2655:ILE:HG22 1:B:2656:GLU:N 1.97 0.781:B:3116:MET:O 1:B:3118:THR:N 2.16 0.78

1:B:3247:ARG:HG2 1:B:3248:LEU:H 1.49 0.785:A:1650:PHE:O 5:A:1653:SER:N 2.17 0.781:B:3555:PHE:O 1:B:3559:SER:N 2.13 0.787:G:286:ASP:CB 7:G:288:ASP:OD1 2.31 0.78

1:B:3068:LEU:CD2 1:B:3081:ALA:CB 2.53 0.781:B:3731:ARG:CZ 2:C:694:TRP:CD1 2.63 0.785:A:890:TYR:O 5:A:893:LEU:N 2.16 0.786:F:72:LYS:HB3 6:F:72:LYS:NZ 1.99 0.781:B:2853:LEU:O 1:B:2856:THR:OG1 2.02 0.781:B:3102:CYS:SG 1:B:3134:ILE:CB 2.72 0.778:E:390:ALA:O 8:E:394:TYR:N 2.16 0.77

5:A:1091:SER:CB 5:A:1099:ALA:HB1 2.15 0.771:B:2944:ALA:HA 1:B:2970:ILE:HD12 1.66 0.771:B:3068:LEU:HB3 1:B:3078:ALA:HA 1.66 0.771:B:3461:SER:CB 1:B:3464:PHE:CZ 2.67 0.777:G:140:LEU:HD12 7:G:343:GLY:H 1.49 0.775:A:2567:VAL:O 5:A:2569:LYS:N 2.18 0.773:D:140:UNK:O 6:F:178:LYS:NZ 2.15 0.776:F:71:LEU:HD12 6:F:229:LEU:HD22 1.66 0.775:A:1032:SER:O 5:A:1033:ALA:CB 2.33 0.771:B:2818:ASP:O 1:B:2821:ILE:CB 2.33 0.771:B:3496:ALA:CB 2:C:684:TYR:CE1 2.65 0.775:A:1097:ASP:O 5:A:1098:ASP:C 2.21 0.771:B:2967:LEU:O 1:B:2967:LEU:HD12 1.84 0.771:B:3047:VAL:O 1:B:3050:ASP:O 2.03 0.772:C:805:GLN:O 2:C:809:ALA:N 2.12 0.775:A:239:LYS:C 5:A:241:LEU:N 2.35 0.76

1:B:3106:TRP:CH2 1:B:3668:ARG:HG3 2.00 0.765:A:1091:SER:HA 5:A:1099:ALA:CB 2.14 0.765:A:736:PHE:N 5:A:1543:LEU:C 2.38 0.765:A:328:LEU:O 5:A:332:LEU:CB 2.33 0.76





Clashoverlap (Å)

6:F:91:GLN:HB2 6:F:132:MET:HE1 1.68 0.766:F:213:LYS:HB3 6:F:214:PRO:HD3 1.67 0.766:F:66:ARG:HH11 6:F:66:ARG:HB3 1.47 0.767:G:108:ALA:HB1 7:G:109:PRO:CD 2.15 0.765:A:1296:LEU:HA 5:A:1356:ALA:HB2 1.68 0.765:A:1605:ASN:O 5:A:1608:THR:N 2.19 0.751:B:3219:TYR:N 1:B:3220:PRO:CD 2.49 0.755:A:976:ALA:CA 5:A:992:SER:CB 2.65 0.753:D:439:UNK:O 3:D:443:UNK:N 2.19 0.757:G:150:GLY:O 7:G:293:LEU:CD2 2.33 0.757:G:19:ALA:HB3 7:G:29:ALA:HB3 1.67 0.757:G:9:VAL:O 7:G:340:TRP:NE1 2.17 0.75

6:F:87:GLN:HG3 6:F:132:MET:CE 2.16 0.757:G:102:PRO:HB3 7:G:131:ALA:HB3 1.68 0.757:G:237:GLU:HG2 7:G:251:GLY:HA2 1.68 0.756:F:213:LYS:HE3 6:F:213:LYS:CA 2.16 0.757:G:163:VAL:HG23 7:G:175:ILE:CG2 2.16 0.757:G:220:ALA:HB1 7:G:226:GLU:HG3 1.69 0.755:A:1300:ASN:C 5:A:1302:LYS:H 1.89 0.751:B:3457:ILE:O 1:B:3457:ILE:HD12 1.86 0.75

1:B:3247:ARG:NH2 1:B:3247:ARG:HG3 1.99 0.751:B:3435:GLU:OE1 1:B:3435:GLU:N 2.20 0.755:A:1255:ALA:O 5:A:1258:ASP:N 2.19 0.75

1:B:3100:LEU:HD13 1:B:3101:LEU:CA 2.16 0.751:B:3625:THR:N 1:B:3626:PRO:HD3 2.02 0.753:D:55:UNK:O 3:D:59:UNK:N 2.20 0.75

6:F:211:GLN:OE1 6:F:217:ILE:CD1 2.34 0.755:A:900:THR:CB 5:A:948:ILE:CD1 2.64 0.742:C:717:ALA:O 2:C:718:HIS:CB 2.35 0.741:B:2777:GLU:O 1:B:2781:LYS:N 2.16 0.74

1:B:3099:GLU:HB2 1:B:3425:LEU:CD1 2.08 0.741:B:3474:PHE:CD2 1:B:3526:VAL:CG2 2.58 0.741:B:3489:MET:CE 1:B:3511:VAL:HG23 2.16 0.741:B:2941:HIS:CD2 1:B:2941:HIS:H 2.04 0.741:B:3169:PHE:HE1 1:B:3451:LEU:CG 2.00 0.741:B:3404:ALA:H 1:B:3457:ILE:CG2 1.98 0.741:B:3740:PHE:CA 1:B:3742:PRO:HD3 2.17 0.745:A:1068:ASN:O 5:A:1070:ARG:N 2.21 0.74

1:B:3097:ILE:HD13 1:B:3097:ILE:N 2.03 0.743:D:419:UNK:CB 6:F:439:ILE:HD12 2.17 0.74

1:B:3171:LEU:HD23 1:B:3172:ARG:H 0.92 0.74Continued on next page...




Clashoverlap (Å)

1:B:3427:ASN:ND2 1:B:3428:LYS:N 2.36 0.741:B:3494:ASN:HA 1:B:3497:HIS:HB3 1.70 0.741:B:3062:PHE:HZ 1:B:3658:GLU:N 1.85 0.741:B:3244:ASP:CA 1:B:3247:ARG:HD2 2.15 0.731:B:3659:LEU:O 1:B:3662:TYR:CB 2.36 0.732:C:721:GLN:O 2:C:724:LEU:CA 2.36 0.735:A:2005:SER:O 5:A:2009:HIS:N 2.18 0.731:B:3057:TRP:O 1:B:3061:GLY:N 2.17 0.731:B:3462:VAL:O 1:B:3464:PHE:CD2 2.41 0.737:G:163:VAL:CG2 7:G:175:ILE:HD13 1.76 0.737:G:185:LEU:O 7:G:189:LEU:N 2.17 0.731:B:3492:LYS:CA 1:B:3492:LYS:HE3 2.18 0.736:F:129:LEU:N 6:F:129:LEU:HD22 2.03 0.735:A:1091:SER:C 5:A:1099:ALA:HB2 2.08 0.735:A:516:GLU:O 5:A:519:ARG:N 2.20 0.735:A:578:ASP:O 5:A:582:ASP:N 2.21 0.73

6:F:455:GLY:HA2 6:F:458:ILE:HD12 1.69 0.737:G:164:PRO:HG2 7:G:174:ALA:HB3 1.71 0.735:A:1650:PHE:O 5:A:1651:TYR:C 2.26 0.737:G:138:ALA:HB1 7:G:165:ILE:CD1 2.18 0.737:G:287:VAL:HG12 7:G:290:ARG:NH1 2.04 0.731:B:3741:MET:N 1:B:3742:PRO:HD2 2.03 0.737:G:236:ILE:O 7:G:254:ARG:NH1 2.21 0.735:A:239:LYS:O 5:A:242:THR:N 2.22 0.72

1:B:2882:GLN:HA 1:B:2885:ARG:HG3 1.70 0.721:B:3625:THR:H 1:B:3626:PRO:HD3 1.52 0.721:B:3649:SER:HB2 1:B:3705:GLN:HA 1.70 0.725:A:1069:LYS:CB 5:A:1072:TYR:CB 2.68 0.726:F:129:LEU:CD2 6:F:129:LEU:H 2.01 0.726:F:210:LYS:HB2 6:F:219:LYS:HA 1.72 0.726:F:415:SER:HA 6:F:420:LEU:HD23 1.71 0.725:A:972:LEU:O 5:A:973:ASP:O 2.07 0.721:B:3656:ASP:C 1:B:3658:GLU:H 1.92 0.725:A:1090:THR:C 5:A:1092:ILE:H 1.92 0.721:B:3062:PHE:HZ 1:B:3658:GLU:CA 2.03 0.722:C:722:GLN:C 2:C:724:LEU:N 2.38 0.725:A:856:GLU:O 5:A:860:GLU:N 2.21 0.726:F:8:VAL:HG22 8:E:368:TRP:HB3 1.70 0.724:H:57:ASN:O 4:H:61:ASN:N 2.16 0.725:A:1032:SER:O 5:A:1033:ALA:HB3 1.89 0.71

1:B:3247:ARG:HG2 1:B:3248:LEU:N 2.05 0.71Continued on next page...




Clashoverlap (Å)

1:B:3388:TYR:HA 1:B:3405:VAL:CB 2.20 0.711:B:3247:ARG:NH1 1:B:3407:TYR:CB 2.53 0.711:B:3424:ARG:HH12 1:B:3447:ILE:CA 1.96 0.71

6:F:92:TRP:O 6:F:96:ASN:ND2 2.23 0.715:A:410:GLU:C 5:A:412:GLU:H 1.94 0.715:A:1372:GLU:O 5:A:1373:GLU:C 2.29 0.715:A:897:GLY:O 5:A:901:LEU:N 2.18 0.71

1:B:3105:LEU:HD12 1:B:3105:LEU:O 1.91 0.711:B:3444:ASN:O 1:B:3446:PRO:HD3 1.91 0.711:B:3618:GLU:C 1:B:3620:VAL:N 2.44 0.713:D:426:UNK:O 3:D:430:UNK:N 2.22 0.713:D:440:UNK:O 3:D:444:UNK:N 2.23 0.71

1:B:3509:LEU:HD11 2:C:687:ASN:HD22 1.54 0.713:D:150:UNK:O 3:D:153:UNK:N 2.23 0.711:B:2899:ASN:N 1:B:2899:ASN:OD1 2.17 0.711:B:3169:PHE:CZ 1:B:3451:LEU:HD21 2.25 0.711:B:3424:ARG:HD3 1:B:3445:LEU:CB 2.21 0.711:B:3167:LEU:O 1:B:3167:LEU:HD12 1.90 0.713:D:151:UNK:O 3:D:155:UNK:N 2.24 0.71

1:B:2944:ALA:HA 1:B:2970:ILE:CD1 2.21 0.711:B:3644:ASN:CA 1:B:3647:THR:OG1 2.39 0.711:B:3106:TRP:CZ2 1:B:3668:ARG:HB2 2.24 0.711:B:3719:PHE:HA 1:B:3722:ASP:CG 2.09 0.716:F:444:HIS:O 6:F:445:THR:C 2.29 0.705:A:583:ALA:O 5:A:587:TYR:N 2.23 0.70

1:B:3375:LEU:CB 1:B:3376:PRO:CD 2.68 0.706:F:212:ARG:O 6:F:275:ASN:ND2 2.20 0.70

1:B:3169:PHE:HE1 1:B:3451:LEU:HG 1.56 0.701:B:3427:ASN:N 1:B:3443:PHE:CE1 2.58 0.70

6:F:442:THR:HG22 6:F:448:ARG:HE 1.49 0.707:G:151:ILE:CG2 7:G:297:ILE:HA 2.21 0.705:A:1093:LYS:C 5:A:1095:LEU:H 1.92 0.701:B:3086:LEU:N 1:B:3104:ILE:HD13 2.07 0.705:A:2415:ARG:O 5:A:2419:PRO:N 2.24 0.705:A:814:THR:O 5:A:818:SER:N 2.18 0.701:B:3418:ARG:O 1:B:3422:LEU:HD21 1.90 0.706:F:87:GLN:HG2 6:F:132:MET:CE 2.21 0.705:A:410:GLU:C 5:A:412:GLU:N 2.45 0.705:A:1090:THR:O 5:A:1092:ILE:N 2.25 0.705:A:1605:ASN:O 5:A:1607:VAL:N 2.24 0.705:A:2243:ILE:CB 5:A:2253:VAL:CA 2.69 0.70





Clashoverlap (Å)

1:B:3618:GLU:O 1:B:3620:VAL:C 2.28 0.707:G:132:PHE:N 7:G:357:ILE:O 2.25 0.705:A:2389:SER:O 5:A:2392:LYS:N 2.25 0.706:F:204:ILE:HB 6:F:274:TRP:CE3 2.26 0.705:A:1605:ASN:O 5:A:1606:PRO:C 2.27 0.701:B:3168:HIS:O 1:B:3172:ARG:N 2.25 0.702:C:754:ARG:O 2:C:758:ALA:N 2.24 0.701:B:3646:PHE:O 1:B:3649:SER:OG 2.08 0.70

1:B:3667:ILE:HD13 1:B:3692:VAL:CA 2.21 0.703:D:172:UNK:N 8:E:357:THR:OG1 2.25 0.696:F:87:GLN:CG 6:F:132:MET:HE1 2.22 0.697:G:124:PHE:CZ 7:G:132:PHE:HB3 2.27 0.69

1:B:3101:LEU:HD22 1:B:3101:LEU:O 1.92 0.691:B:3391:LEU:H 1:B:3402:SER:CB 2.03 0.695:A:1964:ASP:O 5:A:1968:ASN:N 2.21 0.695:A:1859:LEU:O 5:A:1860:PHE:C 2.29 0.691:B:3094:ASN:CB 1:B:3097:ILE:HG12 2.22 0.691:B:3253:LEU:CD1 1:B:3318:ARG:HG3 2.22 0.692:C:699:ARG:HD2 2:C:699:ARG:N 2.04 0.697:G:163:VAL:HG22 7:G:175:ILE:HG12 0.99 0.697:G:9:VAL:HG21 7:G:344:SER:HA 1.75 0.691:B:3173:THR:O 1:B:3452:SER:HB2 1.93 0.695:A:2181:MET:O 5:A:2185:PRO:N 2.26 0.691:B:2914:ASN:OD1 1:B:2915:ALA:N 2.25 0.695:A:900:THR:CB 5:A:948:ILE:HD13 2.23 0.691:B:3737:ASP:OD2 1:B:3739:ASN:ND2 2.26 0.696:F:428:LEU:CB 6:F:437:PHE:HE2 2.05 0.691:B:3422:LEU:H 1:B:3422:LEU:CD2 2.06 0.691:B:2638:ASN:C 1:B:2642:SER:HB3 2.13 0.691:B:2962:VAL:HA 1:B:2965:SER:HB3 1.74 0.697:G:297:ILE:HB 7:G:329:ILE:HG13 1.76 0.681:B:2670:GLN:N 1:B:2837:PRO:CG 2.56 0.687:G:212:ILE:HG23 7:G:216:LEU:HD12 1.74 0.681:B:2817:CYS:CB 1:B:2852:PHE:HZ 2.07 0.68

1:B:3068:LEU:HD23 1:B:3081:ALA:HB1 1.71 0.681:B:3670:GLU:O 1:B:3673:SER:OG 2.12 0.684:H:12:GLN:O 4:H:16:THR:N 2.27 0.685:A:369:TYR:O 5:A:373:GLU:N 2.26 0.686:F:1:MET:H 7:G:371:HIS:CG 2.12 0.685:A:1292:ILE:C 5:A:1294:CYS:N 2.36 0.687:G:121:GLN:O 7:G:362:TYR:OH 2.12 0.68





Clashoverlap (Å)

5:A:516:GLU:O 5:A:517:PHE:C 2.30 0.681:B:3489:MET:HE1 1:B:3511:VAL:HG23 1.75 0.681:B:3568:THR:CB 1:B:3569:PRO:HD2 2.07 0.681:B:3644:ASN:O 1:B:3647:THR:OG1 2.09 0.681:B:3055:LYS:C 1:B:3059:GLN:HB2 2.13 0.681:B:3625:THR:N 1:B:3626:PRO:CD 2.56 0.685:A:967:THR:O 5:A:968:GLU:O 2.11 0.675:A:976:ALA:C 5:A:992:SER:CB 2.62 0.671:B:3514:PHE:O 1:B:3518:GLN:N 2.22 0.677:G:151:ILE:CG2 7:G:297:ILE:HG12 2.24 0.675:A:2243:ILE:CB 5:A:2253:VAL:HA 2.24 0.671:B:3468:HIS:HB2 1:B:3570:HIS:HA 1.77 0.674:H:261:ARG:O 4:H:265:PHE:N 2.28 0.678:E:382:ALA:O 8:E:385:THR:OG1 2.11 0.677:G:24:ASP:HB2 7:G:340:TRP:HH2 1.60 0.675:A:1249:GLN:O 5:A:1251:GLU:N 2.24 0.672:C:713:LYS:O 2:C:714:GLY:C 2.32 0.675:A:2243:ILE:CB 5:A:2252:SER:CB 2.72 0.671:B:3481:ASP:CB 1:B:3482:PRO:HD2 2.24 0.671:B:3649:SER:CB 1:B:3704:ALA:O 2.43 0.67

1:B:3105:LEU:HD12 1:B:3105:LEU:C 2.15 0.672:C:684:TYR:HA 2:C:687:ASN:HB3 1.76 0.671:B:2670:GLN:HA 1:B:2837:PRO:HG3 1.72 0.671:B:3407:TYR:N 1:B:3408:PRO:HD2 2.04 0.676:F:11:GLY:N 6:F:461:SER:O 2.26 0.676:F:233:ALA:O 6:F:237:GLY:N 2.27 0.677:G:137:GLN:N 7:G:137:GLN:OE1 2.27 0.67

5:A:1345:LEU:HA 5:A:1349:MET:CB 2.25 0.677:G:347:ALA:O 7:G:353:GLN:NE2 2.27 0.67

7:G:163:VAL:HG21 7:G:175:ILE:HD11 1.58 0.671:B:3448:ALA:HA 1:B:3458:MET:HA 1.77 0.671:B:3667:ILE:HD13 1:B:3692:VAL:C 2.14 0.671:B:3060:TRP:CZ3 1:B:3064:ASN:ND2 2.62 0.665:A:486:MET:O 5:A:490:GLY:N 2.28 0.66

1:B:3169:PHE:CE1 1:B:3451:LEU:CD2 2.73 0.667:G:312:ARG:NE 7:G:316:GLU:OE2 2.18 0.663:D:156:UNK:O 3:D:160:UNK:N 2.28 0.667:G:242:LEU:N 7:G:246:GLN:O 2.26 0.661:B:3019:LYS:CG 1:B:3020:ALA:N 2.58 0.661:B:3461:SER:CB 1:B:3464:PHE:HZ 2.06 0.667:G:275:ASP:OD1 7:G:276:GLN:N 2.24 0.66





Clashoverlap (Å)

1:B:2633:TRP:CB 5:A:2624:LYS:CA 2.73 0.664:H:113:LEU:O 4:H:117:LYS:N 2.24 0.665:A:1093:LYS:C 5:A:1095:LEU:N 2.48 0.665:A:353:HIS:O 5:A:357:THR:N 2.25 0.666:F:47:TYR:O 6:F:53:ASN:OD1 2.13 0.66

6:F:174:MET:HA 6:F:489[B]:ARG:HB3 1.78 0.667:G:239:SER:HA 7:G:249:THR:HA 1.78 0.665:A:588:ARG:O 5:A:592:SER:N 2.17 0.661:B:3060:TRP:O 1:B:3063:PHE:N 2.28 0.661:B:3527:LEU:O 1:B:3531:PHE:N 2.25 0.661:B:3719:PHE:C 1:B:3722:ASP:HB2 2.15 0.667:G:99:GLU:HA 7:G:129:VAL:HA 1.78 0.661:B:3062:PHE:CZ 1:B:3657:ASN:O 2.49 0.66

1:B:3253:LEU:HD11 1:B:3318:ARG:HB2 1.78 0.662:C:695:GLN:O 2:C:699:ARG:HD3 1.96 0.653:D:64:UNK:O 6:F:434:SER:OG 2.06 0.65

3:D:396:UNK:HA 6:F:436:LYS:HE3 1.78 0.656:F:72:LYS:HD2 6:F:73:PRO:HD2 1.77 0.65

1:B:3101:LEU:HD13 1:B:3101:LEU:C 2.15 0.655:A:1296:LEU:HA 5:A:1356:ALA:CB 2.26 0.651:B:3086:LEU:N 1:B:3104:ILE:CD1 2.58 0.651:B:3423:TYR:CB 1:B:3558:MET:CE 2.74 0.656:F:169:PRO:HB2 6:F:176:LEU:HB2 1.79 0.657:G:163:VAL:HG23 7:G:175:ILE:HG23 1.78 0.655:A:1646:ASN:O 5:A:1649:ASP:N 2.30 0.655:A:1763:LYS:O 5:A:1767:PHE:N 2.30 0.65

1:B:3494:ASN:HD22 1:B:3497:HIS:HB3 1.61 0.651:B:3101:LEU:HD13 1:B:3101:LEU:O 1.96 0.655:A:1036:PRO:O 5:A:1038:ASN:N 2.29 0.655:A:1201:CYS:HA 5:A:1209:LYS:HA 1.79 0.655:A:1452:SER:O 5:A:1456:ILE:N 2.30 0.655:A:424:ASP:C 5:A:426:SER:N 2.50 0.651:B:3437:ARG:O 1:B:3440:SER:N 2.28 0.65

1:B:2748:GLU:HB3 1:B:2752:HIS:HD2 1.59 0.651:B:3241:THR:O 1:B:3242:ASP:CB 2.43 0.651:B:3541:PHE:O 1:B:3544:PHE:N 2.25 0.654:H:115:ASP:O 4:H:119:ASP:N 2.24 0.654:H:183:LYS:O 4:H:187:LEU:N 2.27 0.651:B:2998:GLU:O 1:B:3001:THR:N 2.30 0.64

1:B:2635:GLN:OE1 1:B:2635:GLN:N 2.28 0.646:F:191:ASN:HA 6:F:194:ILE:HD12 1.79 0.64





Clashoverlap (Å)

6:F:254:THR:O 6:F:258:THR:N 2.29 0.641:B:2821:ILE:CB 1:B:2849:TYR:HE2 2.06 0.64

1:B:3100:LEU:HD13 1:B:3100:LEU:C 2.17 0.641:B:3509:LEU:HA 1:B:3512:GLU:HB3 1.79 0.64

1:B:3253:LEU:HD21 1:B:3314:LEU:CA 2.27 0.641:B:2967:LEU:HD12 1:B:2967:LEU:C 2.17 0.641:B:3062:PHE:CZ 1:B:3658:GLU:CA 2.80 0.647:G:138:ALA:CB 7:G:165:ILE:CD1 2.69 0.645:A:1247:ASP:O 5:A:1248:THR:CB 2.44 0.645:A:2243:ILE:CB 5:A:2252:SER:O 2.46 0.641:B:3159:ILE:O 1:B:3163:TYR:N 2.31 0.64

1:B:3427:ASN:HD22 1:B:3428:LYS:N 1.94 0.645:A:1152:ALA:C 5:A:1154:SER:H 1.97 0.645:A:217:SER:O 5:A:219:PHE:N 2.30 0.645:A:389:PRO:O 5:A:392:TYR:N 2.30 0.645:A:483:ASP:O 5:A:487:LYS:N 2.30 0.641:B:2691:GLY:O 1:B:2695:GLU:N 2.31 0.641:B:3509:LEU:O 1:B:3513:ILE:N 2.27 0.641:B:3652:LEU:C 1:B:3652:LEU:HD22 2.17 0.645:A:122:LEU:CB 5:A:219:PHE:CB 2.75 0.635:A:579:PRO:O 5:A:583:ALA:N 2.31 0.637:G:138:ALA:HA 7:G:152:VAL:CG1 2.28 0.634:H:189:ARG:O 4:H:193:LEU:N 2.20 0.635:A:1091:SER:O 5:A:1099:ALA:HB2 1.98 0.635:A:976:ALA:O 5:A:992:SER:CB 2.46 0.63

1:B:3100:LEU:HD22 1:B:3100:LEU:C 2.17 0.631:B:3171:LEU:C 1:B:3174:THR:HG1 2.00 0.63

1:B:3474:PHE:HE2 1:B:3526:VAL:HG21 0.93 0.635:A:1117:THR:O 5:A:1121:ASN:N 2.29 0.631:B:2651:ASN:O 1:B:2654:ILE:N 2.31 0.631:B:3646:PHE:CB 1:B:3720:ILE:HD11 2.28 0.633:D:278:UNK:O 3:D:282:UNK:N 2.31 0.636:F:16:ALA:HB2 6:F:107:PRO:HG2 1.80 0.636:F:71:LEU:CD1 6:F:229:LEU:HD22 2.29 0.635:A:686:LEU:O 5:A:690:PHE:N 2.20 0.63

6:F:107:PRO:HB2 6:F:469:TRP:CZ3 2.34 0.635:A:1580:LEU:O 5:A:1583:LYS:CB 2.47 0.636:F:213:LYS:HE3 6:F:213:LYS:HA 1.80 0.636:F:266:ALA:C 6:F:282:ASN:HD21 2.01 0.631:B:2779:SER:O 1:B:2783:VAL:N 2.27 0.631:B:2651:ASN:O 1:B:2652:THR:C 2.37 0.62





Clashoverlap (Å)

1:B:3040:ASN:OD1 1:B:3060:TRP:CZ2 2.52 0.621:B:3229:LEU:HD12 1:B:3229:LEU:C 2.18 0.621:B:3462:VAL:O 1:B:3464:PHE:N 2.32 0.62

1:B:3740:PHE:HB3 1:B:3742:PRO:HD3 1.80 0.623:D:277:UNK:O 3:D:281:UNK:N 2.31 0.622:C:673:SER:O 2:C:675:HIS:N 2.32 0.627:G:73:HIS:HA 7:G:159:VAL:HG13 1.82 0.624:H:24:GLU:O 4:H:28:ASN:N 2.27 0.625:A:430:THR:C 5:A:432:GLN:N 2.53 0.621:B:2961:ASP:C 1:B:2963:CYS:N 2.48 0.621:B:3493:LEU:C 1:B:3493:LEU:HD13 2.19 0.621:B:3703:VAL:C 1:B:3704:ALA:O 2.36 0.621:B:3244:ASP:O 1:B:3247:ARG:CG 2.45 0.621:B:3474:PHE:CG 1:B:3526:VAL:CG1 2.75 0.627:G:163:VAL:HG23 7:G:175:ILE:CB 2.28 0.627:G:273:GLY:O 7:G:277:THR:N 2.28 0.625:A:1069:LYS:O 5:A:1070:ARG:C 2.37 0.625:A:487:LYS:O 5:A:491:ARG:N 2.17 0.62

7:G:151:ILE:HG23 7:G:151:ILE:O 2.00 0.625:A:137:LEU:O 5:A:138:ASP:C 2.37 0.62

6:F:413:GLY:HA3 6:F:449:GLN:HE21 1.64 0.625:A:217:SER:O 5:A:218:MET:C 2.38 0.625:A:2256:GLY:O 5:A:2260:ALA:N 2.28 0.625:A:424:ASP:C 5:A:426:SER:H 2.03 0.62

1:B:2912:ILE:HD13 1:B:2912:ILE:N 2.14 0.621:B:3492:LYS:HD2 1:B:3492:LYS:N 2.14 0.626:F:112:GLU:OE1 6:F:116:ASN:ND2 2.24 0.626:F:301:PRO:HG2 6:F:304:TRP:HB2 1.81 0.625:A:1506:LEU:C 5:A:1508:GLU:N 2.51 0.621:B:3055:LYS:CB 1:B:3059:GLN:CG 2.78 0.621:B:3404:ALA:O 1:B:3457:ILE:CG2 2.48 0.624:H:191:THR:O 4:H:195:LYS:N 2.33 0.624:H:51:GLN:O 4:H:54:LEU:N 2.32 0.625:A:1036:PRO:C 5:A:1038:ASN:H 2.02 0.621:B:2822:GLN:O 1:B:2824:SER:N 2.32 0.625:A:1090:THR:C 5:A:1092:ILE:N 2.53 0.615:A:346:GLU:O 5:A:350:ALA:N 2.25 0.613:D:161:UNK:O 3:D:166:UNK:N 2.33 0.61

5:A:897:GLY:HA2 5:A:948:ILE:HD11 1.81 0.611:B:3116:MET:O 1:B:3117:LEU:C 2.38 0.617:G:131:ALA:HA 7:G:358:SER:HA 1.82 0.61





Clashoverlap (Å)

1:B:3489:MET:HE1 1:B:3511:VAL:CG2 2.30 0.613:D:74:UNK:O 3:D:75:UNK:CB 2.48 0.618:E:360:ASN:O 8:E:364:GLU:HG3 1.99 0.616:F:32:GLY:HA2 8:E:373:PHE:HZ 1.65 0.611:B:3418:ARG:O 1:B:3422:LEU:HD22 1.99 0.61

1:B:3422:LEU:HD22 1:B:3422:LEU:N 2.09 0.612:C:739:SER:HA 3:D:328:UNK:O 2.01 0.615:A:1859:LEU:C 5:A:1861:ARG:N 2.53 0.61

1:B:2885:ARG:HD3 1:B:2885:ARG:C 2.20 0.611:B:3068:LEU:HD22 1:B:3081:ALA:HB3 1.79 0.611:B:3492:LYS:HA 1:B:3492:LYS:CE 2.28 0.612:C:721:GLN:O 2:C:724:LEU:N 2.32 0.613:D:168:UNK:O 3:D:171:UNK:N 2.34 0.616:F:80:VAL:HB 6:F:83:TRP:CZ2 2.36 0.61

7:G:150:GLY:HA3 7:G:296:ASN:HB2 1.81 0.614:H:119:ASP:O 4:H:122:LYS:N 2.30 0.61

1:B:3418:ARG:HH11 1:B:3418:ARG:CG 2.14 0.616:F:153:PRO:HB3 8:E:363:LEU:HD13 1.82 0.611:B:2651:ASN:H 1:B:2651:ASN:ND2 1.98 0.616:F:71:LEU:HD11 6:F:229:LEU:CD1 2.25 0.617:G:139:VAL:N 7:G:165:ILE:HD13 2.16 0.614:H:25:LEU:O 4:H:29:GLY:N 2.27 0.61

1:B:3062:PHE:HZ 1:B:3657:ASN:O 1.83 0.616:F:72:LYS:HZ3 6:F:72:LYS:HB3 1.63 0.611:B:3354:ILE:CB 1:B:3355:PRO:CD 2.79 0.611:B:3427:ASN:HA 1:B:3443:PHE:HZ 1.58 0.611:B:3062:PHE:CZ 1:B:3658:GLU:N 2.69 0.617:G:149:THR:HG23 7:G:166:TYR:HA 1.83 0.61

7:G:19:ALA:N 7:G:29:ALA:O 2.34 0.614:H:231:SER:O 4:H:235:LEU:N 2.33 0.616:F:272:SER:OG 6:F:276:GLU:N 2.33 0.616:F:446:ILE:H 6:F:446:ILE:HD12 1.64 0.616:F:87:GLN:CA 6:F:132:MET:HE2 2.31 0.616:F:8:VAL:HG21 8:E:368:TRP:O 2.01 0.61

1:B:3101:LEU:HD22 1:B:3104:ILE:HB 1.81 0.601:B:3106:TRP:CZ2 1:B:3668:ARG:HB3 2.32 0.60

7:G:9:VAL:N 7:G:20:GLY:O 2.25 0.601:B:2895:VAL:HG12 1:B:2895:VAL:O 2.02 0.601:B:3489:MET:HE2 1:B:3511:VAL:HG23 1.83 0.601:B:3556:VAL:O 1:B:3559:SER:OG 2.11 0.607:G:107:GLU:HB2 7:G:111:ASN:HD22 1.65 0.60





Clashoverlap (Å)

7:G:7:ALA:O 7:G:22:ALA:N 2.33 0.601:B:2636:SER:HA 1:B:2639:ILE:HG13 1.83 0.601:B:3394:ARG:HA 1:B:3398:GLY:HA2 1.83 0.608:E:366:ALA:C 8:E:368:TRP:H 2.05 0.605:A:1938:ALA:O 5:A:1942:VAL:N 2.31 0.601:B:3019:LYS:HG3 1:B:3020:ALA:N 2.17 0.601:B:3139:GLN:CB 1:B:3418:ARG:CZ 2.76 0.606:F:308:ASN:OD1 6:F:309:SER:N 2.34 0.607:G:33:SER:O 7:G:33:SER:OG 2.18 0.605:A:976:ALA:O 5:A:992:SER:CA 2.50 0.605:A:634:PHE:O 5:A:638:PHE:N 2.33 0.605:A:872:LEU:O 5:A:876:LEU:N 2.28 0.60

1:B:3068:LEU:HD12 1:B:3069:SER:N 2.17 0.601:B:3423:TYR:CB 1:B:3558:MET:HE2 2.32 0.601:B:3071:GLU:O 1:B:3072:PRO:O 2.19 0.602:C:739:SER:CB 3:D:328:UNK:O 2.49 0.607:G:147:ARG:NE 7:G:296:ASN:OD1 2.34 0.605:A:995:PRO:CB 5:A:2558:ARG:CB 2.80 0.605:A:878:PHE:O 5:A:881:LYS:N 2.34 0.60

1:B:3169:PHE:CE1 1:B:3451:LEU:CG 2.85 0.601:B:3577:THR:O 5:A:965:ASP:N 2.35 0.607:G:150:GLY:O 7:G:293:LEU:HD23 2.02 0.605:A:2389:SER:O 5:A:2390:LEU:C 2.39 0.601:B:2638:ASN:O 1:B:2642:SER:CA 2.49 0.601:B:2690:ILE:CB 1:B:3715:VAL:CB 2.80 0.601:B:3423:TYR:CB 1:B:3558:MET:HE1 2.32 0.595:A:682:LEU:O 5:A:686:LEU:N 2.25 0.591:B:3441:ILE:O 1:B:3441:ILE:HG22 2.01 0.598:E:370:GLN:O 8:E:374:LYS:N 2.25 0.596:F:66:ARG:HB3 6:F:66:ARG:CZ 2.32 0.597:G:34:ILE:HD12 7:G:55:GLY:O 2.02 0.591:B:3169:PHE:CE1 1:B:3451:LEU:HG 2.37 0.591:B:3544:PHE:HE1 1:B:3579:GLY:HA2 1.67 0.596:F:171:VAL:O 6:F:174:MET:N 2.26 0.595:A:976:ALA:O 5:A:992:SER:HA 2.02 0.591:B:2970:ILE:O 1:B:2970:ILE:HG22 2.00 0.597:G:353:GLN:HA 7:G:356:TRP:CD1 2.38 0.595:A:1646:ASN:O 5:A:1647:PHE:C 2.39 0.595:A:914:ASP:O 5:A:917:ILE:N 2.35 0.59

1:B:2643:ILE:HG23 1:B:2643:ILE:O 2.00 0.596:F:91:GLN:H 6:F:132:MET:HE3 1.68 0.59





Clashoverlap (Å)

6:F:99:TYR:OH 7:G:177:ARG:NH1 2.36 0.595:A:430:THR:O 5:A:433:ILE:N 2.35 0.591:B:2670:GLN:C 1:B:2837:PRO:HG3 2.23 0.591:B:2835:TYR:O 1:B:2839:HIS:N 2.35 0.591:B:3085:TYR:CB 1:B:3104:ILE:CD1 2.81 0.596:F:442:THR:HG21 6:F:448:ARG:CD 2.33 0.597:G:192:ILE:HD12 7:G:253:GLU:HG2 1.84 0.597:G:287:VAL:HG23 7:G:287:VAL:O 2.02 0.595:A:1091:SER:O 5:A:1099:ALA:CB 2.51 0.595:A:982:ILE:CB 5:A:2481:ASN:CA 2.80 0.59

1:B:3366:VAL:HG13 1:B:3366:VAL:O 2.02 0.596:F:171:VAL:HG11 6:F:400:LEU:HD13 1.84 0.591:B:3664:ALA:O 1:B:3667:ILE:HG13 2.03 0.585:A:894:VAL:O 5:A:897:GLY:N 2.33 0.585:A:1107:LEU:O 5:A:1111:CYS:N 2.36 0.585:A:474:ARG:O 5:A:478:LEU:N 2.35 0.585:A:594:LEU:O 5:A:597:ILE:N 2.36 0.58

6:F:211:GLN:HB2 6:F:217:ILE:HD12 1.84 0.587:G:172:PRO:HA 7:G:175:ILE:HD12 1.85 0.581:B:3097:ILE:O 1:B:3097:ILE:HG22 2.02 0.586:F:213:LYS:CE 6:F:213:LYS:HA 2.33 0.586:F:230:TYR:O 6:F:234:ASN:ND2 2.36 0.587:G:5:VAL:HB 7:G:101:HIS:CE1 2.37 0.587:G:159:VAL:HB 7:G:179:ASP:HA 1.83 0.581:B:3547:GLN:O 1:B:3551:GLN:N 2.31 0.587:G:357:ILE:HA 7:G:361:GLU:OE1 2.04 0.585:A:927:ALA:O 5:A:930:ASN:OD1 2.21 0.58

1:B:2851:GLU:HA 1:B:2854:GLU:HB2 1.85 0.581:B:2817:CYS:CB 1:B:2852:PHE:CE2 2.86 0.581:B:3106:TRP:HZ3 1:B:3668:ARG:CD 1.91 0.581:B:3483:ASP:N 1:B:3483:ASP:OD1 2.34 0.587:G:144:SER:OG 7:G:338:SER:HB3 2.04 0.585:A:341:SER:O 5:A:345:LYS:N 2.33 0.581:B:3354:ILE:CB 1:B:3369:ILE:O 2.51 0.586:F:116:ASN:OD1 6:F:117:SER:N 2.37 0.584:H:109:ASP:O 4:H:113:LEU:N 2.22 0.585:A:1372:GLU:C 5:A:1374:LEU:N 2.57 0.581:B:3644:ASN:C 1:B:3647:THR:OG1 2.42 0.586:F:94:LEU:O 6:F:100:LEU:N 2.35 0.58

1:B:2844:HIS:HA 1:B:2847:GLN:HB3 1.86 0.581:B:3404:ALA:C 1:B:3457:ILE:HG22 2.24 0.58





Clashoverlap (Å)

5:A:2601:ASN:O 5:A:2604:ASN:N 2.37 0.581:B:3421:GLN:OE1 1:B:3421:GLN:N 2.37 0.583:D:286:UNK:O 3:D:290:UNK:N 2.37 0.586:F:87:GLN:HA 6:F:132:MET:HE2 1.86 0.587:G:335:ARG:HA 7:G:338:SER:OG 2.04 0.587:G:139:VAL:HG13 7:G:165:ILE:CG2 2.29 0.576:F:58:SER:HB2 6:F:92:TRP:HH2 1.69 0.577:G:79:TRP:HZ2 7:G:115:ASN:OD1 1.85 0.576:F:444:HIS:O 6:F:446:ILE:CA 2.52 0.57

6:F:483:LEU:HG 6:F:487:ARG:HH12 1.70 0.575:A:1373:GLU:O 5:A:1377:LEU:N 2.34 0.571:B:3168:HIS:O 1:B:3172:ARG:CB 2.49 0.57

1:B:3515:ASN:ND2 1:B:3733:LEU:HD22 2.20 0.576:F:261:GLU:O 6:F:265:THR:HB 2.05 0.576:F:70:GLU:HG2 6:F:70:GLU:O 2.04 0.575:A:1581:GLU:O 5:A:1585:ARG:CA 2.52 0.57

1:B:3229:LEU:HD12 1:B:3229:LEU:O 2.02 0.576:F:210:LYS:HB3 6:F:217:ILE:HG22 1.85 0.575:A:2179:TRP:O 5:A:2183:ASN:N 2.28 0.575:A:2369:VAL:O 5:A:2370:LYS:C 2.42 0.575:A:2410:THR:O 5:A:2414:VAL:N 2.35 0.571:B:2941:HIS:N 1:B:2941:HIS:CD2 2.73 0.573:D:172:UNK:O 3:D:176:UNK:N 2.38 0.575:A:1097:ASP:C 5:A:1099:ALA:N 2.58 0.571:B:3054:ALA:O 1:B:3055:LYS:C 2.43 0.57

1:B:3740:PHE:HB2 1:B:3742:PRO:HD3 1.85 0.576:F:25:THR:HG22 6:F:41:PRO:HA 1.87 0.576:F:83:TRP:HB3 6:F:127:VAL:HG21 1.87 0.573:D:185:UNK:O 6:F:9:TYR:N 2.38 0.577:G:279:TYR:CZ 7:G:283:MET:HG3 2.40 0.577:G:137:GLN:HG3 7:G:339:VAL:HG11 1.87 0.577:G:349:LEU:HB2 7:G:352:PHE:HB3 1.86 0.571:B:2637:ILE:HG13 1:B:2665:LEU:HD12 1.86 0.571:B:2943:ILE:C 1:B:2970:ILE:HD11 2.25 0.57

7:G:250:ILE:HG22 7:G:254:ARG:HG3 1.87 0.571:B:3576:LYS:CD 1:B:3576:LYS:H 2.13 0.571:B:3503:ALA:HB1 1:B:3506:MET:HB2 1.87 0.566:F:10:GLY:HA2 6:F:463:GLY:H 1.69 0.566:F:87:GLN:CA 6:F:132:MET:CE 2.82 0.566:F:148:PHE:HD2 6:F:459:LEU:HD11 1.70 0.567:G:238:LYS:O 7:G:250:ILE:N 2.38 0.56





Clashoverlap (Å)

7:G:34:ILE:HG12 7:G:69:TYR:CE1 2.39 0.561:B:3055:LYS:O 1:B:3056:ALA:C 2.43 0.56

1:B:3489:MET:CE 1:B:3511:VAL:CG2 2.83 0.565:A:1295:GLU:O 5:A:1356:ALA:HB1 2.04 0.56

1:B:3555:PHE:HB2 1:B:3558:MET:HB3 1.87 0.562:C:715:PRO:O 2:C:716:ARG:C 2.43 0.561:B:2964:ILE:N 1:B:2964:ILE:HD13 2.19 0.56

1:B:3171:LEU:CG 1:B:3172:ARG:N 2.69 0.566:F:120:ASN:HA 6:F:123:LYS:HB3 1.88 0.567:G:8:LEU:HD12 7:G:103:VAL:HG22 1.87 0.566:F:170:ILE:HD13 6:F:175:THR:HA 1.87 0.561:B:2847:GLN:OE1 1:B:2847:GLN:HA 2.04 0.566:F:462:LEU:HD21 8:E:369:MET:HB2 1.88 0.567:G:36:GLY:HA3 7:G:67:LEU:HD23 1.88 0.565:A:2524:LYS:O 5:A:2528:ALA:N 2.38 0.56

1:B:3068:LEU:HB3 1:B:3078:ALA:CA 2.36 0.563:D:79:UNK:O 3:D:80:UNK:C 2.50 0.56

7:G:287:VAL:HG12 7:G:290:ARG:CZ 2.35 0.561:B:2651:ASN:H 1:B:2651:ASN:HD22 1.54 0.561:B:3085:TYR:CA 1:B:3104:ILE:HD11 2.35 0.561:B:3568:THR:CG2 1:B:3569:PRO:CD 2.75 0.565:A:1152:ALA:C 5:A:1154:SER:N 2.57 0.561:B:2991:CYS:CB 1:B:2999:LEU:CB 2.83 0.561:B:3089:ALA:HB1 1:B:3100:LEU:HD11 1.88 0.567:G:300:SER:N 7:G:304:THR:HG21 2.20 0.565:A:1036:PRO:C 5:A:1038:ASN:N 2.59 0.561:B:2849:TYR:HA 1:B:2852:PHE:HB3 1.87 0.561:B:3068:LEU:CB 1:B:3078:ALA:HB2 2.33 0.561:B:3106:TRP:CZ3 1:B:3668:ARG:NH2 2.74 0.561:B:3354:ILE:HA 1:B:3371:ILE:N 2.15 0.561:B:3432:LYS:HB2 1:B:3432:LYS:NZ 2.21 0.561:B:3517:ILE:O 1:B:3521:PHE:N 2.36 0.566:F:213:LYS:HE3 6:F:213:LYS:O 2.05 0.561:B:3366:VAL:O 1:B:3367:HIS:O 2.24 0.551:B:3437:ARG:C 1:B:3440:SER:H 2.09 0.551:B:3573:HIS:HB3 1:B:3582:PHE:HB3 1.87 0.556:F:44:TYR:HB3 6:F:74:ILE:HD11 1.88 0.557:G:58:ALA:HB1 7:G:67:LEU:HD22 1.87 0.551:B:3055:LYS:O 1:B:3059:GLN:HB2 2.06 0.55

1:B:3085:TYR:CB 1:B:3104:ILE:HD11 2.36 0.555:A:424:ASP:O 5:A:425:GLU:C 2.45 0.55





Clashoverlap (Å)

1:B:3015:GLY:HA2 1:B:3019:LYS:HB3 1.88 0.556:F:245:THR:OG1 6:F:246:LEU:HD12 2.05 0.557:G:187:ASP:O 7:G:191:LYS:HG3 2.07 0.552:C:797:ALA:O 2:C:801:LEU:N 2.39 0.556:F:266:ALA:O 6:F:282:ASN:ND2 2.34 0.556:F:87:GLN:C 6:F:132:MET:HE1 2.25 0.551:B:3462:VAL:C 1:B:3464:PHE:H 2.10 0.557:G:6:ALA:O 7:G:101:HIS:ND1 2.34 0.55

5:A:591:MET:O 5:A:595:LYS:N 2.23 0.557:G:27:PRO:HB3 7:G:340:TRP:CE2 2.42 0.555:A:1103:LEU:C 5:A:1105:ASN:H 2.09 0.555:A:1372:GLU:O 5:A:1374:LEU:CA 2.54 0.556:F:308:ASN:HA 6:F:382:LEU:H 1.71 0.557:G:16:MET:O 7:G:18:LYS:HG3 2.06 0.557:G:150:GLY:O 7:G:293:LEU:HD22 2.07 0.555:A:681:GLU:O 5:A:685:TYR:N 2.26 0.551:B:3085:TYR:O 1:B:3104:ILE:HD11 2.06 0.557:G:332:PRO:HD2 7:G:335:ARG:HB3 1.88 0.555:A:2564:PHE:CB 5:A:2607:LEU:O 2.55 0.551:B:2822:GLN:O 1:B:2823:LEU:C 2.44 0.55

1:B:3023:PHE:HB3 1:B:3046:ALA:HB1 1.89 0.551:B:3375:LEU:CB 1:B:3376:PRO:HD2 2.37 0.551:B:3656:ASP:C 1:B:3658:GLU:N 2.59 0.555:A:1372:GLU:O 5:A:1374:LEU:C 2.44 0.545:A:2567:VAL:C 5:A:2569:LYS:N 2.52 0.541:B:2797:PHE:HA 1:B:2852:PHE:HE1 1.71 0.541:B:3217:THR:HA 1:B:3220:PRO:HG3 1.89 0.541:B:3717:THR:O 1:B:3720:ILE:HB 2.06 0.541:B:3741:MET:N 1:B:3742:PRO:HD3 2.00 0.547:G:286:ASP:HB2 7:G:288:ASP:OD2 2.08 0.547:G:108:ALA:HB1 7:G:109:PRO:HD2 1.89 0.547:G:330:ILE:HG22 7:G:332:PRO:HD3 1.89 0.541:B:3062:PHE:CZ 1:B:3658:GLU:CB 2.91 0.547:G:10:ILE:HA 7:G:19:ALA:HA 1.88 0.547:G:84:LYS:HA 7:G:87:HIS:HB3 1.90 0.547:G:54:VAL:HB 7:G:88:HIS:CG 2.42 0.541:B:2634:TYR:N 1:B:2634:TYR:CD1 2.75 0.541:B:3731:ARG:CD 2:C:694:TRP:CD1 2.88 0.546:F:458:ILE:HG12 8:E:373:PHE:HD2 1.72 0.541:B:3479:GLY:O 1:B:3480:PHE:O 2.26 0.541:B:3712:THR:CB 1:B:3713:PRO:HD2 2.37 0.54





Clashoverlap (Å)

6:F:20:ASP:OD2 6:F:452:SER:OG 2.18 0.547:G:107:GLU:HB3 7:G:134:VAL:HG11 1.89 0.545:A:1090:THR:O 5:A:1093:LYS:N 2.39 0.545:A:2225:ILE:HA 5:A:2229:GLU:CB 2.38 0.545:A:580:ILE:HA 5:A:583:ALA:CB 2.38 0.545:A:873:ALA:O 5:A:877:PRO:N 2.41 0.54

1:B:3586:MET:SD 1:B:3586:MET:N 2.81 0.546:F:0:PRO:HB3 7:G:371:HIS:HB3 1.90 0.548:E:365:GLU:O 8:E:368:TRP:HB2 2.08 0.546:F:428:LEU:CB 6:F:437:PHE:CE2 2.85 0.54

1:B:2635:GLN:NE2 1:B:3539:GLU:CB 2.70 0.543:D:168:UNK:O 3:D:170:UNK:N 2.41 0.54

6:F:438:ARG:HG2 6:F:440:LEU:HD22 1.90 0.541:B:2635:GLN:HE21 1:B:3539:GLU:CB 2.20 0.541:B:3100:LEU:O 1:B:3100:LEU:HD22 2.06 0.54

1:B:3247:ARG:HH12 1:B:3407:TYR:CB 2.21 0.546:F:35:PHE:CD1 6:F:36:PRO:HD2 2.43 0.54

1:B:3044:ALA:HB2 1:B:3060:TRP:CH2 2.43 0.533:D:424:UNK:O 3:D:428:UNK:N 2.42 0.536:F:66:ARG:HG3 6:F:69:TYR:CG 2.43 0.537:G:349:LEU:HD13 8:E:394:TYR:CD2 2.44 0.535:A:601:LEU:O 5:A:604:PHE:N 2.41 0.537:G:91:TYR:HA 7:G:95:ARG:HA 1.90 0.535:A:1044:LYS:C 5:A:1046:ALA:N 2.62 0.53

1:B:3062:PHE:CE2 1:B:3658:GLU:CB 2.91 0.531:B:3171:LEU:O 1:B:3172:ARG:C 2.47 0.531:B:3644:ASN:C 1:B:3647:THR:HG1 2.09 0.533:D:65:UNK:O 3:D:66:UNK:O 2.27 0.536:F:302:ALA:HA 6:F:306:ARG:HH21 1.73 0.536:F:447:GLU:HG2 6:F:450:TYR:OH 2.08 0.533:D:285:UNK:O 3:D:289:UNK:N 2.42 0.531:B:2961:ASP:O 1:B:2963:CYS:N 2.41 0.537:G:83:GLU:O 7:G:87:HIS:N 2.38 0.53

1:B:3568:THR:HG21 1:B:3739:ASN:HB3 1.91 0.532:C:694:TRP:HA 2:C:697:PHE:HD2 1.74 0.533:D:171:UNK:O 3:D:175:UNK:N 2.42 0.536:F:465:PHE:CE1 6:F:468:LEU:HD22 2.43 0.536:F:466:HIS:HA 6:F:469:TRP:CD1 2.44 0.535:A:2036:LEU:O 5:A:2039:GLU:N 2.42 0.535:A:1045:THR:CB 5:A:2511:VAL:CB 2.87 0.531:B:3099:GLU:HG2 1:B:3099:GLU:O 2.08 0.53





Clashoverlap (Å)

1:B:3493:LEU:HD13 1:B:3497:HIS:HB2 1.89 0.532:C:677:THR:O 2:C:678:HIS:O 2.26 0.53

6:F:211:GLN:HB2 6:F:217:ILE:HB 1.90 0.536:F:444:HIS:C 6:F:446:ILE:N 2.52 0.536:F:84:ASP:O 6:F:87:GLN:HB3 2.08 0.535:A:1652:ILE:O 5:A:1654:ASN:N 2.41 0.53

1:B:3020:ALA:HB1 1:B:3050:ASP:CB 2.39 0.531:B:3354:ILE:CB 1:B:3355:PRO:HD2 2.38 0.533:D:170:UNK:O 3:D:174:UNK:N 2.42 0.535:A:410:GLU:O 5:A:412:GLU:N 2.42 0.531:B:2822:GLN:C 1:B:2824:SER:N 2.61 0.533:D:180:UNK:C 3:D:182:UNK:H 2.21 0.536:F:151:GLY:H 8:E:370:GLN:HE22 1.57 0.535:A:982:ILE:CB 5:A:2480:PHE:C 2.78 0.52

1:B:3107:LEU:HD12 1:B:3110:ILE:HD12 1.90 0.521:B:3389:ARG:O 1:B:3404:ALA:HA 2.10 0.521:B:3505:ASP:HA 1:B:3508:ILE:HB 1.91 0.526:F:249:ILE:HD12 6:F:420:LEU:HB2 1.91 0.521:B:3517:ILE:O 1:B:3520:MET:N 2.43 0.526:F:190:ILE:O 6:F:194:ILE:HG13 2.09 0.527:G:80:ASP:O 7:G:83:GLU:HB3 2.08 0.52

1:B:3246:PHE:HE2 1:B:3322:GLU:HA 1.75 0.522:C:689:GLU:C 2:C:691:ARG:H 2.12 0.521:B:2944:ALA:N 1:B:2970:ILE:CD1 2.73 0.52

1:B:3541:PHE:HE2 1:B:3545:ARG:NE 2.07 0.526:F:8:VAL:CG2 8:E:368:TRP:HB3 2.38 0.52

6:F:442:THR:HG1 6:F:443:GLY:H 1.52 0.521:B:3085:TYR:O 1:B:3104:ILE:CD1 2.56 0.521:B:3436:THR:O 1:B:3440:SER:N 2.43 0.526:F:19:ILE:HG22 6:F:21:PRO:HD3 1.91 0.526:F:80:VAL:HB 6:F:83:TRP:CH2 2.43 0.525:A:516:GLU:C 5:A:518:MET:N 2.62 0.521:B:3576:LYS:CD 1:B:3576:LYS:N 2.73 0.526:F:119:GLU:O 6:F:123:LYS:N 2.24 0.525:A:430:THR:O 5:A:432:GLN:CA 2.56 0.525:A:787:HIS:O 5:A:791:LEU:N 2.28 0.522:C:692:THR:N 2:C:693:PRO:CD 2.73 0.526:F:62:ILE:HG12 6:F:71:LEU:HD23 1.91 0.527:G:86:TRP:NE1 7:G:105:LEU:HD21 2.24 0.521:B:3160:ALA:HA 1:B:3167:LEU:CD2 2.39 0.521:B:3387:SER:O 1:B:3388:TYR:O 2.27 0.52





Clashoverlap (Å)

1:B:3553:SER:O 1:B:3556:VAL:HG22 2.10 0.526:F:114:VAL:HG11 6:F:180:THR:HG21 1.92 0.526:F:442:THR:HG21 6:F:448:ARG:HG2 1.91 0.526:F:447:GLU:HG2 6:F:450:TYR:CZ 2.45 0.521:B:3432:LYS:NZ 1:B:3432:LYS:CB 2.73 0.521:B:3432:LYS:HZ2 1:B:3432:LYS:HB2 1.74 0.521:B:3721:LEU:HA 1:B:3724:ILE:HD12 1.91 0.522:C:722:GLN:O 2:C:724:LEU:N 2.42 0.526:F:151:GLY:H 8:E:370:GLN:NE2 2.07 0.52

7:G:169:PHE:CE1 8:E:381:VAL:HG22 2.45 0.525:A:1027:LEU:O 5:A:1030:LYS:N 2.37 0.51

1:B:3246:PHE:CE2 1:B:3322:GLU:HA 2.45 0.511:B:3706:LEU:CB 1:B:3720:ILE:HG13 2.40 0.516:F:291:GLU:HG3 6:F:296:LYS:H 1.75 0.517:G:208:ILE:HD12 7:G:208:ILE:H 1.75 0.513:D:438:UNK:O 6:F:266:ALA:N 2.42 0.515:A:389:PRO:O 5:A:390:LEU:C 2.48 0.51

1:B:2659:GLU:HG2 1:B:2681:ARG:CB 2.36 0.511:B:3020:ALA:CB 1:B:3050:ASP:CB 2.89 0.511:B:3418:ARG:NH1 1:B:3418:ARG:CG 2.73 0.511:B:3492:LYS:HD2 1:B:3492:LYS:H 1.75 0.511:B:3492:LYS:CD 1:B:3492:LYS:N 2.73 0.516:F:151:GLY:O 8:E:367:LYS:HE2 2.11 0.516:F:20:ASP:OD2 6:F:453:TRP:N 2.43 0.515:A:958:GLN:O 5:A:960:LEU:N 2.43 0.511:B:3551:GLN:O 1:B:3553:SER:N 2.43 0.512:C:739:SER:CA 3:D:328:UNK:O 2.58 0.513:D:414:UNK:C 3:D:416:UNK:H 2.22 0.515:A:1157:ILE:C 5:A:1159:GLU:N 2.60 0.515:A:348:LEU:O 5:A:352:ARG:N 2.36 0.511:B:2998:GLU:O 1:B:2999:LEU:C 2.48 0.515:A:2012:ASN:O 5:A:2016:PHE:N 2.43 0.516:F:48:THR:O 6:F:50:ASP:N 2.44 0.517:G:37:ARG:C 7:G:65:LEU:HB3 2.31 0.515:A:1103:LEU:O 5:A:1105:ASN:N 2.40 0.515:A:972:LEU:O 5:A:973:ASP:C 2.47 0.511:B:2898:TRP:C 1:B:2898:TRP:HE3 2.13 0.511:B:3171:LEU:O 1:B:3174:THR:CB 2.59 0.511:B:3464:PHE:HA 1:B:3576:LYS:NZ 2.26 0.511:B:3666:PHE:HA 1:B:3669:ASP:OD2 2.10 0.517:G:9:VAL:HG13 7:G:104:LEU:HD23 1.93 0.51





Clashoverlap (Å)

5:A:2541:PHE:O 5:A:2544:SER:N 2.44 0.515:A:957:ARG:O 5:A:959:PHE:N 2.44 0.51

1:B:3097:ILE:CD1 1:B:3097:ILE:N 2.73 0.511:B:3555:PHE:CD1 1:B:3581:VAL:HG11 2.45 0.516:F:241:GLU:HA 6:F:244:GLU:HG3 1.92 0.515:A:1867:LEU:O 5:A:1871:PHE:N 2.41 0.515:A:978:ALA:O 5:A:990:PRO:HA 2.11 0.51

1:B:3444:ASN:ND2 1:B:3580:ASN:HD22 2.08 0.511:B:3461:SER:CB 1:B:3464:PHE:CE2 2.94 0.511:B:3551:GLN:CD 1:B:3580:ASN:HA 2.31 0.511:B:3071:GLU:O 1:B:3072:PRO:C 2.48 0.511:B:3242:ASP:O 1:B:3245:LEU:N 2.44 0.511:B:3504:PRO:O 1:B:3507:THR:OG1 2.24 0.511:B:3576:LYS:HD3 1:B:3576:LYS:N 2.20 0.516:F:24:TYR:CD2 6:F:25:THR:HG23 2.46 0.507:G:109:PRO:HD2 7:G:161:HIS:CD2 2.46 0.507:G:132:PHE:CG 7:G:133:TYR:N 2.78 0.507:G:313:MET:O 7:G:317:ILE:HG12 2.11 0.505:A:137:LEU:C 5:A:139:SER:N 2.63 0.505:A:328:LEU:O 5:A:332:LEU:N 2.39 0.50

1:B:3247:ARG:CG 1:B:3248:LEU:N 2.74 0.501:B:3474:PHE:CD2 1:B:3526:VAL:CB 2.94 0.50

6:F:48:THR:C 6:F:50:ASP:H 2.14 0.505:A:871:VAL:O 5:A:874:PRO:N 2.45 0.501:B:2639:ILE:O 1:B:2643:ILE:N 2.43 0.501:B:3462:VAL:C 1:B:3464:PHE:N 2.65 0.506:F:27:ASN:ND2 6:F:450:TYR:HA 2.26 0.507:G:109:PRO:HG2 7:G:161:HIS:CD2 2.46 0.507:G:78:ASN:ND2 7:G:81:ASP:OD2 2.44 0.501:B:2633:TRP:CB 5:A:2625:TYR:N 2.75 0.505:A:425:GLU:O 5:A:426:SER:CB 2.60 0.501:B:2651:ASN:C 1:B:2653:LYS:N 2.64 0.506:F:187:GLY:O 6:F:243:LYS:NZ 2.44 0.505:A:1441:LEU:O 5:A:1445:PHE:CB 2.59 0.505:A:511:ASP:O 5:A:515:GLU:CA 2.60 0.505:A:1038:ASN:O 5:A:1039:TYR:C 2.50 0.501:B:2888:LEU:HA 5:A:953:GLY:HA2 1.94 0.505:A:982:ILE:CB 5:A:2481:ASN:N 2.75 0.50

1:B:3668:ARG:HG2 1:B:3672:ILE:HG23 1.93 0.507:G:138:ALA:C 7:G:165:ILE:CD1 2.80 0.50

7:G:208:ILE:HG12 7:G:243:PRO:HG3 1.92 0.50Continued on next page...




Clashoverlap (Å)

5:A:2381:ALA:O 5:A:2384:ILE:CB 2.60 0.501:B:3068:LEU:HB2 1:B:3078:ALA:HB2 1.83 0.501:B:3574:VAL:HA 1:B:3580:ASN:O 2.12 0.501:B:3618:GLU:O 1:B:3620:VAL:CA 2.60 0.50

1:B:3106:TRP:HE3 1:B:3665:LEU:HD12 1.73 0.502:C:695:GLN:O 2:C:699:ARG:HG2 2.11 0.503:D:11:UNK:O 3:D:13:UNK:N 2.44 0.501:B:3171:LEU:O 1:B:3174:THR:CA 2.60 0.491:B:3474:PHE:C 1:B:3474:PHE:CD1 2.85 0.496:F:412:GLY:O 6:F:415:SER:OG 2.28 0.497:G:345:ILE:O 7:G:349:LEU:HG 2.12 0.495:A:2260:ALA:O 5:A:2261:TRP:C 2.50 0.497:G:155:SER:HA 7:G:160:THR:HG23 1.93 0.497:G:139:VAL:N 7:G:165:ILE:CD1 2.75 0.49

1:B:2737:ALA:CB 1:B:2746:LEU:HD11 2.42 0.491:B:2912:ILE:CD1 1:B:2912:ILE:N 2.74 0.496:F:128:LEU:HD13 6:F:134:PHE:CE2 2.48 0.496:F:182:ARG:N 6:F:388:LEU:HD11 2.26 0.49

7:G:275:ASP:OD2 7:G:316:GLU:HB3 2.12 0.497:G:360:GLN:O 7:G:364:GLU:N 2.45 0.49

2:C:690:ARG:HH12 2:C:763:ALA:HB1 1.78 0.497:G:125:GLU:HG3 7:G:362:TYR:OH 2.13 0.494:H:185:LEU:O 4:H:189:ARG:N 2.32 0.49

1:B:3040:ASN:OD1 1:B:3060:TRP:HZ2 1.93 0.491:B:3424:ARG:HG2 1:B:3424:ARG:NH2 2.27 0.496:F:148:PHE:CD2 6:F:459:LEU:HD11 2.47 0.497:G:10:ILE:HG12 7:G:19:ALA:HB1 1.94 0.497:G:312:ARG:O 7:G:316:GLU:HG2 2.12 0.495:A:736:PHE:N 5:A:1543:LEU:O 2.46 0.495:A:1652:ILE:C 5:A:1654:ASN:H 2.15 0.49

1:B:2944:ALA:CA 1:B:2970:ILE:CD1 2.88 0.491:B:3570:HIS:C 1:B:3570:HIS:CD2 2.85 0.496:F:58:SER:HB2 6:F:92:TRP:CH2 2.47 0.497:G:138:ALA:HB1 7:G:163:VAL:HG12 1.95 0.497:G:286:ASP:HB2 7:G:288:ASP:OD1 2.11 0.495:A:1745:LEU:O 5:A:1749:ASP:N 2.32 0.491:B:3393:ILE:CB 1:B:3400:VAL:HA 2.43 0.491:B:3407:TYR:N 1:B:3408:PRO:HD3 2.20 0.491:B:3450:PRO:C 1:B:3451:LEU:HD13 2.27 0.493:D:3:UNK:O 3:D:7:UNK:N 2.45 0.49

6:F:122:LYS:HG2 6:F:484:LEU:HD11 1.94 0.49Continued on next page...




Clashoverlap (Å)

6:F:72:LYS:CD 6:F:73:PRO:HD2 2.41 0.495:A:741:LEU:O 5:A:744:LEU:N 2.46 0.491:B:2670:GLN:O 1:B:2837:PRO:HB3 2.11 0.49

1:B:3474:PHE:CE2 1:B:3526:VAL:CB 2.88 0.492:C:697:PHE:CD1 2:C:697:PHE:C 2.85 0.496:F:118:THR:HA 6:F:121:ARG:HD2 1.95 0.496:F:132:MET:HB2 6:F:134:PHE:CZ 2.47 0.496:F:193:LEU:HD21 6:F:299:ASP:HB3 1.95 0.495:A:2169:TYR:O 5:A:2173:LYS:N 2.46 0.495:A:2539:SER:O 5:A:2543:ASP:N 2.30 0.495:A:806:LEU:O 5:A:809:PHE:N 2.46 0.49

7:G:349:LEU:HD13 8:E:394:TYR:CE2 2.48 0.496:F:205:PRO:HG3 6:F:230:TYR:CD1 2.48 0.491:B:3086:LEU:HA 1:B:3104:ILE:HD12 1.94 0.481:B:3246:PHE:C 1:B:3246:PHE:CD1 2.85 0.481:B:3559:SER:HG 1:B:3560:TYR:N 2.11 0.486:F:70:GLU:HB2 6:F:226:ASP:OD2 2.11 0.486:F:466:HIS:HA 6:F:469:TRP:HD1 1.76 0.487:G:139:VAL:CA 7:G:165:ILE:HD13 2.43 0.481:B:3697:ASP:O 1:B:3701:ARG:HG3 2.13 0.483:D:215:UNK:O 3:D:216:UNK:CB 2.59 0.481:B:3143:SER:OG 1:B:3204:PRO:CB 2.61 0.482:C:763:ALA:O 2:C:767:CYS:N 2.42 0.486:F:297:GLU:O 6:F:300:ILE:N 2.44 0.485:A:1012:HIS:C 5:A:1014:ARG:N 2.67 0.481:B:3040:ASN:O 1:B:3060:TRP:HZ2 1.95 0.481:B:3098:ARG:O 1:B:3134:ILE:CB 2.61 0.481:B:3360:LEU:CB 1:B:3424:ARG:HH22 2.18 0.481:B:3372:ALA:HB3 1:B:3395:GLY:HA2 1.95 0.481:B:3503:ALA:O 1:B:3506:MET:HB3 2.13 0.48

1:B:3674:TRP:CZ3 1:B:3678:LEU:HB2 2.48 0.486:F:145:CYS:O 6:F:455:GLY:HA3 2.14 0.485:A:1962:THR:O 5:A:1966:TRP:N 2.31 0.481:B:3068:LEU:CB 1:B:3078:ALA:HA 2.40 0.481:B:3649:SER:HB2 1:B:3704:ALA:C 2.33 0.487:G:124:PHE:HB2 7:G:362:TYR:CD2 2.48 0.487:G:336:LYS:HG2 7:G:337:TYR:CE1 2.48 0.485:A:1012:HIS:C 5:A:1014:ARG:H 2.15 0.48

1:B:3468:HIS:ND1 1:B:3569:PRO:HB2 2.28 0.487:G:101:HIS:O 7:G:103:VAL:HG23 2.13 0.487:G:310:ALA:O 7:G:313:MET:HB2 2.14 0.48





Clashoverlap (Å)

1:B:2791:ARG:O 1:B:2792:GLN:C 2.51 0.481:B:3236:ARG:NE 1:B:3338:CYS:CB 2.76 0.481:B:3646:PHE:CB 1:B:3720:ILE:CD1 2.92 0.488:E:357:THR:N 8:E:361:ILE:HD12 2.29 0.487:G:312:ARG:O 7:G:316:GLU:N 2.28 0.481:B:3062:PHE:HZ 1:B:3658:GLU:HA 1.77 0.481:B:3650:ARG:O 1:B:3654:GLU:N 2.45 0.487:G:190:MET:SD 7:G:203:THR:HG22 2.53 0.481:B:2663:LEU:HA 1:B:2663:LEU:HD13 1.72 0.48

1:B:3509:LEU:HD12 1:B:3510:LYS:N 2.28 0.483:D:162:UNK:O 3:D:165:UNK:N 2.47 0.483:D:2:UNK:CB 3:D:16:UNK:HA 2.44 0.486:F:118:THR:O 6:F:121:ARG:HB2 2.13 0.485:A:2257:VAL:O 5:A:2261:TRP:N 2.41 0.476:F:190:ILE:HD11 6:F:292:LEU:HD11 1.96 0.476:F:444:HIS:O 6:F:447:GLU:N 2.47 0.47

6:F:447:GLU:HA 6:F:450:TYR:CE1 2.49 0.477:G:371:HIS:O 8:E:380:LYS:NZ 2.33 0.47

7:G:355:MET:HA 7:G:373:LYS:HZ1 1.80 0.475:A:1560:HIS:CB 5:A:1598:ARG:CB 2.92 0.475:A:1646:ASN:O 5:A:1648:TYR:N 2.47 0.47

1:B:2748:GLU:HB3 1:B:2752:HIS:NE2 2.29 0.477:G:261:LEU:HB3 7:G:274:ILE:HD13 1.96 0.475:A:834:ILE:O 5:A:838:LEU:N 2.27 0.471:B:3085:TYR:C 1:B:3104:ILE:HD13 2.24 0.473:D:168:UNK:O 3:D:169:UNK:C 2.62 0.476:F:213:LYS:CB 6:F:214:PRO:HD3 2.35 0.476:F:241:GLU:O 6:F:244:GLU:HB2 2.14 0.47

6:F:244:GLU:HB3 7:G:287:VAL:CG1 2.44 0.475:A:982:ILE:CB 5:A:2481:ASN:HA 2.42 0.47

1:B:3449:ILE:HG22 1:B:3451:LEU:HD11 1.97 0.472:C:695:GLN:O 2:C:699:ARG:CD 2.61 0.47

2:C:702:GLN:OE1 2:C:702:GLN:HA 2.14 0.476:F:432:LEU:HD21 6:F:435:LEU:HD22 1.96 0.476:F:36:PRO:HB3 6:F:453:TRP:CE2 2.48 0.476:F:174:MET:HA 6:F:489[A]:ARG:HB3 1.95 0.477:G:124:PHE:HB2 7:G:362:TYR:CE2 2.49 0.477:G:72:GLU:HB2 7:G:77:THR:HG21 1.97 0.471:B:2898:TRP:C 1:B:2898:TRP:CE3 2.88 0.471:B:2941:HIS:C 1:B:2943:ILE:H 2.18 0.47

1:B:3427:ASN:CA 1:B:3443:PHE:HZ 2.17 0.47Continued on next page...




Clashoverlap (Å)

1:B:3427:ASN:HD22 1:B:3428:LYS:H 1.61 0.476:F:107:PRO:HB2 6:F:469:TRP:CH2 2.49 0.475:A:1091:SER:HA 5:A:1099:ALA:CA 2.44 0.475:A:1417:LYS:HA 5:A:1420:ALA:HB3 1.97 0.475:A:1581:GLU:O 5:A:1585:ARG:CB 2.63 0.471:B:3491:ASP:HB3 1:B:3492:LYS:NZ 2.30 0.471:B:3545:ARG:NH1 1:B:3633:GLY:HA2 2.29 0.47

8:E:392:LYS:O 8:E:396:THR:HG23 2.15 0.477:G:351:THR:O 7:G:354:GLN:HG2 2.15 0.475:A:2352:ILE:O 5:A:2356:SER:N 2.46 0.471:B:2637:ILE:HA 1:B:2640:LEU:HB3 1.95 0.471:B:2839:HIS:O 1:B:2843:LEU:HG 2.15 0.471:B:3481:ASP:CB 1:B:3482:PRO:HD3 2.42 0.471:B:3658:GLU:O 1:B:3662:TYR:N 2.38 0.47

6:F:442:THR:HG21 6:F:448:ARG:HG3 1.92 0.475:A:1086:VAL:O 5:A:1090:THR:N 2.38 0.475:A:461:LYS:O 5:A:465:MET:N 2.32 0.471:B:3699:ILE:O 1:B:3702:LYS:N 2.48 0.47

1:B:3721:LEU:HG 1:B:3724:ILE:HD12 1.96 0.477:G:9:VAL:O 7:G:20:GLY:N 2.48 0.47

5:A:1201:CYS:C 5:A:1203:ASP:H 2.18 0.471:B:3065:ASP:O 1:B:3068:LEU:HG 2.14 0.47

1:B:3493:LEU:HD13 1:B:3493:LEU:O 2.14 0.473:D:4:UNK:O 3:D:8:UNK:N 2.47 0.474:H:86:ASN:O 4:H:89:PRO:N 2.47 0.47

1:B:2969:ARG:O 1:B:2969:ARG:HD3 2.15 0.471:B:3100:LEU:HD13 1:B:3101:LEU:HA 1.97 0.471:B:3731:ARG:HB3 2:C:694:TRP:HE1 1.80 0.473:D:420:UNK:C 3:D:422:UNK:N 2.77 0.47

7:G:180:LEU:HD23 7:G:184:ASP:OD2 2.14 0.477:G:359:LYS:O 7:G:362:TYR:HB3 2.15 0.475:A:31:LEU:O 5:A:35:MET:N 2.48 0.475:A:330:ILE:O 5:A:334:GLN:CB 2.63 0.47

1:B:3163:TYR:CB 1:B:3167:LEU:HB3 2.45 0.478:E:391:ILE:CA 8:E:394:TYR:HB2 2.32 0.475:A:1043:LEU:O 5:A:1046:ALA:N 2.46 0.461:B:2837:PRO:O 1:B:2840:LYS:N 2.47 0.461:B:3366:VAL:O 1:B:3367:HIS:C 2.51 0.46

1:B:3649:SER:HB2 1:B:3705:GLN:CA 2.42 0.461:B:3668:ARG:NE 1:B:3672:ILE:HD13 2.15 0.466:F:264:SER:O 6:F:265:THR:OG1 2.30 0.46





Clashoverlap (Å)

7:G:82:MET:HG3 7:G:86:TRP:CZ2 2.50 0.465:A:1036:PRO:O 5:A:1039:TYR:N 2.33 0.465:A:1345:LEU:CA 5:A:1349:MET:CB 2.92 0.465:A:2092:LEU:O 5:A:2095:ALA:HB3 2.14 0.461:B:3244:ASP:O 1:B:3247:ARG:CD 2.63 0.461:B:3740:PHE:CB 1:B:3742:PRO:CD 2.84 0.463:D:61:UNK:C 3:D:63:UNK:N 2.78 0.467:G:255:PHE:C 7:G:258:PRO:HD2 2.35 0.461:B:2651:ASN:N 1:B:2651:ASN:ND2 2.60 0.461:B:3668:ARG:NE 1:B:3672:ILE:HG21 2.29 0.461:B:3496:ALA:CB 2:C:684:TYR:CD1 2.98 0.466:F:152:ARG:HD3 6:F:407:ASN:OD1 2.15 0.465:A:1581:GLU:C 5:A:1583:LYS:H 2.17 0.465:A:981:LYS:CB 5:A:988:ASP:HA 2.44 0.464:H:183:LYS:O 4:H:186:LYS:N 2.49 0.465:A:1003:ILE:CB 5:A:1017:ALA:HB2 2.45 0.465:A:1948:VAL:O 5:A:1952:VAL:N 2.31 0.461:B:3427:ASN:N 1:B:3443:PHE:HZ 2.09 0.461:B:3464:PHE:HA 1:B:3576:LYS:HZ1 1.81 0.466:F:110:LEU:HD23 6:F:111:THR:N 2.31 0.466:F:285:ARG:HA 6:F:288:PHE:CE2 2.50 0.466:F:72:LYS:CB 6:F:72:LYS:NZ 2.73 0.467:G:14:SER:HB2 7:G:157:ASP:CB 2.45 0.467:G:286:ASP:HB2 7:G:288:ASP:CG 2.35 0.465:A:1102:LEU:O 5:A:1106:LEU:N 2.38 0.46

1:B:3107:LEU:HD12 1:B:3110:ILE:CD1 2.45 0.468:E:358:HIS:CG 8:E:359:GLN:H 2.34 0.463:D:139:UNK:O 6:F:178:LYS:HE3 2.16 0.46

6:F:241:GLU:HG3 6:F:244:GLU:OE1 2.15 0.467:G:101:HIS:O 7:G:130:PRO:HD2 2.15 0.463:D:102:UNK:C 3:D:233:UNK:HA 2.45 0.466:F:47:TYR:CD1 6:F:50:ASP:OD2 2.68 0.466:F:95:GLN:O 6:F:99:TYR:HA 2.16 0.46

7:G:277:THR:HA 7:G:280:ASN:HD22 1.81 0.467:G:286:ASP:O 7:G:290:ARG:NE 2.49 0.465:A:1868:SER:O 5:A:1872:ILE:N 2.48 0.46

1:B:2737:ALA:HB3 1:B:2746:LEU:HD11 1.98 0.461:B:3082:ILE:CB 1:B:3108:ILE:HD11 2.46 0.466:F:43:VAL:HG22 6:F:73:PRO:HA 1.97 0.465:A:1589:ASP:O 5:A:1590:SER:C 2.54 0.465:A:914:ASP:O 5:A:916:ILE:N 2.47 0.46





Clashoverlap (Å)

1:B:3242:ASP:O 1:B:3243:GLU:C 2.52 0.466:F:390:TYR:HD1 6:F:432:LEU:HD12 1.80 0.466:F:444:HIS:CE1 8:E:377:HIS:HE1 2.34 0.465:A:1041:GLU:HA 5:A:2514:VAL:CB 2.46 0.465:A:709:VAL:O 5:A:713:MET:N 2.49 0.46

1:B:3505:ASP:HA 1:B:3508:ILE:HD12 1.97 0.468:E:378:LYS:O 8:E:382:ALA:N 2.42 0.46

7:G:162:VAL:HG11 7:G:278:THR:HA 1.98 0.467:G:33:SER:CB 7:G:71:ILE:HG13 2.46 0.465:A:2334:SER:O 5:A:2338:LEU:N 2.42 0.451:B:2639:ILE:HA 1:B:2642:SER:HB3 1.98 0.451:B:3404:ALA:CA 1:B:3457:ILE:HG22 2.46 0.451:B:3555:PHE:CE1 1:B:3581:VAL:HG11 2.51 0.452:C:699:ARG:CD 2:C:699:ARG:N 2.73 0.457:G:180:LEU:HD21 7:G:269:LEU:HD21 1.97 0.457:G:140:LEU:HD11 7:G:343:GLY:CA 2.45 0.451:B:3068:LEU:CB 1:B:3078:ALA:CA 2.94 0.451:B:2957:HIS:HA 1:B:3434:VAL:CB 2.46 0.451:B:3496:ALA:HB3 1:B:3510:LYS:HZ2 1.81 0.457:G:108:ALA:HB1 7:G:109:PRO:HD3 1.96 0.457:G:309:ILE:O 7:G:313:MET:HG2 2.16 0.457:G:99:GLU:C 7:G:130:PRO:HD3 2.37 0.451:B:2675:PHE:O 1:B:2675:PHE:CG 2.69 0.456:F:10:GLY:C 6:F:12:ASP:H 2.19 0.456:F:443:GLY:O 6:F:444:HIS:HD2 1.99 0.457:G:273:GLY:N 7:G:276:GLN:HB3 2.31 0.456:F:122:LYS:HA 6:F:125:LEU:HD12 1.98 0.457:G:360:GLN:O 7:G:364:GLU:HG3 2.17 0.455:A:1091:SER:CA 5:A:1099:ALA:CA 2.90 0.455:A:967:THR:O 5:A:968:GLU:C 2.55 0.451:B:3060:TRP:O 1:B:3061:GLY:C 2.53 0.45

6:F:156:LEU:HD12 6:F:168:SER:O 2.17 0.457:G:24:ASP:HB2 7:G:340:TRP:CH2 2.46 0.451:B:3731:ARG:CB 2:C:694:TRP:HE1 2.29 0.455:A:1207:TYR:O 5:A:1208:ASN:C 2.55 0.451:B:3096:LYS:C 1:B:3097:ILE:HD13 2.35 0.45

1:B:3236:ARG:HD2 1:B:3236:ARG:HA 1.48 0.451:B:3296:PHE:O 1:B:3296:PHE:CD1 2.70 0.451:B:3437:ARG:O 1:B:3439:ARG:N 2.50 0.451:B:3555:PHE:CZ 1:B:3583:THR:HG21 2.52 0.453:D:310:UNK:O 3:D:313:UNK:N 2.49 0.45





Clashoverlap (Å)

6:F:272:SER:HB3 6:F:278:ILE:HG12 1.99 0.456:F:291:GLU:OE2 6:F:296:LYS:HB2 2.17 0.455:A:580:ILE:C 5:A:583:ALA:H 2.19 0.451:B:2874:ALA:C 1:B:2876:GLU:H 2.18 0.451:B:3467:LEU:C 1:B:3467:LEU:CD1 2.86 0.451:B:3699:ILE:O 1:B:3700:ILE:C 2.55 0.458:E:366:ALA:C 8:E:368:TRP:N 2.70 0.457:G:143:TYR:CG 8:E:391:ILE:HG21 2.51 0.456:F:216:PHE:CE2 6:F:218:LYS:HG3 2.52 0.457:G:124:PHE:HD1 7:G:359:LYS:HG2 1.82 0.455:A:1650:PHE:C 5:A:1652:ILE:N 2.70 0.455:A:1673:PHE:O 5:A:1676:MET:N 2.50 0.455:A:239:LYS:O 5:A:240:GLN:C 2.47 0.45

1:B:3424:ARG:HH21 1:B:3424:ARG:CG 2.30 0.451:B:3474:PHE:CE2 1:B:3526:VAL:CG1 2.92 0.452:C:704:ASN:CB 2:C:711:ASP:HA 2.46 0.453:D:420:UNK:O 3:D:422:UNK:N 2.50 0.456:F:406:HIS:CD2 6:F:406:HIS:O 2.70 0.456:F:175:THR:N 6:F:489[B]:ARG:HG2 2.31 0.457:G:148:THR:HB 8:E:388:ALA:HB1 1.99 0.457:G:138:ALA:CA 7:G:152:VAL:HG11 2.40 0.457:G:346:LEU:HG 7:G:352:PHE:CE2 2.52 0.455:A:592:SER:O 5:A:596:THR:N 2.38 0.451:B:2885:ARG:C 1:B:2885:ARG:CD 2.85 0.45

7:G:216:LEU:HD22 7:G:238:LYS:HD2 1.99 0.457:G:271:SER:OG 7:G:272:ALA:N 2.50 0.451:B:2821:ILE:HA 1:B:2849:TYR:CZ 2.52 0.441:B:3015:GLY:C 1:B:3019:LYS:HB3 2.38 0.441:B:3159:ILE:O 1:B:3163:TYR:CB 2.65 0.441:B:3358:TYR:O 1:B:3358:TYR:CG 2.70 0.44

1:B:3100:LEU:HD13 1:B:3101:LEU:H 1.67 0.441:B:3316:TYR:CD1 1:B:3316:TYR:O 2.70 0.441:B:3592:PRO:CB 1:B:3671:ILE:HB 2.47 0.441:B:3649:SER:CB 1:B:3705:GLN:CA 2.82 0.443:D:373:UNK:H 8:E:379:TYR:HE1 1.57 0.443:D:38:UNK:O 3:D:39:UNK:C 2.65 0.44

6:F:253:LYS:HB3 6:F:256:GLU:HG2 1.98 0.446:F:204:ILE:HD12 6:F:274:TRP:CD2 2.52 0.44

7:G:73:HIS:N 7:G:73:HIS:ND1 2.64 0.447:G:81:ASP:O 7:G:84:LYS:N 2.51 0.445:A:119:MET:O 5:A:123:THR:N 2.46 0.44





Clashoverlap (Å)

5:A:302:THR:C 5:A:304:PHE:N 2.71 0.441:B:2874:ALA:C 1:B:2876:GLU:N 2.71 0.44

1:B:2898:TRP:CE3 1:B:2898:TRP:O 2.70 0.443:D:384:UNK:O 3:D:386:UNK:N 2.50 0.44

6:F:127:VAL:HG12 6:F:128:LEU:HD23 1.99 0.441:B:2844:HIS:C 1:B:2846:PHE:N 2.70 0.441:B:3504:PRO:O 1:B:3508:ILE:HG13 2.18 0.441:B:3617:ASN:O 1:B:3618:GLU:C 2.55 0.446:F:475:TYR:CD1 6:F:475:TYR:C 2.85 0.445:A:2549:PHE:HZ 5:A:2556:ILE:HA 1.82 0.44

1:B:2651:ASN:HD22 1:B:2651:ASN:N 2.13 0.441:B:3439:ARG:HG3 1:B:3441:ILE:HG12 2.00 0.441:B:3424:ARG:HH11 1:B:3447:ILE:HA 1.65 0.44

1:B:3570:HIS:O 1:B:3570:HIS:CG 2.70 0.446:F:258:THR:HA 6:F:261:GLU:HG2 1.99 0.447:G:187:ASP:OD1 7:G:206:ARG:NH1 2.51 0.447:G:210:ARG:O 7:G:213:LYS:HB3 2.17 0.444:H:183:LYS:O 4:H:184:LEU:C 2.56 0.445:A:1207:TYR:O 5:A:1210:ARG:N 2.51 0.44

1:B:3172:ARG:NH2 1:B:3173:THR:HA 2.32 0.441:B:3106:TRP:CB 1:B:3665:LEU:CD1 2.81 0.446:F:400:LEU:O 6:F:404:LEU:HG 2.18 0.446:F:57:PHE:CE1 6:F:89:GLN:HB2 2.53 0.447:G:230:ALA:CB 7:G:252:ASN:HB3 2.47 0.447:G:117:GLU:HG2 7:G:367:PRO:O 2.17 0.445:A:1605:ASN:C 5:A:1607:VAL:N 2.71 0.445:A:1859:LEU:C 5:A:1861:ARG:H 2.20 0.442:C:688:ILE:HA 2:C:691:ARG:HE 1.82 0.446:F:18:VAL:O 6:F:28:ILE:HG23 2.18 0.446:F:406:HIS:CG 6:F:406:HIS:O 2.70 0.447:G:16:MET:H 7:G:16:MET:HE1 1.74 0.447:G:24:ASP:HB3 7:G:26:ALA:H 1.83 0.441:B:2675:PHE:O 1:B:2675:PHE:CD1 2.71 0.441:B:2843:LEU:O 1:B:2846:PHE:N 2.39 0.442:C:732:GLN:O 2:C:734:GLN:N 2.50 0.445:A:2389:SER:O 5:A:2391:SER:N 2.50 0.44

1:B:3068:LEU:HD12 1:B:3068:LEU:C 2.39 0.441:B:3358:TYR:O 1:B:3358:TYR:CD2 2.71 0.44

1:B:3247:ARG:HH11 1:B:3407:TYR:CB 2.29 0.442:C:691:ARG:HG3 2:C:692:THR:N 2.33 0.448:E:364:GLU:O 8:E:368:TRP:HD1 2.01 0.44





Clashoverlap (Å)

6:F:186:ALA:O 6:F:189:PHE:N 2.49 0.446:F:484:LEU:HA 6:F:487:ARG:HH11 1.82 0.447:G:35:VAL:N 7:G:68:ARG:O 2.43 0.44

5:A:1038:ASN:O 5:A:1041:GLU:N 2.52 0.435:A:1653:SER:O 5:A:1654:ASN:C 2.56 0.431:B:3015:GLY:CA 1:B:3019:LYS:HB3 2.48 0.431:B:3570:HIS:O 1:B:3570:HIS:CD2 2.70 0.438:E:375:GLU:O 8:E:378:LYS:N 2.51 0.436:F:267:LYS:HA 6:F:282:ASN:HD21 1.83 0.435:A:2243:ILE:CB 5:A:2252:SER:CA 2.94 0.436:F:390:TYR:CD1 6:F:432:LEU:HD12 2.53 0.437:G:257:ALA:HB3 7:G:258:PRO:HD3 2.00 0.434:H:193:LEU:O 4:H:196:LEU:N 2.46 0.435:A:838:LEU:O 5:A:842:LEU:N 2.49 0.431:B:3552:TYR:O 1:B:3552:TYR:CD1 2.70 0.432:C:712:LEU:O 2:C:716:ARG:CB 2.66 0.43

7:G:253:GLU:HG2 7:G:256:ARG:HD3 2.00 0.437:G:326:LYS:HE3 7:G:328:LYS:HD2 2.01 0.431:B:3070:GLU:OE1 1:B:3070:GLU:HA 2.18 0.431:B:3451:LEU:CD1 1:B:3451:LEU:N 2.73 0.432:C:670:GLU:O 2:C:674:ALA:N 2.37 0.433:D:150:UNK:O 3:D:152:UNK:N 2.51 0.436:F:177:SER:HA 6:F:180:THR:HG23 2.00 0.436:F:244:GLU:HB3 7:G:287:VAL:HG11 1.99 0.437:G:130:PRO:HA 7:G:359:LYS:HZ3 1.83 0.437:G:140:LEU:CD1 7:G:343:GLY:CA 2.96 0.437:G:18:LYS:HE3 7:G:337:TYR:CD1 2.53 0.435:A:1044:LYS:O 5:A:1046:ALA:N 2.52 0.435:A:1044:LYS:C 5:A:1046:ALA:H 2.22 0.435:A:1255:ALA:O 5:A:1256:ILE:C 2.56 0.431:B:3085:TYR:CB 1:B:3104:ILE:HD13 2.48 0.431:B:3253:LEU:CD1 1:B:3318:ARG:HB2 2.45 0.431:B:3411:ARG:O 1:B:3415:ARG:CB 2.66 0.431:B:3546:LYS:NZ 1:B:3550:SER:HB2 2.34 0.432:C:649:ILE:O 2:C:652:SER:N 2.51 0.433:D:79:UNK:C 3:D:80:UNK:O 2.59 0.436:F:82:ASP:OD2 6:F:85:THR:OG1 2.34 0.437:G:137:GLN:HG3 7:G:339:VAL:CG1 2.48 0.437:G:223:PHE:HD1 7:G:259:GLU:HG3 1.84 0.435:A:2526:HIS:O 5:A:2530:MET:N 2.51 0.433:D:11:UNK:C 3:D:13:UNK:N 2.82 0.43





Clashoverlap (Å)

8:E:377:HIS:O 8:E:381:VAL:HG23 2.19 0.436:F:180:THR:O 6:F:181:ARG:NH1 2.42 0.43

1:B:2898:TRP:CZ3 1:B:2902:VAL:HG21 2.53 0.431:B:3108:ILE:HA 1:B:3108:ILE:HD12 1.74 0.431:B:3443:PHE:N 1:B:3443:PHE:CD1 2.73 0.43

1:B:3733:LEU:HD21 1:B:3742:PRO:HG2 2.00 0.436:F:94:LEU:O 6:F:99:TYR:N 2.52 0.43

7:G:253:GLU:HA 7:G:256:ARG:HB2 2.00 0.431:B:3488:PHE:CE1 1:B:3492:LYS:HG2 2.54 0.431:B:3493:LEU:CD1 1:B:3493:LEU:C 2.86 0.432:C:679:ARG:C 2:C:681:THR:H 2.22 0.43

6:F:413:GLY:HA3 6:F:449:GLN:NE2 2.33 0.436:F:48:THR:C 6:F:50:ASP:N 2.71 0.43

7:G:107:GLU:HB2 7:G:111:ASN:ND2 2.32 0.435:A:1988:PHE:O 5:A:1991:SER:N 2.42 0.435:A:2168:LEU:O 5:A:2172:PHE:N 2.49 0.431:B:3668:ARG:O 1:B:3671:ILE:HG13 2.18 0.436:F:128:LEU:HD13 6:F:134:PHE:CD2 2.53 0.436:F:302:ALA:C 6:F:304:TRP:H 2.22 0.436:F:416:SER:HA 6:F:448:ARG:NH1 2.34 0.436:F:462:LEU:HA 6:F:462:LEU:HD23 1.84 0.435:A:1417:LYS:O 5:A:1421:ILE:N 2.51 0.43

5:A:1986:TYR:HA 5:A:1989:LEU:CB 2.49 0.431:B:2898:TRP:HE3 1:B:2898:TRP:O 2.00 0.431:B:2947:ILE:CB 1:B:2970:ILE:HD12 2.49 0.431:B:3394:ARG:CA 1:B:3398:GLY:HA2 2.49 0.436:F:440:LEU:HD13 6:F:440:LEU:HA 1.75 0.437:G:116:ARG:HG2 7:G:370:VAL:HG21 2.01 0.435:A:21:LEU:O 5:A:25:TYR:N 2.44 0.42

1:B:3062:PHE:CZ 1:B:3658:GLU:HA 2.50 0.426:F:116:ASN:OD1 6:F:120:ASN:HB2 2.19 0.426:F:40:LEU:HB3 6:F:89:GLN:HE21 1.84 0.427:G:103:VAL:O 7:G:132:PHE:HD1 2.02 0.427:G:151:ILE:CG2 7:G:297:ILE:CG1 2.95 0.426:F:10:GLY:HA2 6:F:463:GLY:N 2.34 0.426:F:272:SER:HB3 6:F:278:ILE:CG1 2.49 0.421:B:2966:GLN:HA 1:B:2966:GLN:OE1 2.19 0.421:B:3493:LEU:CD1 1:B:3497:HIS:HB2 2.49 0.427:G:70:PRO:HG2 7:G:85:ILE:HD11 2.01 0.421:B:2844:HIS:HA 1:B:2847:GLN:CB 2.47 0.421:B:3168:HIS:ND1 1:B:3168:HIS:C 2.73 0.42





Clashoverlap (Å)

1:B:3296:PHE:C 1:B:3296:PHE:CD1 2.92 0.421:B:3667:ILE:HG21 1:B:3696:VAL:CB 2.49 0.426:F:56:ILE:HD12 6:F:56:ILE:HA 1.68 0.426:F:87:GLN:O 6:F:132:MET:HE1 2.11 0.42

7:G:105:LEU:HD13 7:G:132:PHE:CE1 2.54 0.427:G:255:PHE:O 7:G:259:GLU:HG2 2.19 0.425:A:1249:GLN:C 5:A:1251:GLU:H 2.14 0.425:A:1581:GLU:O 5:A:1585:ARG:N 2.53 0.425:A:369:TYR:O 5:A:372:ASP:N 2.52 0.421:B:2648:SER:O 1:B:2649:ILE:CB 2.68 0.426:F:238:PHE:HZ 6:F:278:ILE:HG21 1.85 0.427:G:102:PRO:HA 7:G:131:ALA:O 2.20 0.426:F:2:SER:HB2 7:G:371:HIS:O 2.19 0.421:B:2761:GLU:O 1:B:2765:ARG:N 2.52 0.421:B:3163:TYR:CB 1:B:3167:LEU:CB 2.98 0.421:B:3247:ARG:O 1:B:3251:VAL:HG23 2.18 0.421:B:3418:ARG:HA 1:B:3418:ARG:HD3 1.26 0.421:B:3462:VAL:O 1:B:3464:PHE:CG 2.72 0.422:C:691:ARG:O 2:C:695:GLN:HG3 2.20 0.424:H:223:ASP:O 4:H:227:GLU:N 2.44 0.425:A:1345:LEU:O 5:A:1349:MET:CB 2.67 0.421:B:2635:GLN:N 1:B:2635:GLN:CD 2.72 0.42

1:B:2885:ARG:HD3 1:B:2886:ASP:N 2.34 0.421:B:3512:GLU:O 1:B:3515:ASN:HB3 2.19 0.421:B:3724:ILE:O 1:B:3727:ALA:N 2.50 0.422:C:649:ILE:O 2:C:653:GLU:N 2.49 0.423:D:424:UNK:O 3:D:425:UNK:C 2.67 0.426:F:175:THR:O 6:F:489[B]:ARG:NH2 2.48 0.426:F:243:LYS:HG2 6:F:247:CYS:SG 2.59 0.426:F:287:GLY:HA2 6:F:290:GLU:HB3 2.01 0.426:F:437:PHE:N 6:F:437:PHE:CD1 2.86 0.427:G:174:ALA:O 7:G:281:SER:OG 2.34 0.42

7:G:230:ALA:HB2 7:G:252:ASN:HB3 2.02 0.426:F:484:LEU:O 6:F:487:ARG:HG2 2.19 0.426:F:62:ILE:HG12 6:F:71:LEU:CD2 2.49 0.427:G:355:MET:HA 7:G:373:LYS:NZ 2.34 0.424:H:186:LYS:O 4:H:190:ASP:N 2.51 0.42

1:B:3101:LEU:CD1 1:B:3101:LEU:C 2.86 0.421:B:3360:LEU:CB 1:B:3424:ARG:HG2 2.50 0.426:F:19:ILE:HA 6:F:28:ILE:HG12 2.02 0.426:F:213:LYS:CE 6:F:213:LYS:CA 2.86 0.42





Clashoverlap (Å)

5:A:2180:ILE:O 5:A:2184:LEU:N 2.52 0.421:B:3106:TRP:CH2 1:B:3668:ARG:CZ 3.00 0.421:B:3492:LYS:O 1:B:3510:LYS:HE2 2.20 0.426:F:30:TYR:HB2 7:G:113:LYS:HE3 2.02 0.423:D:396:UNK:CA 6:F:436:LYS:HE3 2.48 0.427:G:133:TYR:CZ 7:G:374:CYS:HA 2.54 0.421:B:2778:GLN:O 1:B:2782:SER:N 2.30 0.411:B:3719:PHE:HA 1:B:3722:ASP:CB 2.49 0.411:B:3720:ILE:O 1:B:3723:CYS:N 2.52 0.41

6:F:164:THR:HG22 6:F:184:PHE:CD1 2.54 0.417:G:109:PRO:CD 7:G:161:HIS:CD2 3.03 0.417:G:163:VAL:HA 7:G:164:PRO:HD3 1.65 0.415:A:1300:ASN:C 5:A:1302:LYS:N 2.56 0.411:B:3229:LEU:C 1:B:3229:LEU:CD1 2.85 0.411:B:3354:ILE:CA 1:B:3371:ILE:H 2.22 0.411:B:3540:ASP:HA 1:B:3543:LEU:HD13 2.02 0.416:F:151:GLY:N 8:E:370:GLN:OE1 2.53 0.416:F:213:LYS:CG 6:F:214:PRO:HD3 2.50 0.417:G:151:ILE:HD12 7:G:152:VAL:N 2.36 0.417:G:180:LEU:HD21 7:G:269:LEU:HD11 2.01 0.417:G:149:THR:HG21 7:G:292:GLU:OE1 2.19 0.415:A:1673:PHE:O 5:A:1674:ASN:C 2.58 0.415:A:580:ILE:HA 5:A:583:ALA:HB3 2.01 0.412:C:694:TRP:HA 2:C:697:PHE:CD2 2.53 0.418:E:361:ILE:HA 8:E:364:GLU:CD 2.41 0.416:F:122:LYS:HA 6:F:125:LEU:CD1 2.50 0.41

1:B:3068:LEU:HB3 1:B:3078:ALA:CB 2.44 0.411:B:2690:ILE:C 1:B:3715:VAL:CB 2.89 0.41

6:F:110:LEU:HD13 6:F:124:SER:HB3 2.01 0.417:G:190:MET:SD 7:G:206:ARG:NE 2.93 0.414:H:59:LEU:O 4:H:63:ARG:N 2.54 0.415:A:1222:ASN:O 5:A:1223:VAL:C 2.58 0.415:A:1581:GLU:C 5:A:1583:LYS:N 2.74 0.415:A:2036:LEU:O 5:A:2037:TYR:C 2.59 0.415:A:635:LYS:O 5:A:636:ASP:C 2.58 0.41

1:B:2663:LEU:HD21 1:B:2678:LEU:CB 2.50 0.411:B:3553:SER:O 1:B:3555:PHE:N 2.54 0.416:F:213:LYS:HG3 6:F:214:PRO:HD3 2.02 0.416:F:71:LEU:CD1 6:F:229:LEU:HA 2.50 0.416:F:434:SER:O 6:F:435:LEU:HD12 2.20 0.416:F:487:ARG:HA 6:F:487:ARG:NE 2.36 0.41





Clashoverlap (Å)

6:F:6:LEU:HD23 6:F:6:LEU:HA 1.84 0.411:B:2634:TYR:H 1:B:2634:TYR:HD1 1.66 0.41

1:B:3316:TYR:CD1 1:B:3316:TYR:C 2.90 0.411:B:3418:ARG:HB2 1:B:3418:ARG:NH1 2.24 0.411:B:3663:LEU:O 1:B:3667:ILE:HG23 2.20 0.41

2:C:701:VAL:HG13 2:C:711:ASP:CB 2.51 0.418:E:390:ALA:HB1 8:E:394:TYR:CE2 2.55 0.417:G:8:LEU:HD13 7:G:10:ILE:HD11 2.03 0.417:G:18:LYS:HA 7:G:30:VAL:HA 2.02 0.416:F:61:SER:OG 7:G:270:GLU:O 2.25 0.41

7:G:351:THR:HG22 7:G:354:GLN:NE2 2.36 0.415:A:1286:GLU:O 5:A:1290:THR:N 2.34 0.411:B:3249:ILE:O 1:B:3253:LEU:HG 2.21 0.411:B:3492:LYS:O 1:B:3510:LYS:CE 2.68 0.416:F:105:GLY:O 6:F:106:ILE:HD13 2.21 0.417:G:18:LYS:HB3 7:G:30:VAL:HG22 2.02 0.415:A:566:TYR:C 5:A:568:PRO:N 2.73 0.411:B:2654:ILE:HA 1:B:2654:ILE:HD12 1.81 0.411:B:3220:PRO:C 1:B:3222:LEU:H 2.24 0.416:F:304:TRP:O 6:F:306:ARG:HG3 2.21 0.41

7:G:163:VAL:HG22 7:G:175:ILE:HG13 1.67 0.411:B:3068:LEU:HD22 1:B:3078:ALA:O 2.20 0.411:B:3464:PHE:CD2 1:B:3575:ASP:CB 3.04 0.411:B:3666:PHE:O 1:B:3669:ASP:N 2.54 0.413:D:442:UNK:O 3:D:443:UNK:C 2.69 0.418:E:361:ILE:HA 8:E:364:GLU:OE1 2.21 0.418:E:384:CYS:O 8:E:387:MET:HB2 2.20 0.41

7:G:124:PHE:CD1 7:G:359:LYS:HG2 2.56 0.417:G:149:THR:HG22 7:G:150:GLY:N 2.36 0.415:A:1044:LYS:O 5:A:1045:THR:C 2.58 0.415:A:1262:LYS:O 5:A:1265:ILE:N 2.54 0.415:A:137:LEU:O 5:A:140:PHE:N 2.51 0.416:F:397:ASP:O 6:F:401:ARG:HG3 2.21 0.41

1:B:2849:TYR:HA 1:B:2852:PHE:CB 2.50 0.411:B:3078:ALA:O 1:B:3081:ALA:HB3 2.21 0.411:B:3360:LEU:CB 1:B:3424:ARG:CG 2.99 0.411:B:3551:GLN:HA 1:B:3554:SER:HG 1.86 0.413:D:418:UNK:C 3:D:420:UNK:N 2.83 0.417:G:9:VAL:HG12 7:G:340:TRP:CD1 2.55 0.415:A:996:GLY:C 5:A:998:GLN:N 2.73 0.401:B:3038:GLU:N 1:B:3038:GLU:CD 2.73 0.40





Clashoverlap (Å)

1:B:3236:ARG:CD 1:B:3338:CYS:CB 2.95 0.405:A:890:TYR:O 5:A:892:ASP:N 2.54 0.40

1:B:3435:GLU:CD 1:B:3435:GLU:N 2.73 0.406:F:23:SER:HB3 6:F:163:ASP:H 1.85 0.406:F:463:GLY:O 6:F:466:HIS:HD2 2.04 0.406:F:94:LEU:HA 6:F:98:LEU:HB2 2.02 0.407:G:27:PRO:HA 7:G:340:TRP:CZ2 2.56 0.405:A:1295:GLU:O 5:A:1356:ALA:CB 2.68 0.401:B:3136:PHE:O 1:B:3141:LEU:N 2.54 0.401:B:3733:LEU:O 1:B:3733:LEU:HD23 2.21 0.405:A:2517:LEU:O 5:A:2519:LEU:N 2.54 0.401:B:2941:HIS:C 1:B:2943:ILE:N 2.74 0.401:B:3391:LEU:C 1:B:3402:SER:CB 2.87 0.401:B:3559:SER:HG 1:B:3560:TYR:H 1.67 0.406:F:466:HIS:CG 6:F:467:GLN:N 2.90 0.407:G:310:ALA:O 7:G:314:GLN:N 2.36 0.405:A:1103:LEU:C 5:A:1105:ASN:N 2.74 0.401:B:2819:GLU:C 1:B:2821:ILE:N 2.75 0.40

1:B:3071:GLU:HG2 1:B:3071:GLU:O 2.21 0.401:B:3486:GLN:C 1:B:3486:GLN:NE2 2.73 0.40

1:B:3544:PHE:CE1 1:B:3579:GLY:HA2 2.52 0.401:B:3661:THR:HA 1:B:3664:ALA:HB2 2.04 0.401:B:3668:ARG:O 1:B:3671:ILE:N 2.52 0.407:G:103:VAL:O 7:G:356:TRP:HZ3 2.05 0.404:H:183:LYS:O 4:H:185:LEU:N 2.54 0.40

There are no symmetry-related clashes.

5.3 Torsion angles i○

5.3.1 Protein backbone i○

In the following table, the Percentiles column shows the percent Ramachandran outliers of thechain as a percentile score with respect to all PDB entries followed by that with respect to all EMentries.

The Analysed column shows the number of residues for which the backbone conformation wasanalysed, and the total number of residues.

Mol Chain Analysed Favoured Allowed Outliers Percentiles

1 B 935/1115 (84%) 658 (70%) 205 (22%) 72 (8%) 1 15Continued on next page...

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#torsion_angles

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#protein_backbone


Continued from previous page...Mol Chain Analysed Favoured Allowed Outliers Percentiles

2 C 136/336 (40%) 99 (73%) 24 (18%) 13 (10%) 0 11

4 H 136/279 (49%) 120 (88%) 14 (10%) 2 (2%) 10 46

5 A 1857/2627 (71%) 1494 (80%) 251 (14%) 112 (6%) 1 19

6 F 417/490 (85%) 350 (84%) 62 (15%) 5 (1%) 13 50

7 G 345/375 (92%) 311 (90%) 32 (9%) 2 (1%) 25 65

8 E 39/41 (95%) 29 (74%) 10 (26%) 0 100 100

All All 3865/5263 (73%) 3061 (79%) 598 (16%) 206 (5%) 3 21

All (206) Ramachandran outliers are listed below:

Mol Chain Res Type1 B 2649 ILE1 B 2652 THR1 B 2787 PRO1 B 2788 THR1 B 3056 ALA1 B 3117 LEU1 B 3164 PRO1 B 3223 ALA1 B 3242 ASP1 B 3293 ARG1 B 3367 HIS1 B 3401 HIS1 B 3407 TYR1 B 3453 PRO1 B 3463 SER1 B 3480 PHE1 B 3481 ASP1 B 3552 TYR1 B 3592 PRO1 B 3598 PRO1 B 3657 ASN1 B 3704 ALA1 B 3742 PRO2 C 674 ALA2 C 678 HIS2 C 714 GLY2 C 715 PRO2 C 716 ARG2 C 739 SER



Continued from previous page...Mol Chain Res Type2 C 740 PRO5 A 138 ASP5 A 218 MET5 A 231 MET5 A 240 GLN5 A 245 SER5 A 303 SER5 A 411 ILE5 A 425 GLU5 A 431 VAL5 A 517 PHE5 A 567 ALA5 A 777 PRO5 A 866 PRO5 A 924 VAL5 A 958 GLN5 A 962 PRO5 A 963 PRO5 A 968 GLU5 A 970 THR5 A 973 ASP5 A 977 ILE5 A 994 THR5 A 997 ILE5 A 1035 PHE5 A 1069 LYS5 A 1094 GLU5 A 1098 ASP5 A 1153 LEU5 A 1158 PRO5 A 1223 VAL5 A 1250 SER5 A 1293 VAL5 A 1301 PRO5 A 1346 PRO5 A 1362 SER5 A 1364 PRO5 A 1373 GLU5 A 1507 LEU5 A 1591 PRO5 A 1605 ASN5 A 1630 ARG



Continued from previous page...Mol Chain Res Type5 A 1651 TYR5 A 1860 PHE5 A 2369 VAL5 A 2419 PRO5 A 2497 PRO5 A 2506 GLU5 A 2568 TYR5 A 2572 PRO6 F 49 ALA6 F 213 LYS6 F 445 THR7 G 16 MET1 B 2997 ASN1 B 3368 PHE1 B 3388 TYR1 B 3394 ARG1 B 3403 PHE1 B 3455 VAL1 B 3568 THR1 B 3595 ARG5 A 572 LEU5 A 959 PHE5 A 976 ALA5 A 980 PHE5 A 1011 ILE5 A 1033 ALA5 A 1037 THR5 A 1091 SER5 A 1295 GLU5 A 1653 SER5 A 2384 ILE5 A 2401 LEU5 A 2491 ILE1 B 2823 LEU1 B 3115 GLY1 B 3149 ALA1 B 3150 ASN1 B 3366 VAL1 B 3482 PRO1 B 3590 ARG1 B 3599 LEU1 B 3619 PRO



Continued from previous page...Mol Chain Res Type1 B 3707 GLY1 B 3709 LEU1 B 3717 THR1 B 3737 ASP1 B 3743 TRP2 C 680 LEU2 C 718 HIS2 C 719 SER4 H 131 MET5 A 389 PRO5 A 426 SER5 A 889 GLN5 A 967 THR5 A 995 PRO5 A 1070 ARG5 A 1104 ASN5 A 1204 GLU5 A 1225 SER5 A 1229 PHE5 A 1302 LYS5 A 1335 SER5 A 1606 PRO5 A 1615 MET5 A 1895 LYS5 A 2226 ILE5 A 2518 GLU6 F 405 ALA1 B 2647 THR1 B 2958 ASN1 B 2962 VAL1 B 3291 TYR1 B 3356 GLY1 B 3409 ALA1 B 3410 VAL1 B 3462 VAL1 B 3706 LEU1 B 3741 MET2 C 679 ARG2 C 690 ARG4 H 129 ILE5 A 833 PRO5 A 978 ALA



Continued from previous page...Mol Chain Res Type5 A 983 ASN5 A 986 PRO5 A 1006 SER5 A 1095 LEU5 A 1105 ASN5 A 1207 TYR5 A 1898 ASP5 A 2612 LYS6 F 70 GLU1 B 2671 GLU1 B 2942 GLU1 B 2961 ASP1 B 3054 ALA1 B 3165 GLN1 B 3219 TYR1 B 3618 GLU5 A 637 LEU5 A 1067 VAL5 A 1203 ASP5 A 1321 PRO5 A 1650 PHE5 A 1894 ILE5 A 2390 LEU5 A 2557 HIS5 A 2570 SER1 B 2789 PRO1 B 3344 PHE1 B 3602 ASN1 B 3625 THR1 B 3627 ASN2 C 675 HIS5 A 246 LEU5 A 314 ALA5 A 890 TYR5 A 991 LEU5 A 1051 LYS5 A 1583 LYS5 A 1596 LEU5 A 1647 PHE5 A 1897 GLU1 B 2902 VAL1 B 3400 VAL



Continued from previous page...Mol Chain Res Type5 A 776 PHE5 A 993 VAL5 A 1036 PRO1 B 3393 ILE1 B 3612 PRO1 B 3381 VAL5 A 1256 ILE7 G 287 VAL5 A 982 ILE

5.3.2 Protein sidechains i○

In the following table, the Percentiles column shows the percent sidechain outliers of the chainas a percentile score with respect to all PDB entries followed by that with respect to all EMentries.

The Analysed column shows the number of residues for which the sidechain conformation wasanalysed, and the total number of residues.

Mol Chain Analysed Rotameric Outliers Percentiles

1 B 300/1012 (30%) 198 (66%) 102 (34%) 0 1

2 C 26/309 (8%) 10 (38%) 16 (62%) 0 0

5 A 7/2438 (0%) 5 (71%) 2 (29%) 0 3

6 F 372/435 (86%) 360 (97%) 12 (3%) 39 62

7 G 297/320 (93%) 284 (96%) 13 (4%) 28 54

8 E 34/34 (100%) 33 (97%) 1 (3%) 42 64

All All 1036/4548 (23%) 890 (86%) 146 (14%) 6 18

All (146) residues with a non-rotameric sidechain are listed below:

Mol Chain Res Type1 B 2636 SER1 B 2637 ILE1 B 2639 ILE1 B 2651 ASN1 B 2652 THR1 B 2654 ILE1 B 2655 ILE1 B 2663 LEU1 B 2665 LEU


https://www.wwpdb.org/validation/2017/EMValidationReportHelp#protein_sidechains


Continued from previous page...Mol Chain Res Type1 B 2674 MET1 B 2826 ILE1 B 2847 GLN1 B 2856 THR1 B 2882 GLN1 B 2885 ARG1 B 2894 ASP1 B 2896 ASN1 B 2897 MET1 B 2898 TRP1 B 2899 ASN1 B 2900 ASP1 B 2902 VAL1 B 2906 GLN1 B 2912 ILE1 B 2941 HIS1 B 2946 VAL1 B 2952 HIS1 B 2965 SER1 B 2966 GLN1 B 2967 LEU1 B 2970 ILE1 B 2971 TYR1 B 3007 SER1 B 3019 LYS1 B 3023 PHE1 B 3038 GLU1 B 3041 GLN1 B 3059 GLN1 B 3062 PHE1 B 3066 ARG1 B 3067 ARG1 B 3069 SER1 B 3095 SER1 B 3097 ILE1 B 3099 GLU1 B 3100 LEU1 B 3104 ILE1 B 3105 LEU1 B 3107 LEU1 B 3108 ILE1 B 3111 ASP



Continued from previous page...Mol Chain Res Type1 B 3143 SER1 B 3145 SER1 B 3162 SER1 B 3167 LEU1 B 3168 HIS1 B 3169 PHE1 B 3171 LEU1 B 3172 ARG1 B 3219 TYR1 B 3229 LEU1 B 3236 ARG1 B 3247 ARG1 B 3317 TRP1 B 3318 ARG1 B 3367 HIS1 B 3411 ARG1 B 3417 GLU1 B 3418 ARG1 B 3421 GLN1 B 3422 LEU1 B 3424 ARG1 B 3427 ASN1 B 3432 LYS1 B 3435 GLU1 B 3440 SER1 B 3443 PHE1 B 3444 ASN1 B 3449 ILE1 B 3462 VAL1 B 3467 LEU1 B 3468 HIS1 B 3472 ASN1 B 3474 PHE1 B 3484 ASP1 B 3485 ILE1 B 3486 GLN1 B 3487 ASP1 B 3488 PHE1 B 3489 MET1 B 3492 LYS1 B 3494 ASN1 B 3499 ASP



Continued from previous page...Mol Chain Res Type1 B 3552 TYR1 B 3568 THR1 B 3570 HIS1 B 3571 LYS1 B 3611 SER1 B 3647 THR1 B 3652 LEU1 B 3668 ARG1 B 3674 TRP2 C 680 LEU2 C 681 THR2 C 684 TYR2 C 685 LEU2 C 687 ASN2 C 688 ILE2 C 689 GLU2 C 694 TRP2 C 695 GLN2 C 696 CYS2 C 697 PHE2 C 699 ARG2 C 702 GLN2 C 703 LEU2 C 706 ARG2 C 707 PHE5 A 948 ILE5 A 1896 LEU6 F 47 TYR6 F 56 ILE6 F 66 ARG6 F 67 LYS6 F 70 GLU6 F 72 LYS6 F 125 LEU6 F 128 LEU6 F 137 CYS6 F 213 LYS6 F 440 LEU6 F 442 THR7 G 16 MET7 G 71 ILE7 G 73 HIS



Continued from previous page...Mol Chain Res Type7 G 135 SER7 G 136 ILE7 G 137 GLN7 G 139 VAL7 G 151 ILE7 G 152 VAL7 G 153 LEU7 G 159 VAL7 G 163 VAL7 G 288 ASP8 E 394 TYR

Sometimes sidechains can be flipped to improve hydrogen bonding and reduce clashes. All (26)such sidechains are listed below:

Mol Chain Res Type1 B 2752 HIS1 B 2941 HIS1 B 3041 GLN1 B 3367 HIS1 B 3427 ASN1 B 3444 ASN1 B 3486 GLN1 B 3494 ASN1 B 3497 HIS1 B 3515 ASN1 B 3570 HIS1 B 3732 ASN2 C 687 ASN6 F 89 GLN6 F 91 GLN6 F 96 ASN6 F 120 ASN6 F 162 HIS6 F 234 ASN6 F 248 HIS6 F 406 HIS6 F 444 HIS6 F 449 GLN7 G 115 ASN7 G 280 ASN8 E 377 HIS


5.3.3 RNA i○

There are no RNA molecules in this entry.

5.4 Non-standard residues in protein, DNA, RNA chains i○

There are no non-standard protein/DNA/RNA residues in this entry.

5.5 Carbohydrates i○

There are no monosaccharides in this entry.

5.6 Ligand geometry i○

There are no ligands in this entry.

5.7 Other polymers i○

There are no such residues in this entry.

5.8 Polymer linkage issues i○

There are no chain breaks in this entry.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#rna

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#nonstandard_residues_and_ligands




https://www.wwpdb.org/validation/2017/EMValidationReportHelp#polymer_linkage


6 Map visualisation i○

This section contains visualisations of the EMDB entry EMD-6816. These allow visual inspectionof the internal detail of the map and identification of artifacts.

No raw map or half-maps were deposited for this entry and therefore no images, graphs, etc.pertaining to the raw map can be shown.

6.1 Orthogonal projections i○

6.1.1 Primary map

X Y Z

The images above show the map projected in three orthogonal directions.

6.2 Central slices i○

6.2.1 Primary map

X Index: 144 Y Index: 144 Z Index: 144

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#map_visualisation

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#orthogonal_projections

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#central_slices


The images above show central slices of the map in three orthogonal directions.

6.3 Largest variance slices i○

6.3.1 Primary map

X Index: 158 Y Index: 153 Z Index: 160

The images above show the largest variance slices of the map in three orthogonal directions.

6.4 Orthogonal surface views i○

6.4.1 Primary map

X Y Z

The images above show the 3D surface view of the map at the recommended contour level 0.0225.These images, in conjunction with the slice images, may facilitate assessment of whether an ap-propriate contour level has been provided.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#largest_variance_slices

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#orthogonal_views


6.5 Mask visualisation i○

This section was not generated. No masks/segmentation were deposited.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#masks


7 Map analysis i○

This section contains the results of statistical analysis of the map.

7.1 Map-value distribution i○

The map-value distribution is plotted in 128 intervals along the x-axis. The y-axis is logarithmic.A spike in this graph at zero usually indicates that the volume has been masked.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#map_analysis

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#map_value_distribution


7.2 Volume estimate i○

The volume at the recommended contour level is 378 nm3; this corresponds to an approximatemass of 341 kDa.

The volume estimate graph shows how the enclosed volume varies with the contour level. Therecommended contour level is shown as a vertical line and the intersection between the line andthe curve gives the volume of the enclosed surface at the given level.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#volume_estimate


7.3 Rotationally averaged power spectrum i○

*Reported resolution corresponds to spatial frequency of 0.213 Å−1

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#raps


8 Fourier-Shell correlation i○

This section was not generated. No FSC curve or half-maps provided.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#fsc_validation


9 Map-model fit i○

This section contains information regarding the fit between EMDB map EMD-6816 and PDBmodel 5Y81. Per-residue inclusion information can be found in section 3 on page 5.

9.1 Map-model overlay i○

X Y Z

The images above show the 3D surface view of the map at the recommended contour level 0.0225at 50% transparency in yellow overlaid with a ribbon representation of the model coloured in blue.These images allow for the visual assessment of the quality of fit between the atomic model andthe map.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#map_model_fit

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#map_model_overlay


9.2 Atom inclusion i○

At the recommended contour level, 96% of all backbone atoms, 85% of all non-hydrogen atoms,are inside the map.

https://www.wwpdb.org/validation/2017/EMValidationReportHelp#atom_inclusion_by_contour

Documents

Full wwPDB EM Validation Report i - RCSBFull wwPDB EM Validation Report i Dec14,2020–11:55PMJST PDBID : 5Y81 EMDBID : EMD-6816 Title : NuA4TEEAAsub-complex Authors : Wang,X.;Cai,G