Figure S1.
Hen Egg Lysozyme
Ln
PF
cal
Residue Number
1 21 41 61 81 101 121
Ln
PF
exp
H-COREX-CalculatedCOREX-CalculatedNMR-Determined
0
10
20
30
20
10
Figure S2.
Equine lysozyme
-18
-12
-6
0
6
12
18
Ln
PF
cal
Ln
PF
exp
1 21 41 61 81 101 121
Residue Number
18
12
6
0
6
18
12
H-COREX-CalculatedCOREX-CalculatedNMR-Determined
y = 0.91x - 0.23
R2 = 0.75
0
5
10
15
20
0 5 10 15 20Experimentally-determined
deuteron incorporation per peptide
DX
CO
RE
X-c
alc
ula
ted
d
eut
ero
n in
corp
ora
tion
pe
r pe
ptid
e
Figure S3.
Catalytic subunit of PKA E230Q
y = 1.06x + 0.15
R2 = 0.82
0
2
4
6
8
0 2 4 6 8Experimentally-determined
deuteron incorporation per peptide
DX
CO
RE
X-c
alc
ula
ted
d
eut
ero
n in
corp
ora
tion
pe
r pe
ptid
e
-actinin CH2 domain
Figure S4.
y = 0.73x + 0.45
R2 = 0.80
0
5
10
15
20
0 5 10 15 20Experimentally-determined
deuteron incorporation per peptide
DX
CO
RE
X-c
alc
ula
ted
d
eut
ero
n in
corp
ora
tion
pe
r pe
ptid
e
Rosiglitazone-bound PPAR LBD
Figure S5.
Figure S6.
y = 0.80x + 0.61R2 = 0.54
0
4
8
12
0 4 8 12
Experimentally-determined deuteron incorporation per peptide
DX
CO
RE
X-c
alcu
late
d de
uter
on in
corp
orat
ion
per
pept
ide(A)
y = 0.93x + 1.94R2 = 0.56
0
4
8
12
16
20
0 4 8 12 16 20
Experimentally-determined deuteron incorporation per peptide
DX
CO
RE
X-c
alcu
late
d de
uter
on in
corp
orat
ion
per
pept
ide(B)
pH = 6.1 pH = 8.8
Protein PDB ID Window size Number of microstates
Entropy factor (W)
PH T (0C)
Hen egg-white lysozyme 1HEL 8 50000 0.773 7.5 30
Equine lysozyme 2EQL 8 50000 1.02 4.5 25
Bovine pancreatic trypsin inhibitor 1BTI 6 126 0.65 3.5 30
Turkey ovomucoid third domain 2OVO 6 500 0.76 5 30
staphylococcal nuclease 1STN 12 2064 0.964 5.5 37
IB 1NFI 8 90000 1.097 7.5 25
D/D domain of type II isoform of PKA 1L6E 8 2000 0.85 6.9 23
Catalytic subunit of PKA E230Q 1SYK 8 70000 1 7.4 25
-actinin CH2 domain 2EYI 8 15000 0.75 7.0 4
hGHv 1HUW 8 40000 1 7.5 25
hGHv in the hGHv-hGHbp complex 1KF9 8 100000 1.05 7.5 25
Mitogen-activated protein kinase p38 1P38 8 80000 1.027 7.5 25
AlkB 2FD8 8 50000 1.026 7.0 4
Superoxide dismutase A4V 1UXM 8 40000 0.919 7.2 4
Superoxide dismutase WT 1PU0 8 40000 0.919 7.2 4
PPAR LBD 1PRG 8 110000 1.064 8.0 25
Rosiglitazone-bound PPAR LBD 2PRG 8 90000 1.085 8.0 25
Cerezyme 2NT1 8 110000 1.114 8.8 25
GVIA-2 iPLA2 catalytic domain N/A 8 70000 1.022 7 23
Study Proteins
Table S1.