A1IGU5_Q9NYS0.14
contacts (residues)
Receptor
R: Secondary Structure
R: Residue
R; Chain
R: Residue number
Ligand
L: Secondary Structure
L: Residue
L: Chain
L: Residue Number
R
H
LEU
A
286
L
-
MET
V
39
R
H
ASN
A
289
L
-
MET
V
39
R
H
ASN
A
289
L
S
GLU
V
40
R
H
VAL
A
290
L
-
MET
V
39
R
H
ALA
A
292
L
S
GLU
V
40
R
H
ALA
A
292
L
S
ASP
V
41
R
H
TYR
A
293
L
-
MET
V
39
R
H
TYR
A
293
L
S
GLU
V
40
R
H
TYR
A
293
L
H
HIS
V
74
R
H
ASN
A
296
L
S
GLU
V
40
R
H
ASN
A
296
L
S
ASP
V
41
R
H
ASN
A
296
L
S
VAL
V
42
R
H
ASN
A
296
L
S
TYR
V
60
R
H
PHE
A
300
L
H
HIS
V
74
R
H
PHE
A
300
L
H
SER
V
77
R
H
PHE
A
300
L
H
PHE
V
78
R
-
PHE
A
303
L
-
LYS
V
3
R
-
PHE
A
303
L
S
LYS
V
6
R
-
PHE
A
303
L
H
PHE
V
78
R
-
TYR
A
308
L
-
LYS
V
3
R
H
TYR
A
320
L
H
SER
V
77
R
H
PHE
A
332
L
H
HIS
V
74
R
H
MET
A
421
L
-
GLU
V
37
R
H
MET
A
421
L
-
ARG
V
63
R
H
PHE
A
424
L
-
MET
V
39
R
H
PHE
A
424
L
-
ARG
V
63
R
H
VAL
A
425
L
-
ARG
V
63
R
H
VAL
A
425
L
-
GLN
V
66
R
H
GLN
A
428
L
-
PRO
V
72
R
H
LEU
A
431
L
-
PRO
V
72
R
H
ALA
A
432
L
-
GLU
V
70
R
H
ALA
A
432
L
H
LYS
V
73
R
H
GLN
A
434
L
H
LYS
V
73
R
H
VAL
A
435
L
H
LYS
V
73
R
H
LEU
A
436
L
-
GLU
V
70
R
H
LEU
A
436
L
H
LYS
V
73
R
H
GLN
A
437
L
H
LYS
V
73
R
H
ARG
A
438
L
H
LYS
V
73
R
H
ALA
A
439
L
H
PHE
V
107
R
H
ALA
A
439
L
H
LYS
V
73
R
H
MET
A
443
L
H
LYS
V
106
R
H
GLU
A
453
L
-
LYS
V
110
R
H
PHE
A
456
L
-
LYS
V
110
R
H
ARG
A
457
L
-
LYS
V
110
R
H
ARG
A
457
L
-
LYS
V
143
R
H
VAL
A
460
L
-
LYS
V
110
R
H
GLU
A
461
L
-
LYS
V
143
R
-
GLY
A
519
L
-
ARG
V
51
R
-
THR
A
520
L
-
ARG
V
51
R
-
GLY
A
521
L
-
ARG
V
51
R
-
THR
A
522
L
-
ASP
V
50
R
-
LEU
A
523
L
-
ASP
V
50
R
-
ASP
A
524
L
-
ARG
V
51
R
-
THR
A
526
L
-
ARG
V
51
R
-
PRO
A
528
L
-
LYS
V
174
R
-
HIS
A
555
L
-
GLY
V
52
A1IGU5_Q9NYS0.14
contacts (residues & atoms)
Receptor
R: Secondary Structure
R: Atom
R: Residue
R; Chain
R: Residue number
Ligand
L: Secondary Structure
L; Atom
L: Residue
L: Chain
L: Residue Number
R
H
O
LEU
A
286
L
-
SD
MET
V
39
R
H
CD1
LEU
A
286
L
-
SD
MET
V
39
R
H
CA
ASN
A
289
L
-
SD
MET
V
39
R
H
CA
ASN
A
289
L
-
HB2
MET
V
39
R
H
C
ASN
A
289
L
-
CB
MET
V
39
R
H
C
ASN
A
289
L
-
CG
MET
V
39
R
H
C
ASN
A
289
L
-
SD
MET
V
39
R
H
C
ASN
A
289
L
-
CE
MET
V
39
R
H
C
ASN
A
289
L
-
HB2
MET
V
39
R
H
C
ASN
A
289
L
-
HB3
MET
V
39
R
H
C
ASN
A
289
L
-
HE2
MET
V
39
R
H
CB
ASN
A
289
L
-
CB
MET
V
39
R
H
CB
ASN
A
289
L
-
CG
MET
V
39
R
H
CB
ASN
A
289
L
-
SD
MET
V
39
R
H
CB
ASN
A
289
L
-
H
MET
V
39
R
H
CB
ASN
A
289
L
-
HB2
MET
V
39
R
H
CB
ASN
A
289
L
-
HG3
MET
V
39
R
H
O
ASN
A
289
L
-
CB
MET
V
39
R
H
O
ASN
A
289
L
-
SD
MET
V
39
R
H
O
ASN
A
289
L
-
HB2
MET
V
39
R
H
O
ASN
A
289
L
-
HB3
MET
V
39
R
H
O
ASN
A
289
L
-
HE2
MET
V
39
R
H
O
ASN
A
289
L
S
H
GLU
V
40
R
H
CG
ASN
A
289
L
-
H
MET
V
39
R
H
CG
ASN
A
289
L
-
HB2
MET
V
39
R
H
CG
ASN
A
289
L
-
HG3
MET
V
39
R
H
ND2
ASN
A
289
L
-
HG3
MET
V
39
R
H
OD1
ASN
A
289
L
-
H
MET
V
39
R
H
N
VAL
A
290
L
-
SD
MET
V
39
R
H
N
VAL
A
290
L
-
CE
MET
V
39
R
H
N
VAL
A
290
L
-
HE1
MET
V
39
R
H
N
VAL
A
290
L
-
HE2
MET
V
39
R
H
CA
VAL
A
290
L
-
SD
MET
V
39
R
H
CA
VAL
A
290
L
-
CE
MET
V
39
R
H
CA
VAL
A
290
L
-
HE1
MET
V
39
R
H
CA
VAL
A
290
L
-
HE2
MET
V
39
R
H
C
VAL
A
290
L
-
HE1
MET
V
39
R
H
CB
VAL
A
290
L
-
SD
MET
V
39
R
H
CB
VAL
A
290
L
-
CE
MET
V
39
R
H
CB
VAL
A
290
L
-
HE1
MET
V
39
R
H
CB
VAL
A
290
L
-
HE2
MET
V
39
R
H
CB
VAL
A
290
L
-
HE3
MET
V
39
R
H
CG1
VAL
A
290
L
-
CE
MET
V
39
R
H
CG1
VAL
A
290
L
-
HE1
MET
V
39
R
H
CG2
VAL
A
290
L
-
SD
MET
V
39
R
H
CG2
VAL
A
290
L
-
CE
MET
V
39
R
H
CG2
VAL
A
290
L
-
HE1
MET
V
39
R
H
CG2
VAL
A
290
L
-
HE2
MET
V
39
R
H
CG2
VAL
A
290
L
-
HE3
MET
V
39
R
H
C
ALA
A
292
L
S
O
GLU
V
40
R
H
CB
ALA
A
292
L
S
O
GLU
V
40
R
H
CB
ALA
A
292
L
S
OD1
ASP
V
41
R
H
O
ALA
A
292
L
S
O
GLU
V
40
R
H
N
TYR
A
293
L
S
O
GLU
V
40
R
H
N
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CA
TYR
A
293
L
S
CB
GLU
V
40
R
H
CA
TYR
A
293
L
S
O
GLU
V
40
R
H
CA
TYR
A
293
L
S
HB3
GLU
V
40
R
H
C
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CB
TYR
A
293
L
-
HB3
MET
V
39
R
H
CB
TYR
A
293
L
-
HE2
MET
V
39
R
H
CB
TYR
A
293
L
S
CB
GLU
V
40
R
H
CB
TYR
A
293
L
S
H
GLU
V
40
R
H
CB
TYR
A
293
L
S
HB2
GLU
V
40
R
H
CB
TYR
A
293
L
S
HB3
GLU
V
40
R
H
O
TYR
A
293
L
S
OE2
GLU
V
40
R
H
O
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CG
TYR
A
293
L
-
HB3
MET
V
39
R
H
CG
TYR
A
293
L
-
HE2
MET
V
39
R
H
CG
TYR
A
293
L
S
CB
GLU
V
40
R
H
CG
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CG
TYR
A
293
L
S
HB2
GLU
V
40
R
H
CG
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CD1
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CD1
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CD2
TYR
A
293
L
-
C
MET
V
39
R
H
CD2
TYR
A
293
L
-
O
MET
V
39
R
H
CD2
TYR
A
293
L
-
HB3
MET
V
39
R
H
CD2
TYR
A
293
L
S
N
GLU
V
40
R
H
CD2
TYR
A
293
L
S
CA
GLU
V
40
R
H
CD2
TYR
A
293
L
S
CB
GLU
V
40
R
H
CD2
TYR
A
293
L
S
CG
GLU
V
40
R
H
CD2
TYR
A
293
L
S
CD
GLU
V
40
R
H
CD2
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CD2
TYR
A
293
L
S
HB2
GLU
V
40
R
H
CD2
TYR
A
293
L
S
HB3
GLU
V
40
R
H
CE1
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CE2
TYR
A
293
L
-
O
MET
V
39
R
H
CE2
TYR
A
293
L
S
CB
GLU
V
40
R
H
CE2
TYR
A
293
L
S
CD
GLU
V
40
R
H
CE2
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CE2
TYR
A
293
L
S
HB2
GLU
V
40
R
H
CE2
TYR
A
293
L
S
HB3
GLU
V
40
R
H
OH
TYR
A
293
L
S
OE2
GLU
V
40
R
H
OH
TYR
A
293
L
H
HE1
HIS
V
74
R
H
CZ
TYR
A
293
L
S
OE2
GLU
V
40
R
H
CZ
TYR
A
293
L
S
HB2
GLU
V
40
R
H
CB
ASN
A
296
L
S
CG
GLU
V
40
R
H
CB
ASN
A
296
L
S
CD
GLU
V
40
R
H
CB
ASN
A
296
L
S
OE1
GLU
V
40
R
H
CB
ASN
A
296
L
S
HG2
GLU
V
40
R
H
CB
ASN
A
296
L
S
CG2
VAL
V
42
R
H
CB
ASN
A
296
L
S
HG21
VAL
V
42
R
H
CB
ASN
A
296
L
S
HG22
VAL
V
42
R
H
O
ASN
A
296
L
S
HE1
TYR
V
60
R
H
CG
ASN
A
296
L
S
HG2
GLU
V
40
R
H
CG
ASN
A
296
L
S
HA
ASP
V
41
R
H
CG
ASN
A
296
L
S
CB
VAL
V
42
R
H
CG
ASN
A
296
L
S
CG2
VAL
V
42
R
H
CG
ASN
A
296
L
S
HB
VAL
V
42
R
H
CG
ASN
A
296
L
S
HG21
VAL
V
42
R
H
CG
ASN
A
296
L
S
HG22
VAL
V
42
R
H
CG
ASN
A
296
L
S
HG23
VAL
V
42
R
H
ND2
ASN
A
296
L
S
C
GLU
V
40
R
H
ND2
ASN
A
296
L
S
O
GLU
V
40
R
H
ND2
ASN
A
296
L
S
CG
GLU
V
40
R
H
ND2
ASN
A
296
L
S
HB3
GLU
V
40
R
H
ND2
ASN
A
296
L
S
HG2
GLU
V
40
R
H
ND2
ASN
A
296
L
S
N
ASP
V
41
R
H
ND2
ASN
A
296
L
S
CA
ASP
V
41
R
H
ND2
ASN
A
296
L
S
C
ASP
V
41
R
H
ND2
ASN
A
296
L
S
O
ASP
V
41
R
H
ND2
ASN
A
296
L
S
HA
ASP
V
41
R
H
ND2
ASN
A
296
L
S
N
VAL
V
42
R
H
ND2
ASN
A
296
L
S
CG2
VAL
V
42
R
H
ND2
ASN
A
296
L
S
H
VAL
V
42
R
H
ND2
ASN
A
296
L
S
HG21
VAL
V
42
R
H
ND2
ASN
A
296
L
S
HG22
VAL
V
42
R
H
ND2
ASN
A
296
L
S
HG23
VAL
V
42
R
H
OD1
ASN
A
296
L
S
N
VAL
V
42
R
H
OD1
ASN
A
296
L
S
CB
VAL
V
42
R
H
OD1
ASN
A
296
L
S
CG2
VAL
V
42
R
H
OD1
ASN
A
296
L
S
H
VAL
V
42
R
H
OD1
ASN
A
296
L
S
HB
VAL
V
42
R
H
OD1
ASN
A
296
L
S
HG21
VAL
V
42
R
H
OD1
ASN
A
296
L
S
HG22
VAL
V
42
R
H
OD1
ASN
A
296
L
S
HG23
VAL
V
42
R
H
CG
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CG
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CG
PHE
A
300
L
H
CD1
PHE
V
78
R
H
CG
PHE
A
300
L
H
HD1
PHE
V
78
R
H
CG
PHE
A
300
L
H
HE1
PHE
V
78
R
H
CD1
PHE
A
300
L
H
CD2
HIS
V
74
R
H
CD1
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CD1
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CD2
PHE
A
300
L
H
CD2
HIS
V
74
R
H
CD2
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CD2
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CD2
PHE
A
300
L
H
CB
PHE
V
78
R
H
CD2
PHE
A
300
L
H
CG
PHE
V
78
R
H
CD2
PHE
A
300
L
H
CD1
PHE
V
78
R
H
CD2
PHE
A
300
L
H
CE1
PHE
V
78
R
H
CD2
PHE
A
300
L
H
HB2
PHE
V
78
R
H
CD2
PHE
A
300
L
H
HD1
PHE
V
78
R
H
CD2
PHE
A
300
L
H
HE1
PHE
V
78
R
H
CE1
PHE
A
300
L
H
CB
HIS
V
74
R
H
CE1
PHE
A
300
L
H
CG
HIS
V
74
R
H
CE1
PHE
A
300
L
H
CD2
HIS
V
74
R
H
CE1
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CE1
PHE
A
300
L
H
HB3
HIS
V
74
R
H
CE1
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CE1
PHE
A
300
L
H
HD1
PHE
V
78
R
H
CE2
PHE
A
300
L
H
C
HIS
V
74
R
H
CE2
PHE
A
300
L
H
CB
HIS
V
74
R
H
CE2
PHE
A
300
L
H
O
HIS
V
74
R
H
CE2
PHE
A
300
L
H
CD2
HIS
V
74
R
H
CE2
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CE2
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CE2
PHE
A
300
L
H
CB
PHE
V
78
R
H
CE2
PHE
A
300
L
H
CG
PHE
V
78
R
H
CE2
PHE
A
300
L
H
CD1
PHE
V
78
R
H
CE2
PHE
A
300
L
H
CE1
PHE
V
78
R
H
CE2
PHE
A
300
L
H
H
PHE
V
78
R
H
CE2
PHE
A
300
L
H
HB2
PHE
V
78
R
H
CE2
PHE
A
300
L
H
HD1
PHE
V
78
R
H
CE2
PHE
A
300
L
H
HE1
PHE
V
78
R
H
CZ
PHE
A
300
L
H
CA
HIS
V
74
R
H
CZ
PHE
A
300
L
H
C
HIS
V
74
R
H
CZ
PHE
A
300
L
H
CB
HIS
V
74
R
H
CZ
PHE
A
300
L
H
O
HIS
V
74
R
H
CZ
PHE
A
300
L
H
CG
HIS
V
74
R
H
CZ
PHE
A
300
L
H
CD2
HIS
V
74
R
H
CZ
PHE
A
300
L
H
HA
HIS
V
74
R
H
CZ
PHE
A
300
L
H
HB2
HIS
V
74
R
H
CZ
PHE
A
300
L
H
HB3
HIS
V
74
R
H
CZ
PHE
A
300
L
H
HD2
HIS
V
74
R
H
CZ
PHE
A
300
L
H
HB2
SER
V
77
R
H
CZ
PHE
A
300
L
H
CD1
PHE
V
78
R
H
CZ
PHE
A
300
L
H
HB2
PHE
V
78
R
H
CZ
PHE
A
300
L
H
HD1
PHE
V
78
R
-
CB
PHE
A
303
L
S
NZ
LYS
V
6
R
-
CB
PHE
A
303
L
S
HZ1
LYS
V
6
R
-
CB
PHE
A
303
L
S
HZ2
LYS
V
6
R
-
CB
PHE
A
303
L
S
HZ3
LYS
V
6
R
-
CG
PHE
A
303
L
S
NZ
LYS
V
6
R
-
CG
PHE
A
303
L
S
HZ1
LYS
V
6
R
-
CG
PHE
A
303
L
S
HZ2
LYS
V
6
R
-
CG
PHE
A
303
L
S
HZ3
LYS
V
6
R
-
CD1
PHE
A
303
L
S
NZ
LYS
V
6
R
-
CD1
PHE
A
303
L
S
HZ1
LYS
V
6
R
-
CD1
PHE
A
303
L
S
HZ2
LYS
V
6
R
-
CD1
PHE
A
303
L
S
HZ3
LYS
V
6
R
-
CD1
PHE
A
303
L
H
HB3
PHE
V
78
R
-
CD2
PHE
A
303
L
S
HZ1
LYS
V
6
R
-
CD2
PHE
A
303
L
S
HZ3
LYS
V
6
R
-
CE1
PHE
A
303
L
S
HZ3
LYS
V
6
R
-
CE2
PHE
A
303
L
-
HZ2
LYS
V
3
R
-
OH
TYR
A
308
L
-
HZ1
LYS
V
3
R
H
OH
TYR
A
320
L
H
CA
SER
V
77
R
H
OH
TYR
A
320
L
H
CB
SER
V
77
R
H
OH
TYR
A
320
L
H
O
SER
V
77
R
H
OH
TYR
A
320
L
H
OG
SER
V
77
R
H
OH
TYR
A
320
L
H
HA
SER
V
77
R
H
OH
TYR
A
320
L
H
HB3
SER
V
77
R
H
CZ
TYR
A
320
L
H
HA
SER
V
77
R
H
CG
PHE
A
332
L
H
HB3
HIS
V
74
R
H
CD1
PHE
A
332
L
H
CB
HIS
V
74
R
H
CD1
PHE
A
332
L
H
CG
HIS
V
74
R
H
CD1
PHE
A
332
L
H
ND1
HIS
V
74
R
H
CD1
PHE
A
332
L
H
HB3
HIS
V
74
R
H
CD2
PHE
A
332
L
H
CB
HIS
V
74
R
H
CD2
PHE
A
332
L
H
HB2
HIS
V
74
R
H
CD2
PHE
A
332
L
H
HB3
HIS
V
74
R
H
CE1
PHE
A
332
L
H
N
HIS
V
74
R
H
CE1
PHE
A
332
L
H
CA
HIS
V
74
R
H
CE1
PHE
A
332
L
H
CB
HIS
V
74
R
H
CE1
PHE
A
332
L
H
CG
HIS
V
74
R
H
CE1
PHE
A
332
L
H
ND1
HIS
V
74
R
H
CE1
PHE
A
332
L
H
CE1
HIS
V
74
R
H
CE1
PHE
A
332
L
H
H
HIS
V
74
R
H
CE1
PHE
A
332
L
H
HB2
HIS
V
74
R
H
CE1
PHE
A
332
L
H
HB3
HIS
V
74
R
H
CE2
PHE
A
332
L
H
CA
HIS
V
74
R
H
CE2
PHE
A
332
L
H
CB
HIS
V
74
R
H
CE2
PHE
A
332
L
H
HA
HIS
V
74
R
H
CE2
PHE
A
332
L
H
HB2
HIS
V
74
R
H
CE2
PHE
A
332
L
H
HB3
HIS
V
74
R
H
CZ
PHE
A
332
L
H
N
HIS
V
74
R
H
CZ
PHE
A
332
L
H
CA
HIS
V
74
R
H
CZ
PHE
A
332
L
H
CB
HIS
V
74
R
H
CZ
PHE
A
332
L
H
CG
HIS
V
74
R
H
CZ
PHE
A
332
L
H
ND1
HIS
V
74
R
H
CZ
PHE
A
332
L
H
H
HIS
V
74
R
H
CZ
PHE
A
332
L
H
HA
HIS
V
74
R
H
CZ
PHE
A
332
L
H
HB2
HIS
V
74
R
H
CZ
PHE
A
332
L
H
HB3
HIS
V
74
R
H
O
MET
A
421
L
-
HH12
ARG
V
63
R
H
CE
MET
A
421
L
-
OE2
GLU
V
37
R
H
CE
MET
A
421
L
-
HH21
ARG
V
63
R
H
CE
MET
A
421
L
-
HH22
ARG
V
63
R
H
CG
PHE
A
424
L
-
HE3
MET
V
39
R
H
CG
PHE
A
424
L
-
HH11
ARG
V
63
R
H
CG
PHE
A
424
L
-
HH12
ARG
V
63
R
H
CD1
PHE
A
424
L
-
NH1
ARG
V
63
R
H
CD1
PHE
A
424
L
-
CZ
ARG
V
63
R
H
CD1
PHE
A
424
L
-
HH11
ARG
V
63
R
H
CD1
PHE
A
424
L
-
HH12
ARG
V
63
R
H
CD2
PHE
A
424
L
-
HE3
MET
V
39
R
H
CE1
PHE
A
424
L
-
CD
ARG
V
63
R
H
CE1
PHE
A
424
L
-
NH1
ARG
V
63
R
H
CE1
PHE
A
424
L
-
CZ
ARG
V
63
R
H
CE1
PHE
A
424
L
-
HD2
ARG
V
63
R
H
CE1
PHE
A
424
L
-
HD3
ARG
V
63
R
H
CE1
PHE
A
424
L
-
HH11
ARG
V
63
R
H
CE1
PHE
A
424
L
-
HH12
ARG
V
63
R
H
CE2
PHE
A
424
L
-
HE2
MET
V
39
R
H
CE2
PHE
A
424
L
-
HE3
MET
V
39
R
H
CZ
PHE
A
424
L
-
HE3
MET
V
39
R
H
CZ
PHE
A
424
L
-
HD3
ARG
V
63
R
H
CZ
PHE
A
424
L
-
HH11
ARG
V
63
R
H
N
VAL
A
425
L
-
HH12
ARG
V
63
R
H
CA
VAL
A
425
L
-
HH12
ARG
V
63
R
H
CB
VAL
A
425
L
-
HH12
ARG
V
63
R
H
CG1
VAL
A
425
L
-
HE22
GLN
V
66
R
H
CG2
VAL
A
425
L
-
NH1
ARG
V
63
R
H
CG2
VAL
A
425
L
-
NH2
ARG
V
63
R
H
CG2
VAL
A
425
L
-
CZ
ARG
V
63
R
H
CG2
VAL
A
425
L
-
HH11
ARG
V
63
R
H
CG2
VAL
A
425
L
-
HH12
ARG
V
63
R
H
CG2
VAL
A
425
L
-
HH22
ARG
V
63
R
H
CG2
VAL
A
425
L
-
HE22
GLN
V
66
R
H
OE1
GLN
A
428
L
-
CG
PRO
V
72
R
H
OE1
GLN
A
428
L
-
HG2
PRO
V
72
R
H
OE1
GLN
A
428
L
-
HG3
PRO
V
72
R
H
CD2
LEU
A
431
L
-
HB3
PRO
V
72
R
H
CB
ALA
A
432
L
-
HB2
GLU
V
70
R
H
O
ALA
A
432
L
H
HE3
LYS
V
73
R
H
O
GLN
A
434
L
H
HZ2
LYS
V
73
R
H
N
VAL
A
435
L
H
HD2
LYS
V
73
R
H
N
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
CA
VAL
A
435
L
H
CD
LYS
V
73
R
H
CA
VAL
A
435
L
H
CE
LYS
V
73
R
H
CA
VAL
A
435
L
H
NZ
LYS
V
73
R
H
CA
VAL
A
435
L
H
HD2
LYS
V
73
R
H
CA
VAL
A
435
L
H
HD3
LYS
V
73
R
H
CA
VAL
A
435
L
H
HE3
LYS
V
73
R
H
CA
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
C
VAL
A
435
L
H
CD
LYS
V
73
R
H
C
VAL
A
435
L
H
CE
LYS
V
73
R
H
C
VAL
A
435
L
H
NZ
LYS
V
73
R
H
C
VAL
A
435
L
H
HD2
LYS
V
73
R
H
C
VAL
A
435
L
H
HD3
LYS
V
73
R
H
C
VAL
A
435
L
H
HE2
LYS
V
73
R
H
C
VAL
A
435
L
H
HE3
LYS
V
73
R
H
C
VAL
A
435
L
H
HZ1
LYS
V
73
R
H
C
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
C
VAL
A
435
L
H
HZ3
LYS
V
73
R
H
CB
VAL
A
435
L
H
CB
LYS
V
73
R
H
CB
VAL
A
435
L
H
CG
LYS
V
73
R
H
CB
VAL
A
435
L
H
CD
LYS
V
73
R
H
CB
VAL
A
435
L
H
CE
LYS
V
73
R
H
CB
VAL
A
435
L
H
NZ
LYS
V
73
R
H
CB
VAL
A
435
L
H
H
LYS
V
73
R
H
CB
VAL
A
435
L
H
HB3
LYS
V
73
R
H
CB
VAL
A
435
L
H
HG3
LYS
V
73
R
H
CB
VAL
A
435
L
H
HD2
LYS
V
73
R
H
CB
VAL
A
435
L
H
HD3
LYS
V
73
R
H
CB
VAL
A
435
L
H
HE3
LYS
V
73
R
H
CB
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
O
VAL
A
435
L
H
CD
LYS
V
73
R
H
O
VAL
A
435
L
H
CE
LYS
V
73
R
H
O
VAL
A
435
L
H
NZ
LYS
V
73
R
H
O
VAL
A
435
L
H
HD2
LYS
V
73
R
H
O
VAL
A
435
L
H
HD3
LYS
V
73
R
H
O
VAL
A
435
L
H
HE2
LYS
V
73
R
H
O
VAL
A
435
L
H
HE3
LYS
V
73
R
H
O
VAL
A
435
L
H
HZ1
LYS
V
73
R
H
O
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
O
VAL
A
435
L
H
HZ3
LYS
V
73
R
H
CG1
VAL
A
435
L
H
N
LYS
V
73
R
H
CG1
VAL
A
435
L
H
CA
LYS
V
73
R
H
CG1
VAL
A
435
L
H
CB
LYS
V
73
R
H
CG1
VAL
A
435
L
H
CG
LYS
V
73
R
H
CG1
VAL
A
435
L
H
CD
LYS
V
73
R
H
CG1
VAL
A
435
L
H
CE
LYS
V
73
R
H
CG1
VAL
A
435
L
H
NZ
LYS
V
73
R
H
CG1
VAL
A
435
L
H
H
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HB2
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HB3
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HG2
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HG3
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HD2
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HD3
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HE2
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HE3
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HZ2
LYS
V
73
R
H
CG1
VAL
A
435
L
H
HZ3
LYS
V
73
R
H
CG2
VAL
A
435
L
H
CB
LYS
V
73
R
H
CG2
VAL
A
435
L
H
CG
LYS
V
73
R
H
CG2
VAL
A
435
L
H
CD
LYS
V
73
R
H
CG2
VAL
A
435
L
H
H
LYS
V
73
R
H
CG2
VAL
A
435
L
H
HB3
LYS
V
73
R
H
CG2
VAL
A
435
L
H
HG3
LYS
V
73
R
H
CG2
VAL
A
435
L
H
HD2
LYS
V
73
R
H
N
LEU
A
436
L
H
CD
LYS
V
73
R
H
N
LEU
A
436
L
H
CE
LYS
V
73
R
H
N
LEU
A
436
L
H
NZ
LYS
V
73
R
H
N
LEU
A
436
L
H
HD2
LYS
V
73
R
H
N
LEU
A
436
L
H
HE2
LYS
V
73
R
H
N
LEU
A
436
L
H
HE3
LYS
V
73
R
H
N
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
N
LEU
A
436
L
H
HZ2
LYS
V
73
R
H
N
LEU
A
436
L
H
HZ3
LYS
V
73
R
H
CA
LEU
A
436
L
H
CD
LYS
V
73
R
H
CA
LEU
A
436
L
H
CE
LYS
V
73
R
H
CA
LEU
A
436
L
H
NZ
LYS
V
73
R
H
CA
LEU
A
436
L
H
HD2
LYS
V
73
R
H
CA
LEU
A
436
L
H
HE2
LYS
V
73
R
H
CA
LEU
A
436
L
H
HE3
LYS
V
73
R
H
CA
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
CA
LEU
A
436
L
H
HZ2
LYS
V
73
R
H
CA
LEU
A
436
L
H
HZ3
LYS
V
73
R
H
C
LEU
A
436
L
H
CE
LYS
V
73
R
H
C
LEU
A
436
L
H
NZ
LYS
V
73
R
H
C
LEU
A
436
L
H
HE3
LYS
V
73
R
H
C
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
C
LEU
A
436
L
H
HZ2
LYS
V
73
R
H
C
LEU
A
436
L
H
HZ3
LYS
V
73
R
H
CB
LEU
A
436
L
H
CE
LYS
V
73
R
H
CB
LEU
A
436
L
H
NZ
LYS
V
73
R
H
CB
LEU
A
436
L
H
HE2
LYS
V
73
R
H
CB
LEU
A
436
L
H
HE3
LYS
V
73
R
H
CB
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
CB
LEU
A
436
L
H
HZ2
LYS
V
73
R
H
CB
LEU
A
436
L
H
HZ3
LYS
V
73
R
H
O
LEU
A
436
L
H
NZ
LYS
V
73
R
H
O
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
O
LEU
A
436
L
H
HZ2
LYS
V
73
R
H
O
LEU
A
436
L
H
HZ3
LYS
V
73
R
H
CG
LEU
A
436
L
H
NZ
LYS
V
73
R
H
CG
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
CD1
LEU
A
436
L
-
OE2
GLU
V
70
R
H
CD1
LEU
A
436
L
H
NZ
LYS
V
73
R
H
CD1
LEU
A
436
L
H
HE2
LYS
V
73
R
H
CD1
LEU
A
436
L
H
HZ1
LYS
V
73
R
H
CD2
LEU
A
436
L
-
OE1
GLU
V
70
R
H
CD2
LEU
A
436
L
-
OE2
GLU
V
70
R
H
N
GLN
A
437
L
H
NZ
LYS
V
73
R
H
N
GLN
A
437
L
H
HZ1
LYS
V
73
R
H
N
GLN
A
437
L
H
HZ2
LYS
V
73
R
H
N
ARG
A
438
L
H
HZ2
LYS
V
73
R
H
N
ALA
A
439
L
H
NZ
LYS
V
73
R
H
N
ALA
A
439
L
H
HZ2
LYS
V
73
R
H
N
ALA
A
439
L
H
HZ3
LYS
V
73
R
H
CA
ALA
A
439
L
H
HZ3
LYS
V
73
R
H
CB
ALA
A
439
L
H
CE
LYS
V
73
R
H
CB
ALA
A
439
L
H
NZ
LYS
V
73
R
H
CB
ALA
A
439
L
H
HD3
LYS
V
73
R
H
CB
ALA
A
439
L
H
HZ1
LYS
V
73
R
H
CB
ALA
A
439
L
H
HZ2
LYS
V
73
R
H
CB
ALA
A
439
L
H
HZ3
LYS
V
73
R
H
CB
ALA
A
439
L
H
HE1
PHE
V
107
R
H
CB
ALA
A
439
L
H
HZ
PHE
V
107
R
H
SD
MET
A
443
L
H
CE
LYS
V
106
R
H
SD
MET
A
443
L
H
HG2
LYS
V
106
R
H
SD
MET
A
443
L
H
HE2
LYS
V
106
R
H
SD
MET
A
443
L
H
HE3
LYS
V
106
R
H
CE
MET
A
443
L
H
CE
LYS
V
106
R
H
CE
MET
A
443
L
H
NZ
LYS
V
106
R
H
CE
MET
A
443
L
H
HE2
LYS
V
106
R
H
CE
MET
A
443
L
H
HE3
LYS
V
106
R
H
CE
MET
A
443
L
H
HZ1
LYS
V
106
R
H
CA
GLU
A
453
L
-
HZ1
LYS
V
110
R
H
C
GLU
A
453
L
-
NZ
LYS
V
110
R
H
C
GLU
A
453
L
-
HZ1
LYS
V
110
R
H
CB
GLU
A
453
L
-
HZ1
LYS
V
110
R
H
O
GLU
A
453
L
-
NZ
LYS
V
110
R
H
O
GLU
A
453
L
-
HZ1
LYS
V
110
R
H
O
GLU
A
453
L
-
HZ2
LYS
V
110
R
H
O
GLU
A
453
L
-
HZ3
LYS
V
110
R
H
CG
GLU
A
453
L
-
HZ1
LYS
V
110
R
H
N
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CA
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
C
PHE
A
456
L
-
NZ
LYS
V
110
R
H
C
PHE
A
456
L
-
HD2
LYS
V
110
R
H
C
PHE
A
456
L
-
HZ1
LYS
V
110
R
H
C
PHE
A
456
L
-
HZ2
LYS
V
110
R
H
C
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CB
PHE
A
456
L
-
NZ
LYS
V
110
R
H
CB
PHE
A
456
L
-
HZ1
LYS
V
110
R
H
CB
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
O
PHE
A
456
L
-
HD2
LYS
V
110
R
H
O
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CG
PHE
A
456
L
-
NZ
LYS
V
110
R
H
CG
PHE
A
456
L
-
HD2
LYS
V
110
R
H
CG
PHE
A
456
L
-
HE3
LYS
V
110
R
H
CG
PHE
A
456
L
-
HZ1
LYS
V
110
R
H
CG
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CD1
PHE
A
456
L
-
CD
LYS
V
110
R
H
CD1
PHE
A
456
L
-
CE
LYS
V
110
R
H
CD1
PHE
A
456
L
-
NZ
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HG3
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HD2
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HE3
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HZ1
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HZ2
LYS
V
110
R
H
CD1
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CE1
PHE
A
456
L
-
CG
LYS
V
110
R
H
CE1
PHE
A
456
L
-
CD
LYS
V
110
R
H
CE1
PHE
A
456
L
-
CE
LYS
V
110
R
H
CE1
PHE
A
456
L
-
NZ
LYS
V
110
R
H
CE1
PHE
A
456
L
-
HB2
LYS
V
110
R
H
CE1
PHE
A
456
L
-
HG3
LYS
V
110
R
H
CE1
PHE
A
456
L
-
HD2
LYS
V
110
R
H
CE1
PHE
A
456
L
-
HE3
LYS
V
110
R
H
CE1
PHE
A
456
L
-
HZ3
LYS
V
110
R
H
CZ
PHE
A
456
L
-
HD2
LYS
V
110
R
H
N
ARG
A
457
L
-
CE
LYS
V
110
R
H
N
ARG
A
457
L
-
NZ
LYS
V
110
R
H
N
ARG
A
457
L
-
HD2
LYS
V
110
R
H
N
ARG
A
457
L
-
HZ1
LYS
V
110
R
H
N
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
N
ARG
A
457
L
-
HZ3
LYS
V
110
R
H
CA
ARG
A
457
L
-
CD
LYS
V
110
R
H
CA
ARG
A
457
L
-
CE
LYS
V
110
R
H
CA
ARG
A
457
L
-
NZ
LYS
V
110
R
H
CA
ARG
A
457
L
-
HD2
LYS
V
110
R
H
CA
ARG
A
457
L
-
HD3
LYS
V
110
R
H
CA
ARG
A
457
L
-
HZ1
LYS
V
110
R
H
CA
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
CA
ARG
A
457
L
-
HZ3
LYS
V
110
R
H
C
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
CB
ARG
A
457
L
-
CE
LYS
V
110
R
H
CB
ARG
A
457
L
-
NZ
LYS
V
110
R
H
CB
ARG
A
457
L
-
HD3
LYS
V
110
R
H
CB
ARG
A
457
L
-
HZ1
LYS
V
110
R
H
CB
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
CB
ARG
A
457
L
-
HZ3
LYS
V
110
R
H
CG
ARG
A
457
L
-
NZ
LYS
V
110
R
H
CG
ARG
A
457
L
-
HD3
LYS
V
110
R
H
CG
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
CD
ARG
A
457
L
-
HZ2
LYS
V
110
R
H
NE
ARG
A
457
L
-
HZ2
LYS
V
143
R
H
NH2
ARG
A
457
L
-
CD
LYS
V
143
R
H
NH2
ARG
A
457
L
-
CE
LYS
V
143
R
H
NH2
ARG
A
457
L
-
NZ
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HD2
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HE2
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HE3
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HZ1
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HZ2
LYS
V
143
R
H
NH2
ARG
A
457
L
-
HZ3
LYS
V
143
R
H
CZ
ARG
A
457
L
-
HE3
LYS
V
143
R
H
CZ
ARG
A
457
L
-
HZ1
LYS
V
143
R
H
CZ
ARG
A
457
L
-
HZ2
LYS
V
143
R
H
CB
VAL
A
460
L
-
HB2
LYS
V
110
R
H
CB
VAL
A
460
L
-
HD2
LYS
V
110
R
H
CG1
VAL
A
460
L
-
HB2
LYS
V
110
R
H
CG1
VAL
A
460
L
-
HB3
LYS
V
110
R
H
CG2
VAL
A
460
L
-
HB2
LYS
V
110
R
H
CG2
VAL
A
460
L
-
HD2
LYS
V
110
R
H
OE1
GLU
A
461
L
-
NZ
LYS
V
143
R
H
OE1
GLU
A
461
L
-
HZ1
LYS
V
143
R
H
OE1
GLU
A
461
L
-
HZ2
LYS
V
143
R
-
C
GLY
A
519
L
-
NH1
ARG
V
51
R
-
C
GLY
A
519
L
-
NH2
ARG
V
51
R
-
C
GLY
A
519
L
-
CZ
ARG
V
51
R
-
C
GLY
A
519
L
-
HH12
ARG
V
51
R
-
C
GLY
A
519
L
-
HH22
ARG
V
51
R
-
O
GLY
A
519
L
-
NH1
ARG
V
51
R
-
O
GLY
A
519
L
-
NH2
ARG
V
51
R
-
O
GLY
A
519
L
-
CZ
ARG
V
51
R
-
O
GLY
A
519
L
-
HH11
ARG
V
51
R
-
O
GLY
A
519
L
-
HH12
ARG
V
51
R
-
O
GLY
A
519
L
-
HH21
ARG
V
51
R
-
O
GLY
A
519
L
-
HH22
ARG
V
51
R
-
CA
THR
A
520
L
-
NH2
ARG
V
51
R
-
CA
THR
A
520
L
-
HH22
ARG
V
51
R
-
C
THR
A
520
L
-
HH21
ARG
V
51
R
-
C
THR
A
520
L
-
HH22
ARG
V
51
R
-
O
THR
A
520
L
-
NH2
ARG
V
51
R
-
O
THR
A
520
L
-
HH21
ARG
V
51
R
-
O
THR
A
520
L
-
HH22
ARG
V
51
R
-
O
GLY
A
521
L
-
HE
ARG
V
51
R
-
O
GLY
A
521
L
-
HH21
ARG
V
51
R
-
CA
THR
A
522
L
-
OD2
ASP
V
50
R
-
CG2
THR
A
522
L
-
OD2
ASP
V
50
R
-
CG2
THR
A
522
L
-
HB3
ASP
V
50
R
-
N
LEU
A
523
L
-
OD2
ASP
V
50
R
-
N
LEU
A
523
L
-
HB3
ASP
V
50
R
-
CD2
LEU
A
523
L
-
O
ASP
V
50
R
-
CD2
LEU
A
523
L
-
HB3
ASP
V
50
R
-
C
ASP
A
524
L
-
HG2
ARG
V
51
R
-
O
ASP
A
524
L
-
CG
ARG
V
51
R
-
O
ASP
A
524
L
-
CD
ARG
V
51
R
-
O
ASP
A
524
L
-
NE
ARG
V
51
R
-
O
ASP
A
524
L
-
HB3
ARG
V
51
R
-
O
ASP
A
524
L
-
HG2
ARG
V
51
R
-
O
ASP
A
524
L
-
HD2
ARG
V
51
R
-
OG1
THR
A
526
L
-
HH11
ARG
V
51
R
-
CA
PRO
A
528
L
-
HZ1
LYS
V
174
R
-
CB
PRO
A
528
L
-
NZ
LYS
V
174
R
-
CB
PRO
A
528
L
-
HE3
LYS
V
174
R
-
CB
PRO
A
528
L
-
HZ1
LYS
V
174
R
-
CB
PRO
A
528
L
-
HZ2
LYS
V
174
R
-
CG
PRO
A
528
L
-
HZ1
LYS
V
174
R
-
CG
HIS
A
555
L
-
HA3
GLY
V
52
R
-
ND1
HIS
A
555
L
-
HA3
GLY
V
52
R
-
CE1
HIS
A
555
L
-
O
GLY
V
52
R
-
CE1
HIS
A
555
L
-
HA3
GLY
V
52
R
-
NE2
HIS
A
555
L
-
O
GLY
V
52
R
-
NE2
HIS
A
555
L
-
HA3
GLY
V
52