A1IGU5_Q96AX2.1
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
231
L
H
ARG
V
216
R
H
LEU
A
231
L
H
CYS
V
219
R
H
LEU
A
231
L
H
CYS
V
220
R
H
LYS
A
246
L
-
MET
V
223
R
-
PRO
A
593
L
H
GLU
V
90
R
-
PRO
A
595
L
H
SER
V
116
R
-
PRO
A
595
L
H
ASP
V
119
R
-
PRO
A
595
L
H
ASN
V
120
R
-
ALA
A
596
L
H
ASP
V
119
R
-
LEU
A
597
L
H
LYS
V
115
R
-
LEU
A
597
L
H
ASP
V
119
R
-
VAL
A
598
L
H
LYS
V
115
R
-
VAL
A
598
L
H
PHE
V
118
R
-
VAL
A
598
L
H
ASP
V
119
R
-
VAL
A
598
L
H
ARG
V
122
R
-
VAL
A
598
L
H
LEU
V
161
R
-
PRO
A
599
L
H
ARG
V
122
R
-
SER
A
600
L
H
ASP
V
157
R
-
ILE
A
601
L
H
GLU
V
156
R
-
ILE
A
601
L
H
ASP
V
157
R
-
ILE
A
601
L
H
THR
V
160
R
-
PRO
A
602
L
-
ARG
V
154
R
-
PRO
A
602
L
H
GLU
V
156
R
-
THR
A
603
L
-
ARG
V
154
R
-
THR
A
603
L
H
GLU
V
156
R
-
THR
A
603
L
H
GLU
V
159
R
-
MET
A
604
L
H
GLU
V
156
R
-
ALA
A
634
L
H
PHE
V
222
R
-
GLN
A
635
L
H
PHE
V
222
R
-
PRO
A
641
L
H
SER
V
221
R
-
PRO
A
641
L
H
PHE
V
222
R
-
PRO
A
641
L
-
MET
V
223
R
-
GLU
A
642
L
H
PHE
V
222
R
-
GLU
A
642
L
-
MET
V
223
R
S
TRP
A
643
L
H
PHE
V
222
R
S
SER
A
644
L
H
PHE
V
222
R
H
SER
A
657
L
H
PHE
V
222
R
S
ARG
A
662
L
H
SER
V
218
R
-
ARG
A
664
L
H
LYS
V
215
R
-
SER
A
665
L
H
ARG
V
163
R
-
PRO
A
666
L
H
ARG
V
163
R
-
VAL
A
667
L
H
ARG
V
163
R
-
LEU
A
668
L
H
ARG
V
163
R
-
LEU
A
668
L
H
ARG
V
207
R
-
TRP
A
669
L
-
GLN
V
205
R
-
TRP
A
669
L
H
ARG
V
207
R
-
GLY
A
670
L
H
ARG
V
163
R
-
GLY
A
670
L
H
TYR
V
165
R
-
GLY
A
670
L
-
GLY
V
166
R
-
GLY
A
670
L
H
ARG
V
207
R
-
TRP
A
671
L
H
TYR
V
165
R
-
TRP
A
671
L
-
GLY
V
166
R
-
TRP
A
671
L
H
ARG
V
194
R
-
TRP
A
671
L
H
ILE
V
206
R
-
TRP
A
671
L
H
ARG
V
207
R
-
SER
A
672
L
H
HIS
V
129
R
-
SER
A
672
L
S
ILE
V
138
R
-
SER
A
672
L
H
TYR
V
165
R
-
SER
A
672
L
-
GLY
V
166
R
-
LEU
A
673
L
H
HIS
V
129
R
-
LEU
A
673
L
-
ARG
V
134
R
-
LEU
A
673
L
-
ASP
V
135
R
-
PRO
A
674
L
H
ILE
V
128
R
-
PRO
A
674
L
H
HIS
V
129
R
-
PRO
A
674
L
-
ALA
V
132
R
-
PRO
A
674
L
-
GLN
V
133
R
-
PRO
A
674
L
-
ARG
V
134
R
-
PRO
A
674
L
-
VAL
V
136
R
-
PRO
A
674
L
S
ILE
V
138
R
-
SER
A
675
L
H
HIS
V
129
R
-
SER
A
675
L
H
GLU
V
130
R
-
SER
A
675
L
H
TYR
V
131
R
-
SER
A
675
L
-
ALA
V
132
R
-
SER
A
675
L
-
ARG
V
134
A1IGU5_Q96AX2.1
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
N
LEU
A
231
L
H
HH21
ARG
V
216
R
H
CB
LEU
A
231
L
H
NE
ARG
V
216
R
H
CB
LEU
A
231
L
H
HG2
ARG
V
216
R
H
CB
LEU
A
231
L
H
HE
ARG
V
216
R
H
CB
LEU
A
231
L
H
HH21
ARG
V
216
R
H
CG
LEU
A
231
L
H
NE
ARG
V
216
R
H
CG
LEU
A
231
L
H
HG2
ARG
V
216
R
H
CG
LEU
A
231
L
H
HE
ARG
V
216
R
H
CG
LEU
A
231
L
H
HH21
ARG
V
216
R
H
CD1
LEU
A
231
L
H
CA
ARG
V
216
R
H
CD1
LEU
A
231
L
H
C
ARG
V
216
R
H
CD1
LEU
A
231
L
H
CB
ARG
V
216
R
H
CD1
LEU
A
231
L
H
O
ARG
V
216
R
H
CD1
LEU
A
231
L
H
CG
ARG
V
216
R
H
CD1
LEU
A
231
L
H
CD
ARG
V
216
R
H
CD1
LEU
A
231
L
H
NE
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HA
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HB3
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HG2
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HE
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HH21
ARG
V
216
R
H
CD1
LEU
A
231
L
H
HB3
CYS
V
219
R
H
CD1
LEU
A
231
L
H
HG
CYS
V
220
R
H
CD2
LEU
A
231
L
H
SG
CYS
V
220
R
H
CD2
LEU
A
231
L
H
HG
CYS
V
220
R
H
NZ
LYS
A
246
L
-
HE2
MET
V
223
R
-
CG
PRO
A
593
L
H
HG3
GLU
V
90
R
-
CA
PRO
A
595
L
H
OD1
ASN
V
120
R
-
C
PRO
A
595
L
H
HB3
ASP
V
119
R
-
CB
PRO
A
595
L
H
OG
SER
V
116
R
-
CB
PRO
A
595
L
H
HA
SER
V
116
R
-
CB
PRO
A
595
L
H
HG
SER
V
116
R
-
CB
PRO
A
595
L
H
HB2
ASP
V
119
R
-
CB
PRO
A
595
L
H
OD1
ASN
V
120
R
-
CB
PRO
A
595
L
H
HD22
ASN
V
120
R
-
CG
PRO
A
595
L
H
OG
SER
V
116
R
-
CG
PRO
A
595
L
H
HG
SER
V
116
R
-
N
ALA
A
596
L
H
HB3
ASP
V
119
R
-
CA
ALA
A
596
L
H
HB3
ASP
V
119
R
-
C
ALA
A
596
L
H
CB
ASP
V
119
R
-
C
ALA
A
596
L
H
CG
ASP
V
119
R
-
C
ALA
A
596
L
H
HB2
ASP
V
119
R
-
C
ALA
A
596
L
H
HB3
ASP
V
119
R
-
O
ALA
A
596
L
H
CA
ASP
V
119
R
-
O
ALA
A
596
L
H
C
ASP
V
119
R
-
O
ALA
A
596
L
H
CB
ASP
V
119
R
-
O
ALA
A
596
L
H
O
ASP
V
119
R
-
O
ALA
A
596
L
H
CG
ASP
V
119
R
-
O
ALA
A
596
L
H
OD1
ASP
V
119
R
-
O
ALA
A
596
L
H
OD2
ASP
V
119
R
-
O
ALA
A
596
L
H
HA
ASP
V
119
R
-
O
ALA
A
596
L
H
HB2
ASP
V
119
R
-
O
ALA
A
596
L
H
HB3
ASP
V
119
R
-
N
LEU
A
597
L
H
HB3
ASP
V
119
R
-
CA
LEU
A
597
L
H
HZ2
LYS
V
115
R
-
CA
LEU
A
597
L
H
CG
ASP
V
119
R
-
CA
LEU
A
597
L
H
OD1
ASP
V
119
R
-
CA
LEU
A
597
L
H
OD2
ASP
V
119
R
-
CA
LEU
A
597
L
H
HB3
ASP
V
119
R
-
C
LEU
A
597
L
H
OD1
ASP
V
119
R
-
CB
LEU
A
597
L
H
HZ2
LYS
V
115
R
-
CG
LEU
A
597
L
H
NZ
LYS
V
115
R
-
CG
LEU
A
597
L
H
HZ1
LYS
V
115
R
-
CG
LEU
A
597
L
H
HZ2
LYS
V
115
R
-
CD1
LEU
A
597
L
H
HZ2
LYS
V
115
R
-
CD2
LEU
A
597
L
H
HZ2
LYS
V
115
R
-
N
VAL
A
598
L
H
HZ3
LYS
V
115
R
-
N
VAL
A
598
L
H
CG
ASP
V
119
R
-
N
VAL
A
598
L
H
OD1
ASP
V
119
R
-
N
VAL
A
598
L
H
HA
ASP
V
119
R
-
CA
VAL
A
598
L
H
OD1
ASP
V
119
R
-
CA
VAL
A
598
L
H
HE
ARG
V
122
R
-
C
VAL
A
598
L
H
HE1
PHE
V
118
R
-
CB
VAL
A
598
L
H
CD1
PHE
V
118
R
-
CB
VAL
A
598
L
H
CE1
PHE
V
118
R
-
CB
VAL
A
598
L
H
HD1
PHE
V
118
R
-
CB
VAL
A
598
L
H
HE1
PHE
V
118
R
-
CB
VAL
A
598
L
H
OD1
ASP
V
119
R
-
CB
VAL
A
598
L
H
HA
ASP
V
119
R
-
CB
VAL
A
598
L
H
NE
ARG
V
122
R
-
CB
VAL
A
598
L
H
HE
ARG
V
122
R
-
CB
VAL
A
598
L
H
HH21
ARG
V
122
R
-
O
VAL
A
598
L
H
HZ3
LYS
V
115
R
-
O
VAL
A
598
L
H
HE1
PHE
V
118
R
-
CG1
VAL
A
598
L
H
CE1
PHE
V
118
R
-
CG1
VAL
A
598
L
H
CZ
PHE
V
118
R
-
CG1
VAL
A
598
L
H
HE1
PHE
V
118
R
-
CG1
VAL
A
598
L
H
HZ
PHE
V
118
R
-
CG1
VAL
A
598
L
H
NE
ARG
V
122
R
-
CG1
VAL
A
598
L
H
NH2
ARG
V
122
R
-
CG1
VAL
A
598
L
H
CZ
ARG
V
122
R
-
CG1
VAL
A
598
L
H
HE
ARG
V
122
R
-
CG1
VAL
A
598
L
H
HH21
ARG
V
122
R
-
CG1
VAL
A
598
L
H
HB2
LEU
V
161
R
-
CG1
VAL
A
598
L
H
HD13
LEU
V
161
R
-
CG1
VAL
A
598
L
H
HD23
LEU
V
161
R
-
CG2
VAL
A
598
L
H
O
PHE
V
118
R
-
CG2
VAL
A
598
L
H
CA
ASP
V
119
R
-
CG2
VAL
A
598
L
H
O
ASP
V
119
R
-
CG2
VAL
A
598
L
H
HA
ASP
V
119
R
-
CG2
VAL
A
598
L
H
CG
ARG
V
122
R
-
CG2
VAL
A
598
L
H
CD
ARG
V
122
R
-
CG2
VAL
A
598
L
H
NE
ARG
V
122
R
-
CG2
VAL
A
598
L
H
HG2
ARG
V
122
R
-
CG2
VAL
A
598
L
H
HD2
ARG
V
122
R
-
CG2
VAL
A
598
L
H
HE
ARG
V
122
R
-
CG2
VAL
A
598
L
H
HD23
LEU
V
161
R
-
CD
PRO
A
599
L
H
NH2
ARG
V
122
R
-
CD
PRO
A
599
L
H
HE
ARG
V
122
R
-
CD
PRO
A
599
L
H
HH21
ARG
V
122
R
-
CA
SER
A
600
L
H
CG
ASP
V
157
R
-
CA
SER
A
600
L
H
OD1
ASP
V
157
R
-
C
SER
A
600
L
H
OD1
ASP
V
157
R
-
CB
SER
A
600
L
H
CG
ASP
V
157
R
-
CB
SER
A
600
L
H
OD1
ASP
V
157
R
-
CB
SER
A
600
L
H
OD2
ASP
V
157
R
-
N
ILE
A
601
L
H
OD1
ASP
V
157
R
-
CB
ILE
A
601
L
H
OG1
THR
V
160
R
-
CB
ILE
A
601
L
H
HG21
THR
V
160
R
-
O
ILE
A
601
L
H
CB
GLU
V
156
R
-
O
ILE
A
601
L
H
HB2
GLU
V
156
R
-
O
ILE
A
601
L
H
HB3
GLU
V
156
R
-
O
ILE
A
601
L
H
OD1
ASP
V
157
R
-
O
ILE
A
601
L
H
HA
ASP
V
157
R
-
O
ILE
A
601
L
H
HG1
THR
V
160
R
-
CG1
ILE
A
601
L
H
HG21
THR
V
160
R
-
CD1
ILE
A
601
L
H
CG2
THR
V
160
R
-
CD1
ILE
A
601
L
H
HG21
THR
V
160
R
-
CD1
ILE
A
601
L
H
HG22
THR
V
160
R
-
CD1
ILE
A
601
L
H
HG23
THR
V
160
R
-
CA
PRO
A
602
L
-
NH1
ARG
V
154
R
-
CA
PRO
A
602
L
-
NH2
ARG
V
154
R
-
CA
PRO
A
602
L
-
CZ
ARG
V
154
R
-
CA
PRO
A
602
L
-
HH12
ARG
V
154
R
-
CA
PRO
A
602
L
-
HH22
ARG
V
154
R
-
C
PRO
A
602
L
-
HH22
ARG
V
154
R
-
C
PRO
A
602
L
H
HB3
GLU
V
156
R
-
C
PRO
A
602
L
H
HG2
GLU
V
156
R
-
CB
PRO
A
602
L
-
NH1
ARG
V
154
R
-
CB
PRO
A
602
L
-
NH2
ARG
V
154
R
-
CB
PRO
A
602
L
-
CZ
ARG
V
154
R
-
CB
PRO
A
602
L
-
HH11
ARG
V
154
R
-
CB
PRO
A
602
L
-
HH12
ARG
V
154
R
-
CB
PRO
A
602
L
-
HH22
ARG
V
154
R
-
CG
PRO
A
602
L
-
HH12
ARG
V
154
R
-
N
THR
A
603
L
-
NH2
ARG
V
154
R
-
N
THR
A
603
L
-
HH21
ARG
V
154
R
-
N
THR
A
603
L
-
HH22
ARG
V
154
R
-
N
THR
A
603
L
H
CB
GLU
V
156
R
-
N
THR
A
603
L
H
CG
GLU
V
156
R
-
N
THR
A
603
L
H
CD
GLU
V
156
R
-
N
THR
A
603
L
H
HB2
GLU
V
156
R
-
N
THR
A
603
L
H
HB3
GLU
V
156
R
-
N
THR
A
603
L
H
HG2
GLU
V
156
R
-
N
THR
A
603
L
H
HG3
GLU
V
156
R
-
CA
THR
A
603
L
H
CB
GLU
V
156
R
-
CA
THR
A
603
L
H
CG
GLU
V
156
R
-
CA
THR
A
603
L
H
CD
GLU
V
156
R
-
CA
THR
A
603
L
H
HB2
GLU
V
156
R
-
CA
THR
A
603
L
H
HB3
GLU
V
156
R
-
CA
THR
A
603
L
H
HG2
GLU
V
156
R
-
CA
THR
A
603
L
H
HG3
GLU
V
156
R
-
C
THR
A
603
L
-
HH22
ARG
V
154
R
-
C
THR
A
603
L
H
CG
GLU
V
156
R
-
C
THR
A
603
L
H
HG2
GLU
V
156
R
-
C
THR
A
603
L
H
HG3
GLU
V
156
R
-
CB
THR
A
603
L
H
CA
GLU
V
156
R
-
CB
THR
A
603
L
H
CB
GLU
V
156
R
-
CB
THR
A
603
L
H
CG
GLU
V
156
R
-
CB
THR
A
603
L
H
CD
GLU
V
156
R
-
CB
THR
A
603
L
H
OE1
GLU
V
156
R
-
CB
THR
A
603
L
H
OE2
GLU
V
156
R
-
CB
THR
A
603
L
H
HA
GLU
V
156
R
-
CB
THR
A
603
L
H
HB2
GLU
V
156
R
-
CB
THR
A
603
L
H
HB3
GLU
V
156
R
-
CB
THR
A
603
L
H
HG2
GLU
V
156
R
-
CB
THR
A
603
L
H
HG3
GLU
V
156
R
-
O
THR
A
603
L
-
HH21
ARG
V
154
R
-
O
THR
A
603
L
-
HH22
ARG
V
154
R
-
O
THR
A
603
L
H
CG
GLU
V
156
R
-
O
THR
A
603
L
H
CD
GLU
V
156
R
-
O
THR
A
603
L
H
OE1
GLU
V
156
R
-
O
THR
A
603
L
H
HG2
GLU
V
156
R
-
O
THR
A
603
L
H
HG3
GLU
V
156
R
-
CG2
THR
A
603
L
H
CA
GLU
V
156
R
-
CG2
THR
A
603
L
H
C
GLU
V
156
R
-
CG2
THR
A
603
L
H
CB
GLU
V
156
R
-
CG2
THR
A
603
L
H
O
GLU
V
156
R
-
CG2
THR
A
603
L
H
CG
GLU
V
156
R
-
CG2
THR
A
603
L
H
HA
GLU
V
156
R
-
CG2
THR
A
603
L
H
HB2
GLU
V
156
R
-
CG2
THR
A
603
L
H
HB3
GLU
V
156
R
-
CG2
THR
A
603
L
H
HG2
GLU
V
156
R
-
CG2
THR
A
603
L
H
HG3
GLU
V
156
R
-
CG2
THR
A
603
L
H
HB2
GLU
V
159
R
-
OG1
THR
A
603
L
-
HH21
ARG
V
154
R
-
OG1
THR
A
603
L
H
N
GLU
V
156
R
-
OG1
THR
A
603
L
H
CA
GLU
V
156
R
-
OG1
THR
A
603
L
H
C
GLU
V
156
R
-
OG1
THR
A
603
L
H
CB
GLU
V
156
R
-
OG1
THR
A
603
L
H
CG
GLU
V
156
R
-
OG1
THR
A
603
L
H
CD
GLU
V
156
R
-
OG1
THR
A
603
L
H
OE1
GLU
V
156
R
-
OG1
THR
A
603
L
H
OE2
GLU
V
156
R
-
OG1
THR
A
603
L
H
H
GLU
V
156
R
-
OG1
THR
A
603
L
H
HA
GLU
V
156
R
-
OG1
THR
A
603
L
H
HB2
GLU
V
156
R
-
OG1
THR
A
603
L
H
HB3
GLU
V
156
R
-
OG1
THR
A
603
L
H
HG2
GLU
V
156
R
-
OG1
THR
A
603
L
H
HG3
GLU
V
156
R
-
N
MET
A
604
L
H
HG2
GLU
V
156
R
-
CA
ALA
A
634
L
H
CE1
PHE
V
222
R
-
CA
ALA
A
634
L
H
CZ
PHE
V
222
R
-
CA
ALA
A
634
L
H
HE1
PHE
V
222
R
-
CA
ALA
A
634
L
H
HZ
PHE
V
222
R
-
C
ALA
A
634
L
H
CE1
PHE
V
222
R
-
C
ALA
A
634
L
H
HE1
PHE
V
222
R
-
C
ALA
A
634
L
H
HZ
PHE
V
222
R
-
CB
ALA
A
634
L
H
CE1
PHE
V
222
R
-
CB
ALA
A
634
L
H
CZ
PHE
V
222
R
-
CB
ALA
A
634
L
H
HE1
PHE
V
222
R
-
CB
ALA
A
634
L
H
HZ
PHE
V
222
R
-
O
ALA
A
634
L
H
CD1
PHE
V
222
R
-
O
ALA
A
634
L
H
CE1
PHE
V
222
R
-
O
ALA
A
634
L
H
CZ
PHE
V
222
R
-
O
ALA
A
634
L
H
HD1
PHE
V
222
R
-
O
ALA
A
634
L
H
HE1
PHE
V
222
R
-
O
ALA
A
634
L
H
HZ
PHE
V
222
R
-
N
GLN
A
635
L
H
HE1
PHE
V
222
R
-
CA
PRO
A
641
L
H
HA
PHE
V
222
R
-
CA
PRO
A
641
L
H
HD1
PHE
V
222
R
-
C
PRO
A
641
L
H
CD1
PHE
V
222
R
-
C
PRO
A
641
L
H
HA
PHE
V
222
R
-
C
PRO
A
641
L
H
HD1
PHE
V
222
R
-
CB
PRO
A
641
L
H
O
SER
V
221
R
-
CB
PRO
A
641
L
H
CA
PHE
V
222
R
-
CB
PRO
A
641
L
H
C
PHE
V
222
R
-
CB
PRO
A
641
L
H
CD1
PHE
V
222
R
-
CB
PRO
A
641
L
H
HA
PHE
V
222
R
-
CB
PRO
A
641
L
H
HD1
PHE
V
222
R
-
O
PRO
A
641
L
H
CA
PHE
V
222
R
-
O
PRO
A
641
L
H
CB
PHE
V
222
R
-
O
PRO
A
641
L
H
O
PHE
V
222
R
-
O
PRO
A
641
L
H
CG
PHE
V
222
R
-
O
PRO
A
641
L
H
CD1
PHE
V
222
R
-
O
PRO
A
641
L
H
CE1
PHE
V
222
R
-
O
PRO
A
641
L
H
HA
PHE
V
222
R
-
O
PRO
A
641
L
H
HB3
PHE
V
222
R
-
O
PRO
A
641
L
H
HD1
PHE
V
222
R
-
O
PRO
A
641
L
H
HE1
PHE
V
222
R
-
CG
PRO
A
641
L
H
O
SER
V
221
R
-
CG
PRO
A
641
L
H
CA
PHE
V
222
R
-
CG
PRO
A
641
L
H
C
PHE
V
222
R
-
CG
PRO
A
641
L
H
HA
PHE
V
222
R
-
CG
PRO
A
641
L
-
N
MET
V
223
R
-
N
GLU
A
642
L
H
HD1
PHE
V
222
R
-
CG
GLU
A
642
L
H
O
PHE
V
222
R
-
CG
GLU
A
642
L
-
HA
MET
V
223
R
-
OE1
GLU
A
642
L
-
HG2
MET
V
223
R
S
O
TRP
A
643
L
H
HE1
PHE
V
222
R
S
OG
SER
A
644
L
H
CE1
PHE
V
222
R
S
OG
SER
A
644
L
H
HE1
PHE
V
222
R
H
CB
SER
A
657
L
H
CD1
PHE
V
222
R
H
CB
SER
A
657
L
H
CE1
PHE
V
222
R
H
CB
SER
A
657
L
H
HB3
PHE
V
222
R
H
CB
SER
A
657
L
H
HD1
PHE
V
222
R
H
CB
SER
A
657
L
H
HE1
PHE
V
222
R
H
OG
SER
A
657
L
H
CD1
PHE
V
222
R
H
OG
SER
A
657
L
H
CE1
PHE
V
222
R
H
OG
SER
A
657
L
H
HD1
PHE
V
222
R
H
OG
SER
A
657
L
H
HE1
PHE
V
222
R
S
NE
ARG
A
662
L
H
HG
SER
V
218
R
S
NH1
ARG
A
662
L
H
OG
SER
V
218
R
S
NH1
ARG
A
662
L
H
HB2
SER
V
218
R
S
NH1
ARG
A
662
L
H
HG
SER
V
218
R
S
NH2
ARG
A
662
L
H
CB
SER
V
218
R
S
NH2
ARG
A
662
L
H
OG
SER
V
218
R
S
NH2
ARG
A
662
L
H
HB2
SER
V
218
R
S
NH2
ARG
A
662
L
H
HG
SER
V
218
R
S
CZ
ARG
A
662
L
H
OG
SER
V
218
R
S
CZ
ARG
A
662
L
H
HG
SER
V
218
R
-
CG
ARG
A
664
L
H
HZ1
LYS
V
215
R
-
CG
ARG
A
664
L
H
HZ3
LYS
V
215
R
-
CD
ARG
A
664
L
H
HZ1
LYS
V
215
R
-
CD
ARG
A
664
L
H
HZ3
LYS
V
215
R
-
NE
ARG
A
664
L
H
NZ
LYS
V
215
R
-
NE
ARG
A
664
L
H
HZ1
LYS
V
215
R
-
NE
ARG
A
664
L
H
HZ2
LYS
V
215
R
-
NE
ARG
A
664
L
H
HZ3
LYS
V
215
R
-
NH2
ARG
A
664
L
H
HZ3
LYS
V
215
R
-
CZ
ARG
A
664
L
H
HZ3
LYS
V
215
R
-
CB
SER
A
665
L
H
HH22
ARG
V
163
R
-
OG
SER
A
665
L
H
NH1
ARG
V
163
R
-
OG
SER
A
665
L
H
NH2
ARG
V
163
R
-
OG
SER
A
665
L
H
CZ
ARG
V
163
R
-
OG
SER
A
665
L
H
HH12
ARG
V
163
R
-
OG
SER
A
665
L
H
HH22
ARG
V
163
R
-
O
PRO
A
666
L
H
HD3
ARG
V
163
R
-
C
VAL
A
667
L
H
HD3
ARG
V
163
R
-
N
LEU
A
668
L
H
CG
ARG
V
163
R
-
N
LEU
A
668
L
H
CD
ARG
V
163
R
-
N
LEU
A
668
L
H
HG2
ARG
V
163
R
-
N
LEU
A
668
L
H
HG3
ARG
V
163
R
-
N
LEU
A
668
L
H
HD3
ARG
V
163
R
-
CA
LEU
A
668
L
H
CG
ARG
V
163
R
-
CA
LEU
A
668
L
H
CD
ARG
V
163
R
-
CA
LEU
A
668
L
H
HG2
ARG
V
163
R
-
CA
LEU
A
668
L
H
HG3
ARG
V
163
R
-
CA
LEU
A
668
L
H
HD3
ARG
V
163
R
-
C
LEU
A
668
L
H
CG
ARG
V
163
R
-
C
LEU
A
668
L
H
HG2
ARG
V
163
R
-
C
LEU
A
668
L
H
HG3
ARG
V
163
R
-
C
LEU
A
668
L
H
HD3
ARG
V
163
R
-
CB
LEU
A
668
L
H
CG
ARG
V
163
R
-
CB
LEU
A
668
L
H
CD
ARG
V
163
R
-
CB
LEU
A
668
L
H
HG2
ARG
V
163
R
-
CB
LEU
A
668
L
H
HG3
ARG
V
163
R
-
CB
LEU
A
668
L
H
HD2
ARG
V
163
R
-
CB
LEU
A
668
L
H
HD3
ARG
V
163
R
-
O
LEU
A
668
L
H
O
ARG
V
163
R
-
O
LEU
A
668
L
H
CG
ARG
V
163
R
-
O
LEU
A
668
L
H
CD
ARG
V
163
R
-
O
LEU
A
668
L
H
HA
ARG
V
163
R
-
O
LEU
A
668
L
H
HG2
ARG
V
163
R
-
O
LEU
A
668
L
H
HG3
ARG
V
163
R
-
O
LEU
A
668
L
H
HD3
ARG
V
163
R
-
O
LEU
A
668
L
H
NH1
ARG
V
207
R
-
O
LEU
A
668
L
H
HH11
ARG
V
207
R
-
O
LEU
A
668
L
H
HH12
ARG
V
207
R
-
CG
LEU
A
668
L
H
HD3
ARG
V
163
R
-
CD1
LEU
A
668
L
H
HD2
ARG
V
163
R
-
CD1
LEU
A
668
L
H
HD3
ARG
V
163
R
-
CD1
LEU
A
668
L
H
HH11
ARG
V
163
R
-
N
TRP
A
669
L
H
HH12
ARG
V
207
R
-
CA
TRP
A
669
L
H
NH1
ARG
V
207
R
-
CA
TRP
A
669
L
H
HH12
ARG
V
207
R
-
C
TRP
A
669
L
H
HH12
ARG
V
207
R
-
C
TRP
A
669
L
H
HH22
ARG
V
207
R
-
CE2
TRP
A
669
L
-
HE22
GLN
V
205
R
-
CH2
TRP
A
669
L
-
CD
GLN
V
205
R
-
CH2
TRP
A
669
L
-
NE2
GLN
V
205
R
-
CH2
TRP
A
669
L
-
OE1
GLN
V
205
R
-
CH2
TRP
A
669
L
-
HE21
GLN
V
205
R
-
CH2
TRP
A
669
L
-
HE22
GLN
V
205
R
-
CZ2
TRP
A
669
L
-
CD
GLN
V
205
R
-
CZ2
TRP
A
669
L
-
NE2
GLN
V
205
R
-
CZ2
TRP
A
669
L
-
OE1
GLN
V
205
R
-
CZ2
TRP
A
669
L
-
HE22
GLN
V
205
R
-
CZ3
TRP
A
669
L
-
HE22
GLN
V
205
R
-
N
GLY
A
670
L
-
HA2
GLY
V
166
R
-
N
GLY
A
670
L
-
HA3
GLY
V
166
R
-
N
GLY
A
670
L
H
NH1
ARG
V
207
R
-
N
GLY
A
670
L
H
NH2
ARG
V
207
R
-
N
GLY
A
670
L
H
HH12
ARG
V
207
R
-
N
GLY
A
670
L
H
HH22
ARG
V
207
R
-
CA
GLY
A
670
L
-
CA
GLY
V
166
R
-
CA
GLY
A
670
L
-
HA2
GLY
V
166
R
-
CA
GLY
A
670
L
-
HA3
GLY
V
166
R
-
CA
GLY
A
670
L
H
HH12
ARG
V
207
R
-
CA
GLY
A
670
L
H
HH22
ARG
V
207
R
-
C
GLY
A
670
L
H
C
TYR
V
165
R
-
C
GLY
A
670
L
H
O
TYR
V
165
R
-
C
GLY
A
670
L
-
N
GLY
V
166
R
-
C
GLY
A
670
L
-
CA
GLY
V
166
R
-
C
GLY
A
670
L
-
H
GLY
V
166
R
-
C
GLY
A
670
L
-
HA2
GLY
V
166
R
-
C
GLY
A
670
L
-
HA3
GLY
V
166
R
-
C
GLY
A
670
L
H
NH2
ARG
V
207
R
-
C
GLY
A
670
L
H
HH12
ARG
V
207
R
-
C
GLY
A
670
L
H
HH21
ARG
V
207
R
-
C
GLY
A
670
L
H
HH22
ARG
V
207
R
-
O
GLY
A
670
L
H
O
ARG
V
163
R
-
O
GLY
A
670
L
H
CA
TYR
V
165
R
-
O
GLY
A
670
L
H
C
TYR
V
165
R
-
O
GLY
A
670
L
H
O
TYR
V
165
R
-
O
GLY
A
670
L
-
N
GLY
V
166
R
-
O
GLY
A
670
L
-
CA
GLY
V
166
R
-
O
GLY
A
670
L
-
C
GLY
V
166
R
-
O
GLY
A
670
L
-
O
GLY
V
166
R
-
O
GLY
A
670
L
-
H
GLY
V
166
R
-
O
GLY
A
670
L
-
HA2
GLY
V
166
R
-
O
GLY
A
670
L
-
HA3
GLY
V
166
R
-
O
GLY
A
670
L
H
NH2
ARG
V
207
R
-
O
GLY
A
670
L
H
HH12
ARG
V
207
R
-
O
GLY
A
670
L
H
HH21
ARG
V
207
R
-
O
GLY
A
670
L
H
HH22
ARG
V
207
R
-
N
TRP
A
671
L
-
CA
GLY
V
166
R
-
N
TRP
A
671
L
-
HA2
GLY
V
166
R
-
N
TRP
A
671
L
-
HA3
GLY
V
166
R
-
N
TRP
A
671
L
H
NH2
ARG
V
207
R
-
N
TRP
A
671
L
H
HH21
ARG
V
207
R
-
N
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CA
TRP
A
671
L
-
CA
GLY
V
166
R
-
CA
TRP
A
671
L
-
O
GLY
V
166
R
-
CA
TRP
A
671
L
-
HA3
GLY
V
166
R
-
CA
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CA
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CA
TRP
A
671
L
H
HH22
ARG
V
207
R
-
C
TRP
A
671
L
H
O
TYR
V
165
R
-
C
TRP
A
671
L
-
HA3
GLY
V
166
R
-
CB
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CB
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CB
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CG
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CG
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CG
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CD1
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CD1
TRP
A
671
L
H
CZ
ARG
V
207
R
-
CD1
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CD1
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CD2
TRP
A
671
L
-
O
GLY
V
166
R
-
CD2
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CD2
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CD2
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CE2
TRP
A
671
L
H
NH2
ARG
V
207
R
-
CE2
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CE2
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CE3
TRP
A
671
L
H
HH21
ARG
V
207
R
-
NE1
TRP
A
671
L
H
NH2
ARG
V
207
R
-
NE1
TRP
A
671
L
H
CZ
ARG
V
207
R
-
NE1
TRP
A
671
L
H
HH21
ARG
V
207
R
-
NE1
TRP
A
671
L
H
HH22
ARG
V
207
R
-
CH2
TRP
A
671
L
H
HH21
ARG
V
194
R
-
CH2
TRP
A
671
L
H
HG23
ILE
V
206
R
-
CH2
TRP
A
671
L
H
HG3
ARG
V
207
R
-
CZ2
TRP
A
671
L
H
HG23
ILE
V
206
R
-
CZ2
TRP
A
671
L
H
HG3
ARG
V
207
R
-
CZ2
TRP
A
671
L
H
HH21
ARG
V
207
R
-
CZ3
TRP
A
671
L
H
NH2
ARG
V
194
R
-
CZ3
TRP
A
671
L
H
HH21
ARG
V
194
R
-
CZ3
TRP
A
671
L
H
HH22
ARG
V
194
R
-
N
SER
A
672
L
H
O
TYR
V
165
R
-
N
SER
A
672
L
-
HA3
GLY
V
166
R
-
CA
SER
A
672
L
H
O
TYR
V
165
R
-
C
SER
A
672
L
H
HE1
HIS
V
129
R
-
CB
SER
A
672
L
H
O
TYR
V
165
R
-
O
SER
A
672
L
S
HD11
ILE
V
138
R
-
OG
SER
A
672
L
H
CA
TYR
V
165
R
-
OG
SER
A
672
L
H
C
TYR
V
165
R
-
OG
SER
A
672
L
H
O
TYR
V
165
R
-
OG
SER
A
672
L
H
CD1
TYR
V
165
R
-
OG
SER
A
672
L
H
HA
TYR
V
165
R
-
OG
SER
A
672
L
H
HB3
TYR
V
165
R
-
OG
SER
A
672
L
H
HD1
TYR
V
165
R
-
N
LEU
A
673
L
H
HE1
HIS
V
129
R
-
CA
LEU
A
673
L
H
HE1
HIS
V
129
R
-
CA
LEU
A
673
L
-
O
ARG
V
134
R
-
C
LEU
A
673
L
H
ND1
HIS
V
129
R
-
C
LEU
A
673
L
H
CE1
HIS
V
129
R
-
C
LEU
A
673
L
H
HA
HIS
V
129
R
-
C
LEU
A
673
L
H
HE1
HIS
V
129
R
-
C
LEU
A
673
L
-
O
ARG
V
134
R
-
C
LEU
A
673
L
-
HA
ARG
V
134
R
-
CB
LEU
A
673
L
-
C
ARG
V
134
R
-
CB
LEU
A
673
L
-
O
ARG
V
134
R
-
CB
LEU
A
673
L
-
HA
ARG
V
134
R
-
CB
LEU
A
673
L
-
HB3
ARG
V
134
R
-
O
LEU
A
673
L
H
CG
HIS
V
129
R
-
O
LEU
A
673
L
H
ND1
HIS
V
129
R
-
O
LEU
A
673
L
H
CE1
HIS
V
129
R
-
O
LEU
A
673
L
H
NE2
HIS
V
129
R
-
O
LEU
A
673
L
H
HA
HIS
V
129
R
-
O
LEU
A
673
L
H
HE1
HIS
V
129
R
-
CG
LEU
A
673
L
-
C
ARG
V
134
R
-
CG
LEU
A
673
L
-
O
ARG
V
134
R
-
CG
LEU
A
673
L
-
HA
ASP
V
135
R
-
CD1
LEU
A
673
L
-
O
ARG
V
134
R
-
CD2
LEU
A
673
L
-
C
ARG
V
134
R
-
CD2
LEU
A
673
L
-
O
ARG
V
134
R
-
CD2
LEU
A
673
L
-
HB3
ARG
V
134
R
-
CD2
LEU
A
673
L
-
N
ASP
V
135
R
-
CD2
LEU
A
673
L
-
CA
ASP
V
135
R
-
CD2
LEU
A
673
L
-
C
ASP
V
135
R
-
CD2
LEU
A
673
L
-
HA
ASP
V
135
R
-
CD2
LEU
A
673
L
-
HB3
ASP
V
135
R
-
N
PRO
A
674
L
H
ND1
HIS
V
129
R
-
N
PRO
A
674
L
H
HA
HIS
V
129
R
-
N
PRO
A
674
L
-
O
ARG
V
134
R
-
N
PRO
A
674
L
-
HA
ARG
V
134
R
-
N
PRO
A
674
L
-
HG11
VAL
V
136
R
-
CA
PRO
A
674
L
H
O
ILE
V
128
R
-
CA
PRO
A
674
L
H
CA
HIS
V
129
R
-
CA
PRO
A
674
L
H
C
HIS
V
129
R
-
CA
PRO
A
674
L
H
O
HIS
V
129
R
-
CA
PRO
A
674
L
H
CG
HIS
V
129
R
-
CA
PRO
A
674
L
H
ND1
HIS
V
129
R
-
CA
PRO
A
674
L
H
HA
HIS
V
129
R
-
CA
PRO
A
674
L
-
HB2
ALA
V
132
R
-
CA
PRO
A
674
L
-
HA
ARG
V
134
R
-
CA
PRO
A
674
L
-
HG11
VAL
V
136
R
-
C
PRO
A
674
L
H
O
HIS
V
129
R
-
C
PRO
A
674
L
H
HA
HIS
V
129
R
-
C
PRO
A
674
L
-
O
ALA
V
132
R
-
C
PRO
A
674
L
-
O
GLN
V
133
R
-
C
PRO
A
674
L
-
CA
ARG
V
134
R
-
C
PRO
A
674
L
-
HA
ARG
V
134
R
-
C
PRO
A
674
L
-
HG3
ARG
V
134
R
-
CB
PRO
A
674
L
H
C
ILE
V
128
R
-
CB
PRO
A
674
L
H
O
ILE
V
128
R
-
CB
PRO
A
674
L
H
CG2
ILE
V
128
R
-
CB
PRO
A
674
L
H
HG21
ILE
V
128
R
-
CB
PRO
A
674
L
H
HG22
ILE
V
128
R
-
CB
PRO
A
674
L
H
N
HIS
V
129
R
-
CB
PRO
A
674
L
H
CA
HIS
V
129
R
-
CB
PRO
A
674
L
H
C
HIS
V
129
R
-
CB
PRO
A
674
L
H
O
HIS
V
129
R
-
CB
PRO
A
674
L
H
HA
HIS
V
129
R
-
CB
PRO
A
674
L
-
C
ALA
V
132
R
-
CB
PRO
A
674
L
-
CB
ALA
V
132
R
-
CB
PRO
A
674
L
-
O
ALA
V
132
R
-
CB
PRO
A
674
L
-
H
ALA
V
132
R
-
CB
PRO
A
674
L
-
HB2
ALA
V
132
R
-
CB
PRO
A
674
L
-
HB3
ALA
V
132
R
-
CB
PRO
A
674
L
-
O
GLN
V
133
R
-
CB
PRO
A
674
L
-
CG1
VAL
V
136
R
-
CB
PRO
A
674
L
-
HG11
VAL
V
136
R
-
CB
PRO
A
674
L
-
HG12
VAL
V
136
R
-
CB
PRO
A
674
L
S
HD12
ILE
V
138
R
-
O
PRO
A
674
L
-
O
ALA
V
132
R
-
O
PRO
A
674
L
-
C
GLN
V
133
R
-
O
PRO
A
674
L
-
O
GLN
V
133
R
-
O
PRO
A
674
L
-
N
ARG
V
134
R
-
O
PRO
A
674
L
-
CA
ARG
V
134
R
-
O
PRO
A
674
L
-
C
ARG
V
134
R
-
O
PRO
A
674
L
-
CB
ARG
V
134
R
-
O
PRO
A
674
L
-
O
ARG
V
134
R
-
O
PRO
A
674
L
-
CG
ARG
V
134
R
-
O
PRO
A
674
L
-
H
ARG
V
134
R
-
O
PRO
A
674
L
-
HA
ARG
V
134
R
-
O
PRO
A
674
L
-
HB3
ARG
V
134
R
-
O
PRO
A
674
L
-
HG2
ARG
V
134
R
-
O
PRO
A
674
L
-
HG3
ARG
V
134
R
-
CG
PRO
A
674
L
H
O
ILE
V
128
R
-
CG
PRO
A
674
L
H
CG2
ILE
V
128
R
-
CG
PRO
A
674
L
H
HG21
ILE
V
128
R
-
CG
PRO
A
674
L
H
HG22
ILE
V
128
R
-
CG
PRO
A
674
L
H
HA
HIS
V
129
R
-
CG
PRO
A
674
L
-
CB
ALA
V
132
R
-
CG
PRO
A
674
L
-
HB2
ALA
V
132
R
-
CG
PRO
A
674
L
-
O
GLN
V
133
R
-
CG
PRO
A
674
L
-
CB
VAL
V
136
R
-
CG
PRO
A
674
L
-
CG1
VAL
V
136
R
-
CG
PRO
A
674
L
-
H
VAL
V
136
R
-
CG
PRO
A
674
L
-
HB
VAL
V
136
R
-
CG
PRO
A
674
L
-
HG11
VAL
V
136
R
-
CG
PRO
A
674
L
-
HG12
VAL
V
136
R
-
CG
PRO
A
674
L
-
HG13
VAL
V
136
R
-
CG
PRO
A
674
L
S
HD12
ILE
V
138
R
-
CD
PRO
A
674
L
-
O
GLN
V
133
R
-
CD
PRO
A
674
L
-
C
ARG
V
134
R
-
CD
PRO
A
674
L
-
O
ARG
V
134
R
-
CD
PRO
A
674
L
-
HA
ARG
V
134
R
-
CD
PRO
A
674
L
-
CG1
VAL
V
136
R
-
CD
PRO
A
674
L
-
H
VAL
V
136
R
-
CD
PRO
A
674
L
-
HG11
VAL
V
136
R
-
CD
PRO
A
674
L
-
HG12
VAL
V
136
R
-
CD
PRO
A
674
L
-
HG13
VAL
V
136
R
-
CD
PRO
A
674
L
S
HD12
ILE
V
138
R
-
N
SER
A
675
L
H
CA
HIS
V
129
R
-
N
SER
A
675
L
H
C
HIS
V
129
R
-
N
SER
A
675
L
H
O
HIS
V
129
R
-
N
SER
A
675
L
H
ND1
HIS
V
129
R
-
N
SER
A
675
L
H
HA
HIS
V
129
R
-
N
SER
A
675
L
-
HA
ARG
V
134
R
-
N
SER
A
675
L
-
HG3
ARG
V
134
R
-
CA
SER
A
675
L
H
O
HIS
V
129
R
-
CA
SER
A
675
L
-
CG
ARG
V
134
R
-
CA
SER
A
675
L
-
HA
ARG
V
134
R
-
CA
SER
A
675
L
-
HG2
ARG
V
134
R
-
CA
SER
A
675
L
-
HG3
ARG
V
134
R
-
CA
SER
A
675
L
-
HE
ARG
V
134
R
-
C
SER
A
675
L
H
O
HIS
V
129
R
-
C
SER
A
675
L
H
O
GLU
V
130
R
-
C
SER
A
675
L
-
O
ALA
V
132
R
-
C
SER
A
675
L
-
HG2
ARG
V
134
R
-
C
SER
A
675
L
-
HG3
ARG
V
134
R
-
CB
SER
A
675
L
H
O
HIS
V
129
R
-
CB
SER
A
675
L
H
HA
GLU
V
130
R
-
O
SER
A
675
L
H
C
HIS
V
129
R
-
O
SER
A
675
L
H
O
HIS
V
129
R
-
O
SER
A
675
L
H
C
GLU
V
130
R
-
O
SER
A
675
L
H
O
GLU
V
130
R
-
O
SER
A
675
L
H
N
TYR
V
131
R
-
O
SER
A
675
L
H
C
TYR
V
131
R
-
O
SER
A
675
L
H
HA
TYR
V
131
R
-
O
SER
A
675
L
-
N
ALA
V
132
R
-
O
SER
A
675
L
-
C
ALA
V
132
R
-
O
SER
A
675
L
-
O
ALA
V
132
R
-
O
SER
A
675
L
-
H
ALA
V
132
R
-
OG
SER
A
675
L
H
O
HIS
V
129
R
-
OG
SER
A
675
L
H
CD2
HIS
V
129
R
-
OG
SER
A
675
L
H
NE2
HIS
V
129
R
-
OG
SER
A
675
L
H
HE2
HIS
V
129
R
-
OXT
SER
A
675
L
-
O
ALA
V
132
R
-
OXT
SER
A
675
L
-
CG
ARG
V
134
R
-
OXT
SER
A
675
L
-
HG2
ARG
V
134
R
-
OXT
SER
A
675
L
-
HG3
ARG
V
134
R
-
OXT
SER
A
675
L
-
HE
ARG
V
134