A1IGU5_Q5JSP0.1
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
-
PRO
A
100
L
H
SER
V
44
R
-
SER
A
101
L
H
GLN
V
155
R
-
PRO
A
102
L
-
VAL
V
153
R
-
PRO
A
102
L
H
GLN
V
155
R
-
PRO
A
102
L
H
HIS
V
47
R
-
PRO
A
102
L
H
MET
V
48
R
-
THR
A
103
L
H
PRO
V
154
R
-
THR
A
103
L
H
HIS
V
47
R
-
THR
A
103
L
H
LEU
V
51
R
-
VAL
A
104
L
H
HIS
V
47
R
-
VAL
A
104
L
H
LEU
V
51
R
-
LEU
A
105
L
H
HIS
V
47
R
-
LEU
A
105
L
H
LEU
V
51
R
-
GLY
A
106
L
H
HIS
V
47
R
-
GLY
A
106
L
H
GLN
V
50
R
-
HIS
A
108
L
H
GLN
V
50
R
-
ALA
A
109
L
H
SER
V
83
R
-
GLU
A
110
L
H
SER
V
83
R
-
GLU
A
110
L
H
ARG
V
84
R
-
MET
A
111
L
H
ARG
V
84
R
-
MET
A
111
L
H
HIS
V
87
R
-
MET
A
111
L
H
ASP
V
88
R
-
ALA
A
112
L
H
PHE
V
110
R
-
ALA
A
112
L
H
ARG
V
84
R
-
ALA
A
112
L
H
HIS
V
87
R
-
ALA
A
112
L
H
ASP
V
88
R
-
LEU
A
113
L
H
GLU
V
109
R
-
LEU
A
113
L
H
PHE
V
110
R
-
LEU
A
113
L
H
ASP
V
88
R
-
ASP
A
114
L
H
GLU
V
109
R
-
ASP
A
114
L
H
ASP
V
88
R
-
ASP
A
114
L
-
LYS
V
95
R
-
SER
A
115
L
H
LEU
V
102
R
-
SER
A
115
L
H
ASN
V
105
R
-
SER
A
115
L
-
LYS
V
95
R
-
GLN
A
116
L
H
LEU
V
102
R
-
GLN
A
116
L
-
LYS
V
95
R
-
GLN
A
116
L
-
GLU
V
98
R
-
VAL
A
117
L
H
GLN
V
101
R
-
VAL
A
117
L
H
LEU
V
102
R
-
VAL
A
117
L
-
SER
V
191
R
-
VAL
A
117
L
-
GLU
V
98
R
-
LYS
A
119
L
-
SER
V
191
R
-
ASP
A
135
L
H
LEU
V
379
R
-
SER
A
136
L
H
LEU
V
378
R
-
SER
A
136
L
H
LEU
V
379
R
-
SER
A
136
L
-
GLY
V
382
R
-
GLU
A
137
L
H
GLU
V
380
R
-
ASN
A
89
L
H
GLU
V
19
R
-
PHE
A
90
L
H
ARG
V
18
R
-
PHE
A
90
L
H
GLU
V
19
R
-
PHE
A
90
L
H
ALA
V
22
R
-
PHE
A
90
L
H
SER
V
23
R
-
PHE
A
90
L
H
ARG
V
26
R
-
PRO
A
91
L
H
SER
V
23
R
-
PRO
A
91
L
H
ARG
V
26
R
-
CYS
A
92
L
H
ARG
V
26
R
-
GLU
A
93
L
H
GLU
V
184
R
-
GLU
A
93
L
H
ASN
V
185
R
-
GLU
A
93
L
H
SER
V
27
R
-
GLU
A
93
L
H
HIS
V
30
R
-
GLU
A
94
L
H
GLU
V
184
R
-
GLU
A
94
L
H
ASN
V
185
R
-
GLY
A
95
L
H
LYS
V
181
R
-
GLY
A
95
L
H
ASN
V
185
R
-
LEU
A
96
L
H
LYS
V
181
R
-
GLU
A
97
L
H
LEU
V
177
R
-
GLU
A
97
L
H
LEU
V
178
R
-
GLU
A
97
L
H
LYS
V
181
R
-
GLU
A
97
L
H
GLU
V
37
R
-
ALA
A
98
L
H
GLU
V
37
R
-
ALA
A
98
L
H
THR
V
41
R
-
GLY
A
99
L
H
ARG
V
174
A1IGU5_Q5JSP0.1
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
-
O
ASN
A
89
L
H
HG2
GLU
V
19
R
-
C
PHE
A
90
L
H
HH11
ARG
V
26
R
-
O
PHE
A
90
L
H
NH1
ARG
V
26
R
-
O
PHE
A
90
L
H
HH11
ARG
V
26
R
-
O
PHE
A
90
L
H
HH12
ARG
V
26
R
-
CG
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CG
PHE
A
90
L
H
HB2
ALA
V
22
R
-
CD1
PHE
A
90
L
H
HA
GLU
V
19
R
-
CD1
PHE
A
90
L
H
C
ALA
V
22
R
-
CD1
PHE
A
90
L
H
CB
ALA
V
22
R
-
CD1
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CD1
PHE
A
90
L
H
HB2
ALA
V
22
R
-
CD1
PHE
A
90
L
H
HB3
ALA
V
22
R
-
CD2
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CE1
PHE
A
90
L
H
O
ARG
V
18
R
-
CE1
PHE
A
90
L
H
CA
GLU
V
19
R
-
CE1
PHE
A
90
L
H
O
GLU
V
19
R
-
CE1
PHE
A
90
L
H
HA
GLU
V
19
R
-
CE1
PHE
A
90
L
H
HG2
GLU
V
19
R
-
CE1
PHE
A
90
L
H
CA
ALA
V
22
R
-
CE1
PHE
A
90
L
H
C
ALA
V
22
R
-
CE1
PHE
A
90
L
H
CB
ALA
V
22
R
-
CE1
PHE
A
90
L
H
H
ALA
V
22
R
-
CE1
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CE1
PHE
A
90
L
H
HB2
ALA
V
22
R
-
CE1
PHE
A
90
L
H
HB3
ALA
V
22
R
-
CE1
PHE
A
90
L
H
H
SER
V
23
R
-
CE2
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CE2
PHE
A
90
L
H
HB2
ALA
V
22
R
-
CZ
PHE
A
90
L
H
O
ARG
V
18
R
-
CZ
PHE
A
90
L
H
HA
GLU
V
19
R
-
CZ
PHE
A
90
L
H
HG2
GLU
V
19
R
-
CZ
PHE
A
90
L
H
CB
ALA
V
22
R
-
CZ
PHE
A
90
L
H
HB1
ALA
V
22
R
-
CZ
PHE
A
90
L
H
HB2
ALA
V
22
R
-
CZ
PHE
A
90
L
H
HB3
ALA
V
22
R
-
N
PRO
A
91
L
H
HH11
ARG
V
26
R
-
CA
PRO
A
91
L
H
HH11
ARG
V
26
R
-
C
PRO
A
91
L
H
NH1
ARG
V
26
R
-
C
PRO
A
91
L
H
CZ
ARG
V
26
R
-
C
PRO
A
91
L
H
HD3
ARG
V
26
R
-
C
PRO
A
91
L
H
HH11
ARG
V
26
R
-
C
PRO
A
91
L
H
HH12
ARG
V
26
R
-
CB
PRO
A
91
L
H
HG
SER
V
23
R
-
O
PRO
A
91
L
H
CD
ARG
V
26
R
-
O
PRO
A
91
L
H
NE
ARG
V
26
R
-
O
PRO
A
91
L
H
NH1
ARG
V
26
R
-
O
PRO
A
91
L
H
CZ
ARG
V
26
R
-
O
PRO
A
91
L
H
HD2
ARG
V
26
R
-
O
PRO
A
91
L
H
HD3
ARG
V
26
R
-
O
PRO
A
91
L
H
HH11
ARG
V
26
R
-
O
PRO
A
91
L
H
HH12
ARG
V
26
R
-
CG
PRO
A
91
L
H
OG
SER
V
23
R
-
CG
PRO
A
91
L
H
HB2
SER
V
23
R
-
CG
PRO
A
91
L
H
HG
SER
V
23
R
-
CD
PRO
A
91
L
H
OG
SER
V
23
R
-
CD
PRO
A
91
L
H
HB2
SER
V
23
R
-
CD
PRO
A
91
L
H
HG
SER
V
23
R
-
N
CYS
A
92
L
H
NH1
ARG
V
26
R
-
N
CYS
A
92
L
H
CZ
ARG
V
26
R
-
N
CYS
A
92
L
H
HH11
ARG
V
26
R
-
N
CYS
A
92
L
H
HH12
ARG
V
26
R
-
CA
CYS
A
92
L
H
NH1
ARG
V
26
R
-
CA
CYS
A
92
L
H
NH2
ARG
V
26
R
-
CA
CYS
A
92
L
H
CZ
ARG
V
26
R
-
CA
CYS
A
92
L
H
HH11
ARG
V
26
R
-
CA
CYS
A
92
L
H
HH12
ARG
V
26
R
-
CA
CYS
A
92
L
H
HH22
ARG
V
26
R
-
CB
CYS
A
92
L
H
NH1
ARG
V
26
R
-
CB
CYS
A
92
L
H
NH2
ARG
V
26
R
-
CB
CYS
A
92
L
H
CZ
ARG
V
26
R
-
CB
CYS
A
92
L
H
HH12
ARG
V
26
R
-
CB
CYS
A
92
L
H
HH21
ARG
V
26
R
-
CB
CYS
A
92
L
H
HH22
ARG
V
26
R
-
SG
CYS
A
92
L
H
NH2
ARG
V
26
R
-
SG
CYS
A
92
L
H
CZ
ARG
V
26
R
-
SG
CYS
A
92
L
H
HH12
ARG
V
26
R
-
SG
CYS
A
92
L
H
HH21
ARG
V
26
R
-
SG
CYS
A
92
L
H
HH22
ARG
V
26
R
-
N
GLU
A
93
L
H
HE1
HIS
V
30
R
-
CA
GLU
A
93
L
H
HE1
HIS
V
30
R
-
CB
GLU
A
93
L
H
HA
SER
V
27
R
-
CB
GLU
A
93
L
H
ND1
HIS
V
30
R
-
CB
GLU
A
93
L
H
HE1
HIS
V
30
R
-
CB
GLU
A
93
L
H
OD1
ASN
V
185
R
-
O
GLU
A
93
L
H
ND1
HIS
V
30
R
-
O
GLU
A
93
L
H
CE1
HIS
V
30
R
-
O
GLU
A
93
L
H
NE2
HIS
V
30
R
-
O
GLU
A
93
L
H
HE1
HIS
V
30
R
-
CG
GLU
A
93
L
H
OG
SER
V
27
R
-
CG
GLU
A
93
L
H
HA
SER
V
27
R
-
CG
GLU
A
93
L
H
OD1
ASN
V
185
R
-
CD
GLU
A
93
L
H
O
GLU
V
184
R
-
CD
GLU
A
93
L
H
HA
ASN
V
185
R
-
OE2
GLU
A
93
L
H
OG
SER
V
27
R
-
OE2
GLU
A
93
L
H
HB3
SER
V
27
R
-
OE2
GLU
A
93
L
H
C
GLU
V
184
R
-
OE2
GLU
A
93
L
H
O
GLU
V
184
R
-
OE2
GLU
A
93
L
H
CA
ASN
V
185
R
-
OE2
GLU
A
93
L
H
OD1
ASN
V
185
R
-
OE2
GLU
A
93
L
H
HA
ASN
V
185
R
-
C
GLU
A
94
L
H
HD22
ASN
V
185
R
-
O
GLU
A
94
L
H
OE2
GLU
V
184
R
-
O
GLU
A
94
L
H
HB3
GLU
V
184
R
-
O
GLU
A
94
L
H
ND2
ASN
V
185
R
-
O
GLU
A
94
L
H
HD22
ASN
V
185
R
-
N
GLY
A
95
L
H
HG3
LYS
V
181
R
-
N
GLY
A
95
L
H
HE3
LYS
V
181
R
-
N
GLY
A
95
L
H
HD22
ASN
V
185
R
-
CA
GLY
A
95
L
H
CG
LYS
V
181
R
-
CA
GLY
A
95
L
H
CD
LYS
V
181
R
-
CA
GLY
A
95
L
H
CE
LYS
V
181
R
-
CA
GLY
A
95
L
H
HG2
LYS
V
181
R
-
CA
GLY
A
95
L
H
HG3
LYS
V
181
R
-
CA
GLY
A
95
L
H
HE2
LYS
V
181
R
-
CA
GLY
A
95
L
H
HE3
LYS
V
181
R
-
CA
GLY
A
95
L
H
HD22
ASN
V
185
R
-
C
GLY
A
95
L
H
CG
LYS
V
181
R
-
C
GLY
A
95
L
H
CD
LYS
V
181
R
-
C
GLY
A
95
L
H
CE
LYS
V
181
R
-
C
GLY
A
95
L
H
NZ
LYS
V
181
R
-
C
GLY
A
95
L
H
HG2
LYS
V
181
R
-
C
GLY
A
95
L
H
HG3
LYS
V
181
R
-
C
GLY
A
95
L
H
HD2
LYS
V
181
R
-
C
GLY
A
95
L
H
HE2
LYS
V
181
R
-
C
GLY
A
95
L
H
HE3
LYS
V
181
R
-
C
GLY
A
95
L
H
HZ2
LYS
V
181
R
-
C
GLY
A
95
L
H
HZ3
LYS
V
181
R
-
O
GLY
A
95
L
H
CG
LYS
V
181
R
-
O
GLY
A
95
L
H
CD
LYS
V
181
R
-
O
GLY
A
95
L
H
CE
LYS
V
181
R
-
O
GLY
A
95
L
H
NZ
LYS
V
181
R
-
O
GLY
A
95
L
H
HG3
LYS
V
181
R
-
O
GLY
A
95
L
H
HD2
LYS
V
181
R
-
O
GLY
A
95
L
H
HE2
LYS
V
181
R
-
O
GLY
A
95
L
H
HE3
LYS
V
181
R
-
O
GLY
A
95
L
H
HZ1
LYS
V
181
R
-
O
GLY
A
95
L
H
HZ2
LYS
V
181
R
-
O
GLY
A
95
L
H
HZ3
LYS
V
181
R
-
N
LEU
A
96
L
H
CG
LYS
V
181
R
-
N
LEU
A
96
L
H
CD
LYS
V
181
R
-
N
LEU
A
96
L
H
CE
LYS
V
181
R
-
N
LEU
A
96
L
H
NZ
LYS
V
181
R
-
N
LEU
A
96
L
H
HG3
LYS
V
181
R
-
N
LEU
A
96
L
H
HD2
LYS
V
181
R
-
N
LEU
A
96
L
H
HE3
LYS
V
181
R
-
N
LEU
A
96
L
H
HZ2
LYS
V
181
R
-
CA
LEU
A
96
L
H
CD
LYS
V
181
R
-
CA
LEU
A
96
L
H
CE
LYS
V
181
R
-
CA
LEU
A
96
L
H
NZ
LYS
V
181
R
-
CA
LEU
A
96
L
H
HD2
LYS
V
181
R
-
CA
LEU
A
96
L
H
HE3
LYS
V
181
R
-
CA
LEU
A
96
L
H
HZ2
LYS
V
181
R
-
CA
LEU
A
96
L
H
HZ3
LYS
V
181
R
-
C
LEU
A
96
L
H
CD
LYS
V
181
R
-
C
LEU
A
96
L
H
CE
LYS
V
181
R
-
C
LEU
A
96
L
H
NZ
LYS
V
181
R
-
C
LEU
A
96
L
H
HD2
LYS
V
181
R
-
C
LEU
A
96
L
H
HD3
LYS
V
181
R
-
C
LEU
A
96
L
H
HE3
LYS
V
181
R
-
C
LEU
A
96
L
H
HZ1
LYS
V
181
R
-
C
LEU
A
96
L
H
HZ2
LYS
V
181
R
-
C
LEU
A
96
L
H
HZ3
LYS
V
181
R
-
CB
LEU
A
96
L
H
HZ2
LYS
V
181
R
-
O
LEU
A
96
L
H
CB
LYS
V
181
R
-
O
LEU
A
96
L
H
CG
LYS
V
181
R
-
O
LEU
A
96
L
H
CD
LYS
V
181
R
-
O
LEU
A
96
L
H
CE
LYS
V
181
R
-
O
LEU
A
96
L
H
NZ
LYS
V
181
R
-
O
LEU
A
96
L
H
HB2
LYS
V
181
R
-
O
LEU
A
96
L
H
HG3
LYS
V
181
R
-
O
LEU
A
96
L
H
HD2
LYS
V
181
R
-
O
LEU
A
96
L
H
HD3
LYS
V
181
R
-
O
LEU
A
96
L
H
HE3
LYS
V
181
R
-
O
LEU
A
96
L
H
HZ1
LYS
V
181
R
-
O
LEU
A
96
L
H
HZ2
LYS
V
181
R
-
N
GLU
A
97
L
H
OE1
GLU
V
37
R
-
N
GLU
A
97
L
H
OE2
GLU
V
37
R
-
N
GLU
A
97
L
H
CD
LYS
V
181
R
-
N
GLU
A
97
L
H
CE
LYS
V
181
R
-
N
GLU
A
97
L
H
NZ
LYS
V
181
R
-
N
GLU
A
97
L
H
HD2
LYS
V
181
R
-
N
GLU
A
97
L
H
HD3
LYS
V
181
R
-
N
GLU
A
97
L
H
HE3
LYS
V
181
R
-
N
GLU
A
97
L
H
HZ1
LYS
V
181
R
-
N
GLU
A
97
L
H
HZ2
LYS
V
181
R
-
N
GLU
A
97
L
H
HZ3
LYS
V
181
R
-
CA
GLU
A
97
L
H
OE1
GLU
V
37
R
-
CA
GLU
A
97
L
H
NZ
LYS
V
181
R
-
CA
GLU
A
97
L
H
HD2
LYS
V
181
R
-
CA
GLU
A
97
L
H
HZ1
LYS
V
181
R
-
CA
GLU
A
97
L
H
HZ2
LYS
V
181
R
-
C
GLU
A
97
L
H
CD
GLU
V
37
R
-
C
GLU
A
97
L
H
OE1
GLU
V
37
R
-
C
GLU
A
97
L
H
HZ2
LYS
V
181
R
-
CB
GLU
A
97
L
H
CD
GLU
V
37
R
-
CB
GLU
A
97
L
H
OE1
GLU
V
37
R
-
CB
GLU
A
97
L
H
CD2
LEU
V
178
R
-
CB
GLU
A
97
L
H
HD21
LEU
V
178
R
-
CB
GLU
A
97
L
H
HD23
LEU
V
178
R
-
CB
GLU
A
97
L
H
HD2
LYS
V
181
R
-
CB
GLU
A
97
L
H
HZ1
LYS
V
181
R
-
CB
GLU
A
97
L
H
HZ2
LYS
V
181
R
-
O
GLU
A
97
L
H
CD
GLU
V
37
R
-
O
GLU
A
97
L
H
OE1
GLU
V
37
R
-
O
GLU
A
97
L
H
OE2
GLU
V
37
R
-
O
GLU
A
97
L
H
HZ1
LYS
V
181
R
-
O
GLU
A
97
L
H
HZ2
LYS
V
181
R
-
CG
GLU
A
97
L
H
HB3
LEU
V
177
R
-
CG
GLU
A
97
L
H
HD21
LEU
V
178
R
-
CG
GLU
A
97
L
H
HD23
LEU
V
178
R
-
OE1
GLU
A
97
L
H
HB3
LEU
V
177
R
-
OE1
GLU
A
97
L
H
HD13
LEU
V
177
R
-
N
ALA
A
98
L
H
OE1
GLU
V
37
R
-
O
ALA
A
98
L
H
OE1
GLU
V
37
R
-
O
ALA
A
98
L
H
HG21
THR
V
41
R
-
C
GLY
A
99
L
H
HH12
ARG
V
174
R
-
O
GLY
A
99
L
H
NH1
ARG
V
174
R
-
O
GLY
A
99
L
H
HH11
ARG
V
174
R
-
O
GLY
A
99
L
H
HH12
ARG
V
174
R
-
O
PRO
A
100
L
H
HB3
SER
V
44
R
-
C
SER
A
101
L
H
CD
GLN
V
155
R
-
C
SER
A
101
L
H
NE2
GLN
V
155
R
-
C
SER
A
101
L
H
OE1
GLN
V
155
R
-
C
SER
A
101
L
H
HE22
GLN
V
155
R
-
O
SER
A
101
L
H
CD
GLN
V
155
R
-
O
SER
A
101
L
H
NE2
GLN
V
155
R
-
O
SER
A
101
L
H
OE1
GLN
V
155
R
-
O
SER
A
101
L
H
HE21
GLN
V
155
R
-
O
SER
A
101
L
H
HE22
GLN
V
155
R
-
N
PRO
A
102
L
H
CD
GLN
V
155
R
-
N
PRO
A
102
L
H
NE2
GLN
V
155
R
-
N
PRO
A
102
L
H
OE1
GLN
V
155
R
-
N
PRO
A
102
L
H
HE22
GLN
V
155
R
-
CA
PRO
A
102
L
H
OE1
GLN
V
155
R
-
CA
PRO
A
102
L
H
HE22
GLN
V
155
R
-
CB
PRO
A
102
L
H
CD
GLN
V
155
R
-
CB
PRO
A
102
L
H
NE2
GLN
V
155
R
-
CB
PRO
A
102
L
H
OE1
GLN
V
155
R
-
CB
PRO
A
102
L
H
HB3
GLN
V
155
R
-
CB
PRO
A
102
L
H
HE22
GLN
V
155
R
-
O
PRO
A
102
L
H
CD2
HIS
V
47
R
-
O
PRO
A
102
L
H
HD2
HIS
V
47
R
-
O
PRO
A
102
L
H
HE2
HIS
V
47
R
-
CG
PRO
A
102
L
H
SD
MET
V
48
R
-
CG
PRO
A
102
L
-
HG12
VAL
V
153
R
-
CG
PRO
A
102
L
H
CD
GLN
V
155
R
-
CG
PRO
A
102
L
H
NE2
GLN
V
155
R
-
CG
PRO
A
102
L
H
OE1
GLN
V
155
R
-
CG
PRO
A
102
L
H
HE21
GLN
V
155
R
-
CG
PRO
A
102
L
H
HE22
GLN
V
155
R
-
CD
PRO
A
102
L
H
CD
GLN
V
155
R
-
CD
PRO
A
102
L
H
NE2
GLN
V
155
R
-
CD
PRO
A
102
L
H
OE1
GLN
V
155
R
-
CD
PRO
A
102
L
H
HE22
GLN
V
155
R
-
C
THR
A
103
L
H
NE2
HIS
V
47
R
-
C
THR
A
103
L
H
HE2
HIS
V
47
R
-
CB
THR
A
103
L
H
HD3
PRO
V
154
R
-
O
THR
A
103
L
H
NE2
HIS
V
47
R
-
O
THR
A
103
L
H
HE2
HIS
V
47
R
-
O
THR
A
103
L
H
CD1
LEU
V
51
R
-
O
THR
A
103
L
H
HD12
LEU
V
51
R
-
O
THR
A
103
L
H
HD13
LEU
V
51
R
-
CG2
THR
A
103
L
H
HG2
PRO
V
154
R
-
CG2
THR
A
103
L
H
HD3
PRO
V
154
R
-
OG1
THR
A
103
L
H
HD3
PRO
V
154
R
-
N
VAL
A
104
L
H
NE2
HIS
V
47
R
-
N
VAL
A
104
L
H
HE2
HIS
V
47
R
-
CA
VAL
A
104
L
H
HE2
HIS
V
47
R
-
C
VAL
A
104
L
H
CE1
HIS
V
47
R
-
C
VAL
A
104
L
H
NE2
HIS
V
47
R
-
C
VAL
A
104
L
H
HE1
HIS
V
47
R
-
C
VAL
A
104
L
H
HE2
HIS
V
47
R
-
C
VAL
A
104
L
H
HD22
LEU
V
51
R
-
O
VAL
A
104
L
H
CE1
HIS
V
47
R
-
O
VAL
A
104
L
H
NE2
HIS
V
47
R
-
O
VAL
A
104
L
H
HE1
HIS
V
47
R
-
O
VAL
A
104
L
H
HE2
HIS
V
47
R
-
O
VAL
A
104
L
H
CD2
LEU
V
51
R
-
O
VAL
A
104
L
H
HD12
LEU
V
51
R
-
O
VAL
A
104
L
H
HD22
LEU
V
51
R
-
O
VAL
A
104
L
H
HD23
LEU
V
51
R
-
N
LEU
A
105
L
H
CE1
HIS
V
47
R
-
N
LEU
A
105
L
H
NE2
HIS
V
47
R
-
N
LEU
A
105
L
H
HE1
HIS
V
47
R
-
N
LEU
A
105
L
H
HE2
HIS
V
47
R
-
CA
LEU
A
105
L
H
CE1
HIS
V
47
R
-
CA
LEU
A
105
L
H
HE1
HIS
V
47
R
-
C
LEU
A
105
L
H
CE1
HIS
V
47
R
-
C
LEU
A
105
L
H
HE1
HIS
V
47
R
-
C
LEU
A
105
L
H
HD22
LEU
V
51
R
-
O
LEU
A
105
L
H
ND1
HIS
V
47
R
-
O
LEU
A
105
L
H
CE1
HIS
V
47
R
-
O
LEU
A
105
L
H
HE1
HIS
V
47
R
-
O
LEU
A
105
L
H
CD2
LEU
V
51
R
-
O
LEU
A
105
L
H
HG
LEU
V
51
R
-
O
LEU
A
105
L
H
HD21
LEU
V
51
R
-
O
LEU
A
105
L
H
HD22
LEU
V
51
R
-
O
LEU
A
105
L
H
HD23
LEU
V
51
R
-
N
GLY
A
106
L
H
CE1
HIS
V
47
R
-
N
GLY
A
106
L
H
HE1
HIS
V
47
R
-
CA
GLY
A
106
L
H
HE1
HIS
V
47
R
-
O
GLY
A
106
L
H
OE1
GLN
V
50
R
-
C
HIS
A
108
L
H
HE22
GLN
V
50
R
-
O
HIS
A
108
L
H
NE2
GLN
V
50
R
-
O
HIS
A
108
L
H
HE21
GLN
V
50
R
-
O
HIS
A
108
L
H
HE22
GLN
V
50
R
-
C
ALA
A
109
L
H
HB3
SER
V
83
R
-
O
ALA
A
109
L
H
CB
SER
V
83
R
-
O
ALA
A
109
L
H
OG
SER
V
83
R
-
O
ALA
A
109
L
H
HB2
SER
V
83
R
-
O
ALA
A
109
L
H
HB3
SER
V
83
R
-
N
GLU
A
110
L
H
HB3
SER
V
83
R
-
C
GLU
A
110
L
H
HB3
SER
V
83
R
-
C
GLU
A
110
L
H
HA
ARG
V
84
R
-
C
GLU
A
110
L
H
HG2
ARG
V
84
R
-
C
GLU
A
110
L
H
HG3
ARG
V
84
R
-
O
GLU
A
110
L
H
HB2
SER
V
83
R
-
O
GLU
A
110
L
H
HB3
SER
V
83
R
-
O
GLU
A
110
L
H
HG2
ARG
V
84
R
-
O
GLU
A
110
L
H
HG3
ARG
V
84
R
-
N
MET
A
111
L
H
CA
ARG
V
84
R
-
N
MET
A
111
L
H
CG
ARG
V
84
R
-
N
MET
A
111
L
H
HA
ARG
V
84
R
-
N
MET
A
111
L
H
HG2
ARG
V
84
R
-
N
MET
A
111
L
H
HG3
ARG
V
84
R
-
CA
MET
A
111
L
H
CG
ARG
V
84
R
-
CA
MET
A
111
L
H
HA
ARG
V
84
R
-
CA
MET
A
111
L
H
HG2
ARG
V
84
R
-
CA
MET
A
111
L
H
CG
HIS
V
87
R
-
CA
MET
A
111
L
H
HB3
HIS
V
87
R
-
C
MET
A
111
L
H
CA
ARG
V
84
R
-
C
MET
A
111
L
H
CB
ARG
V
84
R
-
C
MET
A
111
L
H
CG
ARG
V
84
R
-
C
MET
A
111
L
H
HA
ARG
V
84
R
-
C
MET
A
111
L
H
HB3
ARG
V
84
R
-
C
MET
A
111
L
H
HG2
ARG
V
84
R
-
C
MET
A
111
L
H
CG
HIS
V
87
R
-
C
MET
A
111
L
H
ND1
HIS
V
87
R
-
C
MET
A
111
L
H
HB3
HIS
V
87
R
-
C
MET
A
111
L
H
HD1
HIS
V
87
R
-
C
MET
A
111
L
H
OD1
ASP
V
88
R
-
CB
MET
A
111
L
H
HG2
ARG
V
84
R
-
O
MET
A
111
L
H
CA
ARG
V
84
R
-
O
MET
A
111
L
H
CB
ARG
V
84
R
-
O
MET
A
111
L
H
CG
ARG
V
84
R
-
O
MET
A
111
L
H
CD
ARG
V
84
R
-
O
MET
A
111
L
H
HA
ARG
V
84
R
-
O
MET
A
111
L
H
HB3
ARG
V
84
R
-
O
MET
A
111
L
H
HG2
ARG
V
84
R
-
O
MET
A
111
L
H
HG3
ARG
V
84
R
-
O
MET
A
111
L
H
HD2
ARG
V
84
R
-
O
MET
A
111
L
H
HD3
ARG
V
84
R
-
N
ALA
A
112
L
H
HA
ARG
V
84
R
-
N
ALA
A
112
L
H
HG2
ARG
V
84
R
-
N
ALA
A
112
L
H
CB
HIS
V
87
R
-
N
ALA
A
112
L
H
CG
HIS
V
87
R
-
N
ALA
A
112
L
H
ND1
HIS
V
87
R
-
N
ALA
A
112
L
H
CE1
HIS
V
87
R
-
N
ALA
A
112
L
H
HB3
HIS
V
87
R
-
N
ALA
A
112
L
H
HE1
HIS
V
87
R
-
N
ALA
A
112
L
H
HD1
HIS
V
87
R
-
N
ALA
A
112
L
H
CG
ASP
V
88
R
-
N
ALA
A
112
L
H
OD1
ASP
V
88
R
-
CA
ALA
A
112
L
H
ND1
HIS
V
87
R
-
CA
ALA
A
112
L
H
CE1
HIS
V
87
R
-
CA
ALA
A
112
L
H
HE1
HIS
V
87
R
-
CA
ALA
A
112
L
H
HD1
HIS
V
87
R
-
CA
ALA
A
112
L
H
CG
ASP
V
88
R
-
CA
ALA
A
112
L
H
OD1
ASP
V
88
R
-
CA
ALA
A
112
L
H
OD2
ASP
V
88
R
-
C
ALA
A
112
L
H
HB3
ARG
V
84
R
-
C
ALA
A
112
L
H
HD1
HIS
V
87
R
-
C
ALA
A
112
L
H
CB
ASP
V
88
R
-
C
ALA
A
112
L
H
CG
ASP
V
88
R
-
C
ALA
A
112
L
H
OD1
ASP
V
88
R
-
C
ALA
A
112
L
H
OD2
ASP
V
88
R
-
C
ALA
A
112
L
H
HZ
PHE
V
110
R
-
CB
ALA
A
112
L
H
HD1
HIS
V
87
R
-
CB
ALA
A
112
L
H
OD1
ASP
V
88
R
-
O
ALA
A
112
L
H
CA
ARG
V
84
R
-
O
ALA
A
112
L
H
C
ARG
V
84
R
-
O
ALA
A
112
L
H
CB
ARG
V
84
R
-
O
ALA
A
112
L
H
O
ARG
V
84
R
-
O
ALA
A
112
L
H
HA
ARG
V
84
R
-
O
ALA
A
112
L
H
HB3
ARG
V
84
R
-
O
ALA
A
112
L
H
HD2
ARG
V
84
R
-
O
ALA
A
112
L
H
HD1
HIS
V
87
R
-
O
ALA
A
112
L
H
CG
ASP
V
88
R
-
O
ALA
A
112
L
H
OD1
ASP
V
88
R
-
O
ALA
A
112
L
H
OD2
ASP
V
88
R
-
O
ALA
A
112
L
H
CZ
PHE
V
110
R
-
O
ALA
A
112
L
H
HE2
PHE
V
110
R
-
O
ALA
A
112
L
H
HZ
PHE
V
110
R
-
N
LEU
A
113
L
H
CB
ASP
V
88
R
-
N
LEU
A
113
L
H
CG
ASP
V
88
R
-
N
LEU
A
113
L
H
OD1
ASP
V
88
R
-
N
LEU
A
113
L
H
OD2
ASP
V
88
R
-
N
LEU
A
113
L
H
HB3
ASP
V
88
R
-
N
LEU
A
113
L
H
HE2
PHE
V
110
R
-
N
LEU
A
113
L
H
HZ
PHE
V
110
R
-
CA
LEU
A
113
L
H
CG
ASP
V
88
R
-
CA
LEU
A
113
L
H
OD1
ASP
V
88
R
-
CA
LEU
A
113
L
H
OD2
ASP
V
88
R
-
C
LEU
A
113
L
H
CG
ASP
V
88
R
-
C
LEU
A
113
L
H
OD2
ASP
V
88
R
-
C
LEU
A
113
L
H
HB3
ASP
V
88
R
-
O
LEU
A
113
L
H
OD2
ASP
V
88
R
-
O
LEU
A
113
L
H
CD
GLU
V
109
R
-
O
LEU
A
113
L
H
OE1
GLU
V
109
R
-
O
LEU
A
113
L
H
OE2
GLU
V
109
R
-
O
LEU
A
113
L
H
HE2
PHE
V
110
R
-
N
ASP
A
114
L
H
HB3
ASP
V
88
R
-
O
ASP
A
114
L
H
OE2
GLU
V
109
R
-
OD1
ASP
A
114
L
-
NZ
LYS
V
95
R
-
OD1
ASP
A
114
L
-
HZ1
LYS
V
95
R
-
OD1
ASP
A
114
L
-
HZ3
LYS
V
95
R
-
CA
SER
A
115
L
H
CD2
LEU
V
102
R
-
CA
SER
A
115
L
H
HD21
LEU
V
102
R
-
CA
SER
A
115
L
H
HD22
LEU
V
102
R
-
CA
SER
A
115
L
H
HD23
LEU
V
102
R
-
C
SER
A
115
L
H
CD2
LEU
V
102
R
-
C
SER
A
115
L
H
HD21
LEU
V
102
R
-
C
SER
A
115
L
H
HD22
LEU
V
102
R
-
C
SER
A
115
L
H
HD23
LEU
V
102
R
-
C
SER
A
115
L
H
HD21
ASN
V
105
R
-
O
SER
A
115
L
H
HD21
LEU
V
102
R
-
O
SER
A
115
L
H
HD22
LEU
V
102
R
-
O
SER
A
115
L
H
HD21
ASN
V
105
R
-
OG
SER
A
115
L
-
NZ
LYS
V
95
R
-
OG
SER
A
115
L
-
HZ1
LYS
V
95
R
-
OG
SER
A
115
L
-
HZ2
LYS
V
95
R
-
OG
SER
A
115
L
-
HZ3
LYS
V
95
R
-
N
GLN
A
116
L
H
CG
LEU
V
102
R
-
N
GLN
A
116
L
H
CD2
LEU
V
102
R
-
N
GLN
A
116
L
H
HD21
LEU
V
102
R
-
N
GLN
A
116
L
H
HD22
LEU
V
102
R
-
N
GLN
A
116
L
H
HD23
LEU
V
102
R
-
CA
GLN
A
116
L
-
OE2
GLU
V
98
R
-
CA
GLN
A
116
L
H
CD2
LEU
V
102
R
-
CA
GLN
A
116
L
H
HD21
LEU
V
102
R
-
CA
GLN
A
116
L
H
HD22
LEU
V
102
R
-
CA
GLN
A
116
L
H
HD23
LEU
V
102
R
-
C
GLN
A
116
L
H
HD21
LEU
V
102
R
-
C
GLN
A
116
L
H
HD22
LEU
V
102
R
-
CB
GLN
A
116
L
-
OE2
GLU
V
98
R
-
CB
GLN
A
116
L
H
HD22
LEU
V
102
R
-
CG
GLN
A
116
L
-
NZ
LYS
V
95
R
-
CG
GLN
A
116
L
-
HZ1
LYS
V
95
R
-
CG
GLN
A
116
L
-
HZ2
LYS
V
95
R
-
CG
GLN
A
116
L
-
OE2
GLU
V
98
R
-
CG
GLN
A
116
L
H
HD22
LEU
V
102
R
-
CD
GLN
A
116
L
-
NZ
LYS
V
95
R
-
CD
GLN
A
116
L
-
HZ1
LYS
V
95
R
-
CD
GLN
A
116
L
-
HZ2
LYS
V
95
R
-
NE2
GLN
A
116
L
-
NZ
LYS
V
95
R
-
NE2
GLN
A
116
L
-
HZ1
LYS
V
95
R
-
NE2
GLN
A
116
L
-
HZ2
LYS
V
95
R
-
OE1
GLN
A
116
L
-
HZ2
LYS
V
95
R
-
N
VAL
A
117
L
-
CD
GLU
V
98
R
-
N
VAL
A
117
L
-
OE2
GLU
V
98
R
-
N
VAL
A
117
L
-
HB3
GLU
V
98
R
-
N
VAL
A
117
L
H
HD22
LEU
V
102
R
-
CA
VAL
A
117
L
-
CD
GLU
V
98
R
-
CA
VAL
A
117
L
-
OE2
GLU
V
98
R
-
CA
VAL
A
117
L
-
HG2
GLU
V
98
R
-
CA
VAL
A
117
L
H
CD
GLN
V
101
R
-
CA
VAL
A
117
L
H
NE2
GLN
V
101
R
-
CA
VAL
A
117
L
H
OE1
GLN
V
101
R
-
CA
VAL
A
117
L
H
HE22
GLN
V
101
R
-
CB
VAL
A
117
L
-
CB
GLU
V
98
R
-
CB
VAL
A
117
L
-
CG
GLU
V
98
R
-
CB
VAL
A
117
L
-
CD
GLU
V
98
R
-
CB
VAL
A
117
L
-
OE1
GLU
V
98
R
-
CB
VAL
A
117
L
-
OE2
GLU
V
98
R
-
CB
VAL
A
117
L
-
HA
GLU
V
98
R
-
CB
VAL
A
117
L
-
HB3
GLU
V
98
R
-
CB
VAL
A
117
L
-
HG2
GLU
V
98
R
-
CB
VAL
A
117
L
-
HG3
GLU
V
98
R
-
CB
VAL
A
117
L
H
CD
GLN
V
101
R
-
CB
VAL
A
117
L
H
OE1
GLN
V
101
R
-
O
VAL
A
117
L
-
OE1
GLU
V
98
R
-
CG1
VAL
A
117
L
-
CA
GLU
V
98
R
-
CG1
VAL
A
117
L
-
CB
GLU
V
98
R
-
CG1
VAL
A
117
L
-
CG
GLU
V
98
R
-
CG1
VAL
A
117
L
-
CD
GLU
V
98
R
-
CG1
VAL
A
117
L
-
HA
GLU
V
98
R
-
CG1
VAL
A
117
L
-
HB3
GLU
V
98
R
-
CG1
VAL
A
117
L
-
HG2
GLU
V
98
R
-
CG1
VAL
A
117
L
H
CB
GLN
V
101
R
-
CG1
VAL
A
117
L
H
CD
GLN
V
101
R
-
CG1
VAL
A
117
L
H
NE2
GLN
V
101
R
-
CG1
VAL
A
117
L
H
OE1
GLN
V
101
R
-
CG1
VAL
A
117
L
H
HB2
GLN
V
101
R
-
CG1
VAL
A
117
L
H
HB3
GLN
V
101
R
-
CG1
VAL
A
117
L
H
HE22
GLN
V
101
R
-
CG1
VAL
A
117
L
-
HG
SER
V
191
R
-
CG2
VAL
A
117
L
-
CA
GLU
V
98
R
-
CG2
VAL
A
117
L
-
CB
GLU
V
98
R
-
CG2
VAL
A
117
L
-
CG
GLU
V
98
R
-
CG2
VAL
A
117
L
-
CD
GLU
V
98
R
-
CG2
VAL
A
117
L
-
OE1
GLU
V
98
R
-
CG2
VAL
A
117
L
-
OE2
GLU
V
98
R
-
CG2
VAL
A
117
L
-
HA
GLU
V
98
R
-
CG2
VAL
A
117
L
-
HB2
GLU
V
98
R
-
CG2
VAL
A
117
L
-
HB3
GLU
V
98
R
-
CG2
VAL
A
117
L
-
HG2
GLU
V
98
R
-
CG2
VAL
A
117
L
-
HG3
GLU
V
98
R
-
CG2
VAL
A
117
L
H
HG
LEU
V
102
R
-
N
LYS
A
119
L
-
HB3
SER
V
191
R
-
CA
LYS
A
119
L
-
HB3
SER
V
191
R
-
CB
ASP
A
135
L
H
HD21
LEU
V
379
R
-
CG
ASP
A
135
L
H
CD2
LEU
V
379
R
-
CG
ASP
A
135
L
H
HA
LEU
V
379
R
-
CG
ASP
A
135
L
H
HD21
LEU
V
379
R
-
CG
ASP
A
135
L
H
HD23
LEU
V
379
R
-
OD1
ASP
A
135
L
H
O
LEU
V
379
R
-
OD1
ASP
A
135
L
H
HA
LEU
V
379
R
-
OD1
ASP
A
135
L
H
HD21
LEU
V
379
R
-
OD2
ASP
A
135
L
H
CA
LEU
V
379
R
-
OD2
ASP
A
135
L
H
CB
LEU
V
379
R
-
OD2
ASP
A
135
L
H
CG
LEU
V
379
R
-
OD2
ASP
A
135
L
H
CD2
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HA
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HB3
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HG
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HD21
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HD22
LEU
V
379
R
-
OD2
ASP
A
135
L
H
HD23
LEU
V
379
R
-
CB
SER
A
136
L
H
O
LEU
V
379
R
-
CB
SER
A
136
L
-
CA
GLY
V
382
R
-
CB
SER
A
136
L
-
HA2
GLY
V
382
R
-
CB
SER
A
136
L
-
HA3
GLY
V
382
R
-
OG
SER
A
136
L
H
O
LEU
V
378
R
-
OG
SER
A
136
L
H
CA
LEU
V
379
R
-
OG
SER
A
136
L
H
C
LEU
V
379
R
-
OG
SER
A
136
L
H
O
LEU
V
379
R
-
OG
SER
A
136
L
H
HA
LEU
V
379
R
-
OG
SER
A
136
L
-
N
GLY
V
382
R
-
OG
SER
A
136
L
-
CA
GLY
V
382
R
-
OG
SER
A
136
L
-
H
GLY
V
382
R
-
OG
SER
A
136
L
-
HA2
GLY
V
382
R
-
OG
SER
A
136
L
-
HA3
GLY
V
382
R
-
OE2
GLU
A
137
L
H
O
GLU
V
380