A1IGU5_Q5VV41.14
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
-
GLN
A
59
L
H
TRP
V
416
R
-
GLN
A
59
L
H
GLN
V
419
R
-
PRO
A
60
L
H
TRP
V
416
R
-
ARG
A
61
L
H
SER
V
349
R
-
ARG
A
61
L
H
TRP
V
416
R
-
PRO
A
62
L
H
ALA
V
353
R
-
PRO
A
62
L
H
PHE
V
409
R
-
PRO
A
62
L
H
LEU
V
412
R
-
PRO
A
63
L
H
PHE
V
409
R
-
GLY
A
64
L
H
THR
V
224
R
-
HIS
A
65
L
H
THR
V
224
R
-
HIS
A
65
L
-
LYS
V
225
R
-
HIS
A
65
L
-
VAL
V
226
R
-
GLU
A
66
L
H
GLN
V
127
R
-
GLU
A
66
L
H
LYS
V
217
R
-
GLU
A
66
L
H
SER
V
221
R
-
GLU
A
66
L
-
LYS
V
225
R
-
THR
A
688
L
H
GLN
V
155
R
-
SER
A
689
L
H
GLN
V
155
R
-
SER
A
689
L
H
SER
V
159
R
-
SER
A
689
L
H
PHE
V
163
R
-
TRP
A
69
L
H
GLY
V
66
R
-
TRP
A
69
L
H
VAL
V
70
R
H
ARG
A
690
L
H
PHE
V
163
R
H
ARG
A
690
L
H
GLN
V
170
R
H
ARG
A
690
L
H
ARG
V
174
R
H
VAL
A
691
L
H
SER
V
159
R
H
VAL
A
691
L
H
PHE
V
163
R
H
VAL
A
691
L
-
VAL
V
166
R
H
VAL
A
691
L
H
GLN
V
170
R
H
ALA
A
692
L
H
SER
V
159
R
H
GLU
A
694
L
H
GLN
V
170
R
-
ILE
A
71
L
H
THR
V
134
R
-
VAL
A
72
L
H
TYR
V
135
R
-
VAL
A
72
L
-
PRO
V
64
R
-
VAL
A
72
L
H
ASP
V
67
R
-
LEU
A
73
L
-
GLU
V
138
R
H
SER
A
74
L
H
LEU
V
141
R
H
SER
A
74
L
-
LEU
V
63
R
-
SER
A
77
L
-
GLN
V
62
R
-
SER
A
77
L
-
LEU
V
63
R
-
SER
A
77
L
-
PRO
V
64
R
H
PRO
A
78
L
-
PRO
V
64
R
H
PRO
A
78
L
H
GLN
V
65
R
H
ALA
A
79
L
-
GLN
V
61
R
H
ALA
A
79
L
-
GLN
V
62
R
-
GLN
A
87
L
H
HIS
V
144
R
-
GLN
A
87
L
-
GLN
V
62
R
-
LEU
A
93
L
H
ARG
V
143
R
-
LEU
A
93
L
H
GLY
V
147
A1IGU5_Q5VV41.14
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
-
C
GLN
A
59
L
H
HZ2
TRP
V
416
R
-
CB
GLN
A
59
L
H
HZ2
TRP
V
416
R
-
O
GLN
A
59
L
H
CZ2
TRP
V
416
R
-
O
GLN
A
59
L
H
HH2
TRP
V
416
R
-
O
GLN
A
59
L
H
HZ2
TRP
V
416
R
-
CD
GLN
A
59
L
H
CG
GLN
V
419
R
-
CD
GLN
A
59
L
H
HG2
GLN
V
419
R
-
CD
GLN
A
59
L
H
HE21
GLN
V
419
R
-
NE2
GLN
A
59
L
H
CG
GLN
V
419
R
-
NE2
GLN
A
59
L
H
CD
GLN
V
419
R
-
NE2
GLN
A
59
L
H
NE2
GLN
V
419
R
-
NE2
GLN
A
59
L
H
HG2
GLN
V
419
R
-
NE2
GLN
A
59
L
H
HG3
GLN
V
419
R
-
NE2
GLN
A
59
L
H
HE21
GLN
V
419
R
-
NE2
GLN
A
59
L
H
HE22
GLN
V
419
R
-
OE1
GLN
A
59
L
H
CG
GLN
V
419
R
-
OE1
GLN
A
59
L
H
HB3
GLN
V
419
R
-
OE1
GLN
A
59
L
H
HG2
GLN
V
419
R
-
OE1
GLN
A
59
L
H
HG3
GLN
V
419
R
-
N
PRO
A
60
L
H
HZ2
TRP
V
416
R
-
CA
PRO
A
60
L
H
HZ2
TRP
V
416
R
-
C
PRO
A
60
L
H
CZ2
TRP
V
416
R
-
C
PRO
A
60
L
H
HZ2
TRP
V
416
R
-
C
PRO
A
60
L
H
HE1
TRP
V
416
R
-
O
PRO
A
60
L
H
CE2
TRP
V
416
R
-
O
PRO
A
60
L
H
NE1
TRP
V
416
R
-
O
PRO
A
60
L
H
CZ2
TRP
V
416
R
-
O
PRO
A
60
L
H
HZ2
TRP
V
416
R
-
O
PRO
A
60
L
H
HE1
TRP
V
416
R
-
CG
PRO
A
60
L
H
HE1
TRP
V
416
R
-
CD
PRO
A
60
L
H
HZ2
TRP
V
416
R
-
CD
PRO
A
60
L
H
HE1
TRP
V
416
R
-
N
ARG
A
61
L
H
CZ2
TRP
V
416
R
-
N
ARG
A
61
L
H
HZ2
TRP
V
416
R
-
CA
ARG
A
61
L
H
HZ2
TRP
V
416
R
-
CG
ARG
A
61
L
H
CH2
TRP
V
416
R
-
CG
ARG
A
61
L
H
HH2
TRP
V
416
R
-
CG
ARG
A
61
L
H
HZ2
TRP
V
416
R
-
NE
ARG
A
61
L
H
HH2
TRP
V
416
R
-
NH2
ARG
A
61
L
H
HB3
SER
V
349
R
-
CB
PRO
A
62
L
H
HD2
PHE
V
409
R
-
CB
PRO
A
62
L
H
HE2
PHE
V
409
R
-
CB
PRO
A
62
L
H
HD12
LEU
V
412
R
-
CG
PRO
A
62
L
H
HB1
ALA
V
353
R
-
CG
PRO
A
62
L
H
HE2
PHE
V
409
R
-
CD
PRO
A
63
L
H
HD2
PHE
V
409
R
-
CA
GLY
A
64
L
H
HG21
THR
V
224
R
-
C
GLY
A
64
L
H
CG2
THR
V
224
R
-
C
GLY
A
64
L
H
HG21
THR
V
224
R
-
C
GLY
A
64
L
H
HG23
THR
V
224
R
-
O
GLY
A
64
L
H
CG2
THR
V
224
R
-
O
GLY
A
64
L
H
HG21
THR
V
224
R
-
O
GLY
A
64
L
H
HG22
THR
V
224
R
-
O
GLY
A
64
L
H
HG23
THR
V
224
R
-
N
HIS
A
65
L
H
HG21
THR
V
224
R
-
CA
HIS
A
65
L
H
HG21
THR
V
224
R
-
CA
HIS
A
65
L
H
HG23
THR
V
224
R
-
CG
HIS
A
65
L
H
HG23
THR
V
224
R
-
CD2
HIS
A
65
L
H
HG22
THR
V
224
R
-
CD2
HIS
A
65
L
H
HG23
THR
V
224
R
-
ND1
HIS
A
65
L
H
O
THR
V
224
R
-
ND1
HIS
A
65
L
H
HG23
THR
V
224
R
-
ND1
HIS
A
65
L
-
HA
LYS
V
225
R
-
ND1
HIS
A
65
L
-
H
VAL
V
226
R
-
CE1
HIS
A
65
L
H
C
THR
V
224
R
-
CE1
HIS
A
65
L
H
O
THR
V
224
R
-
CE1
HIS
A
65
L
H
CG2
THR
V
224
R
-
CE1
HIS
A
65
L
H
HG22
THR
V
224
R
-
CE1
HIS
A
65
L
H
HG23
THR
V
224
R
-
CE1
HIS
A
65
L
-
HA
LYS
V
225
R
-
CE1
HIS
A
65
L
-
N
VAL
V
226
R
-
CE1
HIS
A
65
L
-
H
VAL
V
226
R
-
CE1
HIS
A
65
L
-
HB
VAL
V
226
R
-
CE1
HIS
A
65
L
-
HG21
VAL
V
226
R
-
NE2
HIS
A
65
L
H
O
THR
V
224
R
-
NE2
HIS
A
65
L
H
CG2
THR
V
224
R
-
NE2
HIS
A
65
L
H
HG22
THR
V
224
R
-
NE2
HIS
A
65
L
H
HG23
THR
V
224
R
-
NE2
HIS
A
65
L
-
HG21
VAL
V
226
R
-
C
GLU
A
66
L
-
HE3
LYS
V
225
R
-
O
GLU
A
66
L
-
CE
LYS
V
225
R
-
O
GLU
A
66
L
-
HG2
LYS
V
225
R
-
O
GLU
A
66
L
-
HE3
LYS
V
225
R
-
CD
GLU
A
66
L
H
NE2
GLN
V
127
R
-
CD
GLU
A
66
L
H
HE21
GLN
V
127
R
-
CD
GLU
A
66
L
H
HE22
GLN
V
127
R
-
OE1
GLU
A
66
L
H
NE2
GLN
V
127
R
-
OE1
GLU
A
66
L
H
HE21
GLN
V
127
R
-
OE1
GLU
A
66
L
H
HE22
GLN
V
127
R
-
OE1
GLU
A
66
L
H
HE2
LYS
V
217
R
-
OE1
GLU
A
66
L
H
HE3
LYS
V
217
R
-
OE2
GLU
A
66
L
H
NE2
GLN
V
127
R
-
OE2
GLU
A
66
L
H
HE21
GLN
V
127
R
-
OE2
GLU
A
66
L
H
HE22
GLN
V
127
R
-
OE2
GLU
A
66
L
H
OG
SER
V
221
R
-
OE2
GLU
A
66
L
H
HB2
SER
V
221
R
-
OE2
GLU
A
66
L
H
HG
SER
V
221
R
-
CD2
TRP
A
69
L
H
HG23
VAL
V
70
R
-
CE3
TRP
A
69
L
H
O
GLY
V
66
R
-
CE3
TRP
A
69
L
H
HA3
GLY
V
66
R
-
CE3
TRP
A
69
L
H
HG21
VAL
V
70
R
-
CE3
TRP
A
69
L
H
HG23
VAL
V
70
R
-
CH2
TRP
A
69
L
H
HG21
VAL
V
70
R
-
CZ3
TRP
A
69
L
H
CA
GLY
V
66
R
-
CZ3
TRP
A
69
L
H
C
GLY
V
66
R
-
CZ3
TRP
A
69
L
H
O
GLY
V
66
R
-
CZ3
TRP
A
69
L
H
HA2
GLY
V
66
R
-
CZ3
TRP
A
69
L
H
HA3
GLY
V
66
R
-
CZ3
TRP
A
69
L
H
CG2
VAL
V
70
R
-
CZ3
TRP
A
69
L
H
HG21
VAL
V
70
R
-
CZ3
TRP
A
69
L
H
HG23
VAL
V
70
R
-
CB
ILE
A
71
L
H
HG21
THR
V
134
R
-
CG1
ILE
A
71
L
H
HG21
THR
V
134
R
-
CG2
ILE
A
71
L
H
CG2
THR
V
134
R
-
CG2
ILE
A
71
L
H
HG21
THR
V
134
R
-
CG2
ILE
A
71
L
H
HG22
THR
V
134
R
-
CG2
ILE
A
71
L
H
HG23
THR
V
134
R
-
CD1
ILE
A
71
L
H
HG21
THR
V
134
R
-
CA
VAL
A
72
L
-
HG2
PRO
V
64
R
-
C
VAL
A
72
L
-
HG2
PRO
V
64
R
-
CB
VAL
A
72
L
-
CG
PRO
V
64
R
-
CB
VAL
A
72
L
-
HB3
PRO
V
64
R
-
CB
VAL
A
72
L
-
HG2
PRO
V
64
R
-
CB
VAL
A
72
L
-
HG3
PRO
V
64
R
-
O
VAL
A
72
L
-
CG
PRO
V
64
R
-
O
VAL
A
72
L
-
HG2
PRO
V
64
R
-
O
VAL
A
72
L
H
OD2
ASP
V
67
R
-
O
VAL
A
72
L
H
HE1
TYR
V
135
R
-
CG1
VAL
A
72
L
-
CG
PRO
V
64
R
-
CG1
VAL
A
72
L
-
HB3
PRO
V
64
R
-
CG1
VAL
A
72
L
-
HG2
PRO
V
64
R
-
CG1
VAL
A
72
L
-
HG3
PRO
V
64
R
-
CG2
VAL
A
72
L
-
HB3
PRO
V
64
R
-
CG2
VAL
A
72
L
-
HG2
PRO
V
64
R
-
CD2
LEU
A
73
L
-
OE1
GLU
V
138
R
H
N
SER
A
74
L
H
HD22
LEU
V
141
R
H
CA
SER
A
74
L
H
HD22
LEU
V
141
R
H
CB
SER
A
74
L
H
CD2
LEU
V
141
R
H
CB
SER
A
74
L
H
HB2
LEU
V
141
R
H
CB
SER
A
74
L
H
HD13
LEU
V
141
R
H
CB
SER
A
74
L
H
HD21
LEU
V
141
R
H
CB
SER
A
74
L
H
HD22
LEU
V
141
R
H
CB
SER
A
74
L
H
HD23
LEU
V
141
R
H
OG
SER
A
74
L
-
HD21
LEU
V
63
R
H
OG
SER
A
74
L
H
CD1
LEU
V
141
R
H
OG
SER
A
74
L
H
CD2
LEU
V
141
R
H
OG
SER
A
74
L
H
HB2
LEU
V
141
R
H
OG
SER
A
74
L
H
HD12
LEU
V
141
R
H
OG
SER
A
74
L
H
HD13
LEU
V
141
R
H
OG
SER
A
74
L
H
HD22
LEU
V
141
R
H
OG
SER
A
74
L
H
HD23
LEU
V
141
R
-
N
SER
A
77
L
-
HG3
PRO
V
64
R
-
CA
SER
A
77
L
-
CG
PRO
V
64
R
-
CA
SER
A
77
L
-
HA
PRO
V
64
R
-
CA
SER
A
77
L
-
HG3
PRO
V
64
R
-
CB
SER
A
77
L
-
O
GLN
V
62
R
-
CB
SER
A
77
L
-
C
LEU
V
63
R
-
CB
SER
A
77
L
-
HA
LEU
V
63
R
-
CB
SER
A
77
L
-
N
PRO
V
64
R
-
CB
SER
A
77
L
-
CA
PRO
V
64
R
-
CB
SER
A
77
L
-
CG
PRO
V
64
R
-
CB
SER
A
77
L
-
CD
PRO
V
64
R
-
CB
SER
A
77
L
-
HA
PRO
V
64
R
-
CB
SER
A
77
L
-
HG3
PRO
V
64
R
-
CB
SER
A
77
L
-
HD2
PRO
V
64
R
-
OG
SER
A
77
L
-
C
GLN
V
62
R
-
OG
SER
A
77
L
-
O
GLN
V
62
R
-
OG
SER
A
77
L
-
HD2
PRO
V
64
R
H
N
PRO
A
78
L
-
HA
PRO
V
64
R
H
CD
PRO
A
78
L
-
HA
PRO
V
64
R
H
CD
PRO
A
78
L
-
HB3
PRO
V
64
R
H
CD
PRO
A
78
L
H
H
GLN
V
65
R
H
CA
ALA
A
79
L
-
HA
GLN
V
62
R
H
CB
ALA
A
79
L
-
C
GLN
V
61
R
H
CB
ALA
A
79
L
-
O
GLN
V
61
R
H
CB
ALA
A
79
L
-
CA
GLN
V
62
R
H
CB
ALA
A
79
L
-
C
GLN
V
62
R
H
CB
ALA
A
79
L
-
O
GLN
V
62
R
H
CB
ALA
A
79
L
-
HA
GLN
V
62
R
-
CD
GLN
A
87
L
-
HG2
GLN
V
62
R
-
NE2
GLN
A
87
L
-
CG
GLN
V
62
R
-
NE2
GLN
A
87
L
-
HB2
GLN
V
62
R
-
NE2
GLN
A
87
L
-
HG2
GLN
V
62
R
-
NE2
GLN
A
87
L
H
CD2
HIS
V
144
R
-
NE2
GLN
A
87
L
H
NE2
HIS
V
144
R
-
NE2
GLN
A
87
L
H
HD2
HIS
V
144
R
-
OE1
GLN
A
87
L
H
CG
HIS
V
144
R
-
OE1
GLN
A
87
L
H
CD2
HIS
V
144
R
-
OE1
GLN
A
87
L
H
HB2
HIS
V
144
R
-
CD1
LEU
A
93
L
H
HG2
ARG
V
143
R
-
CD1
LEU
A
93
L
H
HA3
GLY
V
147
R
-
CB
THR
A
688
L
H
HB2
GLN
V
155
R
-
OG1
THR
A
688
L
H
CB
GLN
V
155
R
-
OG1
THR
A
688
L
H
O
GLN
V
155
R
-
OG1
THR
A
688
L
H
HA
GLN
V
155
R
-
OG1
THR
A
688
L
H
HB2
GLN
V
155
R
-
CA
SER
A
689
L
H
CE2
PHE
V
163
R
-
CA
SER
A
689
L
H
HE2
PHE
V
163
R
-
C
SER
A
689
L
H
HE2
PHE
V
163
R
-
CB
SER
A
689
L
H
O
GLN
V
155
R
-
CB
SER
A
689
L
H
CD2
PHE
V
163
R
-
CB
SER
A
689
L
H
CE2
PHE
V
163
R
-
CB
SER
A
689
L
H
HD2
PHE
V
163
R
-
CB
SER
A
689
L
H
HE2
PHE
V
163
R
-
OG
SER
A
689
L
H
OG
SER
V
159
R
-
OG
SER
A
689
L
H
HB2
SER
V
159
R
-
OG
SER
A
689
L
H
HG
SER
V
159
R
-
OG
SER
A
689
L
H
CG
PHE
V
163
R
-
OG
SER
A
689
L
H
CD2
PHE
V
163
R
-
OG
SER
A
689
L
H
CE2
PHE
V
163
R
-
OG
SER
A
689
L
H
HB3
PHE
V
163
R
-
OG
SER
A
689
L
H
HD2
PHE
V
163
R
-
OG
SER
A
689
L
H
HE2
PHE
V
163
R
H
N
ARG
A
690
L
H
HE2
PHE
V
163
R
H
CB
ARG
A
690
L
H
HE22
GLN
V
170
R
H
CG
ARG
A
690
L
H
HH22
ARG
V
174
R
H
CD
ARG
A
690
L
H
NH2
ARG
V
174
R
H
CD
ARG
A
690
L
H
CZ
ARG
V
174
R
H
CD
ARG
A
690
L
H
HH12
ARG
V
174
R
H
CD
ARG
A
690
L
H
HH21
ARG
V
174
R
H
CD
ARG
A
690
L
H
HH22
ARG
V
174
R
H
NE
ARG
A
690
L
H
NH1
ARG
V
174
R
H
NE
ARG
A
690
L
H
NH2
ARG
V
174
R
H
NE
ARG
A
690
L
H
CZ
ARG
V
174
R
H
NE
ARG
A
690
L
H
HH12
ARG
V
174
R
H
NE
ARG
A
690
L
H
HH21
ARG
V
174
R
H
NE
ARG
A
690
L
H
HH22
ARG
V
174
R
H
NH1
ARG
A
690
L
H
CD
ARG
V
174
R
H
NH1
ARG
A
690
L
H
NE
ARG
V
174
R
H
NH1
ARG
A
690
L
H
NH1
ARG
V
174
R
H
NH1
ARG
A
690
L
H
NH2
ARG
V
174
R
H
NH1
ARG
A
690
L
H
CZ
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HD3
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HE
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HH11
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HH12
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HH21
ARG
V
174
R
H
NH1
ARG
A
690
L
H
HH22
ARG
V
174
R
H
NH2
ARG
A
690
L
H
NH1
ARG
V
174
R
H
NH2
ARG
A
690
L
H
NH2
ARG
V
174
R
H
NH2
ARG
A
690
L
H
CZ
ARG
V
174
R
H
NH2
ARG
A
690
L
H
HH11
ARG
V
174
R
H
NH2
ARG
A
690
L
H
HH12
ARG
V
174
R
H
NH2
ARG
A
690
L
H
HH21
ARG
V
174
R
H
NH2
ARG
A
690
L
H
HH22
ARG
V
174
R
H
CZ
ARG
A
690
L
H
NE
ARG
V
174
R
H
CZ
ARG
A
690
L
H
NH1
ARG
V
174
R
H
CZ
ARG
A
690
L
H
NH2
ARG
V
174
R
H
CZ
ARG
A
690
L
H
CZ
ARG
V
174
R
H
CZ
ARG
A
690
L
H
HH11
ARG
V
174
R
H
CZ
ARG
A
690
L
H
HH12
ARG
V
174
R
H
CZ
ARG
A
690
L
H
HH21
ARG
V
174
R
H
CZ
ARG
A
690
L
H
HH22
ARG
V
174
R
H
N
VAL
A
691
L
H
HD2
PHE
V
163
R
H
N
VAL
A
691
L
H
HE22
GLN
V
170
R
H
C
VAL
A
691
L
H
HG
SER
V
159
R
H
CB
VAL
A
691
L
H
HG
SER
V
159
R
H
CB
VAL
A
691
L
H
HA
PHE
V
163
R
H
CB
VAL
A
691
L
H
HD2
PHE
V
163
R
H
CB
VAL
A
691
L
-
HG12
VAL
V
166
R
H
CG1
VAL
A
691
L
H
HG
SER
V
159
R
H
CG1
VAL
A
691
L
-
HG12
VAL
V
166
R
H
CG2
VAL
A
691
L
H
HA
PHE
V
163
R
H
CG2
VAL
A
691
L
H
HD2
PHE
V
163
R
H
CG2
VAL
A
691
L
-
CG1
VAL
V
166
R
H
CG2
VAL
A
691
L
-
HG11
VAL
V
166
R
H
CG2
VAL
A
691
L
-
HG12
VAL
V
166
R
H
CG2
VAL
A
691
L
-
HG13
VAL
V
166
R
H
CG2
VAL
A
691
L
H
HE22
GLN
V
170
R
H
N
ALA
A
692
L
H
HG
SER
V
159
R
H
CA
ALA
A
692
L
H
HG
SER
V
159
R
H
CB
ALA
A
692
L
H
HG
SER
V
159
R
H
OE1
GLU
A
694
L
H
HE21
GLN
V
170