A1IGU5_P51671.1
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
TYR
A
293
L
-
GLN
V
20
R
H
TYR
A
293
L
-
GLY
V
21
R
H
TYR
A
293
L
-
LEU
V
22
R
H
ASN
A
296
L
-
LEU
V
22
R
H
ASN
A
296
L
-
ALA
V
23
R
H
ASN
A
296
L
-
GLY
V
24
R
H
ASN
A
296
L
-
ALA
V
26
R
H
LEU
A
297
L
-
LEU
V
22
R
H
LEU
A
297
L
-
GLY
V
24
R
H
ALA
A
299
L
-
GLY
V
24
R
H
ALA
A
299
L
-
PRO
V
25
R
H
ALA
A
299
L
-
ALA
V
26
R
H
ALA
A
299
L
-
SER
V
27
R
H
PHE
A
300
L
-
LEU
V
22
R
H
PHE
A
300
L
-
GLY
V
24
R
H
PHE
A
300
L
-
PRO
V
25
R
H
PHE
A
332
L
-
LEU
V
22
R
H
MET
A
421
L
H
PHE
V
17
R
H
VAL
A
425
L
H
ALA
V
16
R
H
VAL
A
425
L
H
PHE
V
17
R
H
GLN
A
428
L
-
GLN
V
20
R
-
GLU
A
592
L
H
LYS
V
86
R
-
PRO
A
593
L
H
LYS
V
79
R
-
PRO
A
593
L
H
LYS
V
86
R
-
SER
A
594
L
H
LYS
V
79
R
-
SER
A
594
L
H
ASP
V
83
R
-
PRO
A
595
L
H
ASP
V
83
R
-
PRO
A
595
L
H
LYS
V
86
R
-
PRO
A
595
L
H
TYR
V
87
R
-
ALA
A
596
L
-
LYS
V
40
R
-
ALA
A
596
L
H
LEU
V
43
R
-
ALA
A
596
L
H
ASP
V
83
R
-
LEU
A
597
L
-
LYS
V
40
R
-
LEU
A
597
L
H
LEU
V
43
R
-
VAL
A
598
L
-
LYS
V
40
R
-
VAL
A
598
L
-
ILE
V
41
R
-
VAL
A
598
L
-
PRO
V
42
R
-
VAL
A
598
L
H
LEU
V
43
R
-
VAL
A
598
L
H
GLN
V
44
R
-
PRO
A
599
L
-
PRO
V
42
R
-
PRO
A
599
L
H
GLN
V
44
R
-
SER
A
600
L
H
GLN
V
44
R
-
ILE
A
601
L
H
ARG
V
45
R
-
GLY
A
670
L
-
ARG
V
39
R
-
TRP
A
671
L
-
ARG
V
39
A1IGU5_P51671.1
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
CG
TYR
A
293
L
-
HA2
GLY
V
21
R
H
CD2
TYR
A
293
L
-
CA
GLY
V
21
R
H
CD2
TYR
A
293
L
-
HA2
GLY
V
21
R
H
CD2
TYR
A
293
L
-
HA3
GLY
V
21
R
H
CE2
TYR
A
293
L
-
C
GLN
V
20
R
H
CE2
TYR
A
293
L
-
O
GLN
V
20
R
H
CE2
TYR
A
293
L
-
N
GLY
V
21
R
H
CE2
TYR
A
293
L
-
CA
GLY
V
21
R
H
CE2
TYR
A
293
L
-
C
GLY
V
21
R
H
CE2
TYR
A
293
L
-
HA2
GLY
V
21
R
H
CE2
TYR
A
293
L
-
HA3
GLY
V
21
R
H
CE2
TYR
A
293
L
-
N
LEU
V
22
R
H
CE2
TYR
A
293
L
-
H
LEU
V
22
R
H
OH
TYR
A
293
L
-
O
GLN
V
20
R
H
OH
TYR
A
293
L
-
HA2
GLY
V
21
R
H
OH
TYR
A
293
L
-
H
LEU
V
22
R
H
OH
TYR
A
293
L
-
HB2
LEU
V
22
R
H
OH
TYR
A
293
L
-
HD11
LEU
V
22
R
H
CZ
TYR
A
293
L
-
O
GLN
V
20
R
H
CZ
TYR
A
293
L
-
CA
GLY
V
21
R
H
CZ
TYR
A
293
L
-
HA2
GLY
V
21
R
H
CZ
TYR
A
293
L
-
H
LEU
V
22
R
H
CA
ASN
A
296
L
-
O
LEU
V
22
R
H
CA
ASN
A
296
L
-
HA
ALA
V
23
R
H
CA
ASN
A
296
L
-
N
GLY
V
24
R
H
CA
ASN
A
296
L
-
H
GLY
V
24
R
H
C
ASN
A
296
L
-
O
LEU
V
22
R
H
C
ASN
A
296
L
-
N
GLY
V
24
R
H
C
ASN
A
296
L
-
H
GLY
V
24
R
H
C
ASN
A
296
L
-
HA2
GLY
V
24
R
H
CB
ASN
A
296
L
-
O
LEU
V
22
R
H
CB
ASN
A
296
L
-
CA
ALA
V
23
R
H
CB
ASN
A
296
L
-
C
ALA
V
23
R
H
CB
ASN
A
296
L
-
HA
ALA
V
23
R
H
CB
ASN
A
296
L
-
N
GLY
V
24
R
H
CB
ASN
A
296
L
-
H
GLY
V
24
R
H
O
ASN
A
296
L
-
O
LEU
V
22
R
H
O
ASN
A
296
L
-
N
GLY
V
24
R
H
O
ASN
A
296
L
-
CA
GLY
V
24
R
H
O
ASN
A
296
L
-
C
GLY
V
24
R
H
O
ASN
A
296
L
-
H
GLY
V
24
R
H
O
ASN
A
296
L
-
HA2
GLY
V
24
R
H
CG
ASN
A
296
L
-
CA
ALA
V
23
R
H
CG
ASN
A
296
L
-
HA
ALA
V
23
R
H
CG
ASN
A
296
L
-
HB1
ALA
V
23
R
H
CG
ASN
A
296
L
-
H
GLY
V
24
R
H
ND2
ASN
A
296
L
-
CA
ALA
V
23
R
H
ND2
ASN
A
296
L
-
CB
ALA
V
23
R
H
ND2
ASN
A
296
L
-
HA
ALA
V
23
R
H
ND2
ASN
A
296
L
-
HB1
ALA
V
23
R
H
ND2
ASN
A
296
L
-
HB2
ALA
V
23
R
H
OD1
ASN
A
296
L
-
HA
ALA
V
23
R
H
OD1
ASN
A
296
L
-
HB1
ALA
V
23
R
H
OD1
ASN
A
296
L
-
O
GLY
V
24
R
H
OD1
ASN
A
296
L
-
HB3
ALA
V
26
R
H
N
LEU
A
297
L
-
O
LEU
V
22
R
H
N
LEU
A
297
L
-
H
GLY
V
24
R
H
CD1
LEU
A
297
L
-
HD11
LEU
V
22
R
H
CA
ALA
A
299
L
-
O
PRO
V
25
R
H
C
ALA
A
299
L
-
HA2
GLY
V
24
R
H
C
ALA
A
299
L
-
HG2
PRO
V
25
R
H
C
ALA
A
299
L
-
HD3
PRO
V
25
R
H
CB
ALA
A
299
L
-
C
GLY
V
24
R
H
CB
ALA
A
299
L
-
O
GLY
V
24
R
H
CB
ALA
A
299
L
-
HA2
GLY
V
24
R
H
CB
ALA
A
299
L
-
N
PRO
V
25
R
H
CB
ALA
A
299
L
-
C
PRO
V
25
R
H
CB
ALA
A
299
L
-
O
PRO
V
25
R
H
CB
ALA
A
299
L
-
HG2
PRO
V
25
R
H
CB
ALA
A
299
L
-
N
ALA
V
26
R
H
CB
ALA
A
299
L
-
CA
ALA
V
26
R
H
CB
ALA
A
299
L
-
HA
ALA
V
26
R
H
CB
ALA
A
299
L
-
N
SER
V
27
R
H
CB
ALA
A
299
L
-
H
SER
V
27
R
H
CB
ALA
A
299
L
-
HB2
SER
V
27
R
H
O
ALA
A
299
L
-
HG2
PRO
V
25
R
H
O
ALA
A
299
L
-
HD3
PRO
V
25
R
H
N
PHE
A
300
L
-
CA
GLY
V
24
R
H
N
PHE
A
300
L
-
HA2
GLY
V
24
R
H
N
PHE
A
300
L
-
HD3
PRO
V
25
R
H
CA
PHE
A
300
L
-
HA2
GLY
V
24
R
H
CA
PHE
A
300
L
-
HA3
GLY
V
24
R
H
CA
PHE
A
300
L
-
HD3
PRO
V
25
R
H
CB
PHE
A
300
L
-
CA
GLY
V
24
R
H
CB
PHE
A
300
L
-
HA2
GLY
V
24
R
H
CB
PHE
A
300
L
-
HA3
GLY
V
24
R
H
CG
PHE
A
300
L
-
HB3
LEU
V
22
R
H
CD1
PHE
A
300
L
-
HD12
LEU
V
22
R
H
CD2
PHE
A
300
L
-
HD23
LEU
V
22
R
H
CE1
PHE
A
300
L
-
HD12
LEU
V
22
R
H
CE2
PHE
A
300
L
-
HD23
LEU
V
22
R
H
CZ
PHE
A
300
L
-
HD23
LEU
V
22
R
H
CE1
PHE
A
332
L
-
CD1
LEU
V
22
R
H
CE1
PHE
A
332
L
-
HD12
LEU
V
22
R
H
CE1
PHE
A
332
L
-
HD13
LEU
V
22
R
H
CZ
PHE
A
332
L
-
HD13
LEU
V
22
R
H
CE
MET
A
421
L
H
HZ
PHE
V
17
R
H
CB
VAL
A
425
L
H
HD2
PHE
V
17
R
H
CB
VAL
A
425
L
H
HE2
PHE
V
17
R
H
CG1
VAL
A
425
L
H
O
ALA
V
16
R
H
CG1
VAL
A
425
L
H
CD2
PHE
V
17
R
H
CG1
VAL
A
425
L
H
HA
PHE
V
17
R
H
CG1
VAL
A
425
L
H
HD2
PHE
V
17
R
H
CG2
VAL
A
425
L
H
CD2
PHE
V
17
R
H
CG2
VAL
A
425
L
H
CE2
PHE
V
17
R
H
CG2
VAL
A
425
L
H
HD2
PHE
V
17
R
H
CG2
VAL
A
425
L
H
HE2
PHE
V
17
R
H
CD
GLN
A
428
L
-
HB2
GLN
V
20
R
H
OE1
GLN
A
428
L
-
HB2
GLN
V
20
R
-
CG
GLU
A
592
L
H
HZ1
LYS
V
86
R
-
CG
GLU
A
592
L
H
HZ3
LYS
V
86
R
-
CD
GLU
A
592
L
H
HZ1
LYS
V
86
R
-
OE1
GLU
A
592
L
H
HZ1
LYS
V
86
R
-
N
PRO
A
593
L
H
HZ3
LYS
V
86
R
-
CA
PRO
A
593
L
H
HE2
LYS
V
79
R
-
CA
PRO
A
593
L
H
HZ1
LYS
V
79
R
-
CA
PRO
A
593
L
H
HZ2
LYS
V
79
R
-
C
PRO
A
593
L
H
HZ1
LYS
V
79
R
-
C
PRO
A
593
L
H
HZ2
LYS
V
79
R
-
C
PRO
A
593
L
H
HZ2
LYS
V
86
R
-
C
PRO
A
593
L
H
HZ3
LYS
V
86
R
-
CB
PRO
A
593
L
H
CE
LYS
V
79
R
-
CB
PRO
A
593
L
H
NZ
LYS
V
79
R
-
CB
PRO
A
593
L
H
HE2
LYS
V
79
R
-
CB
PRO
A
593
L
H
HZ1
LYS
V
79
R
-
CB
PRO
A
593
L
H
HZ2
LYS
V
79
R
-
O
PRO
A
593
L
H
CD
LYS
V
86
R
-
O
PRO
A
593
L
H
CE
LYS
V
86
R
-
O
PRO
A
593
L
H
NZ
LYS
V
86
R
-
O
PRO
A
593
L
H
HD2
LYS
V
86
R
-
O
PRO
A
593
L
H
HD3
LYS
V
86
R
-
O
PRO
A
593
L
H
HZ1
LYS
V
86
R
-
O
PRO
A
593
L
H
HZ2
LYS
V
86
R
-
O
PRO
A
593
L
H
HZ3
LYS
V
86
R
-
CG
PRO
A
593
L
H
HE2
LYS
V
79
R
-
CD
PRO
A
593
L
H
HZ3
LYS
V
86
R
-
N
SER
A
594
L
H
HZ2
LYS
V
79
R
-
C
SER
A
594
L
H
HZ2
LYS
V
79
R
-
C
SER
A
594
L
H
OD1
ASP
V
83
R
-
O
SER
A
594
L
H
NZ
LYS
V
79
R
-
O
SER
A
594
L
H
HZ1
LYS
V
79
R
-
O
SER
A
594
L
H
HZ2
LYS
V
79
R
-
O
SER
A
594
L
H
HZ3
LYS
V
79
R
-
O
SER
A
594
L
H
CG
ASP
V
83
R
-
O
SER
A
594
L
H
OD1
ASP
V
83
R
-
O
SER
A
594
L
H
OD2
ASP
V
83
R
-
N
PRO
A
595
L
H
OD1
ASP
V
83
R
-
N
PRO
A
595
L
H
HB2
ASP
V
83
R
-
CA
PRO
A
595
L
H
CB
ASP
V
83
R
-
CA
PRO
A
595
L
H
CG
ASP
V
83
R
-
CA
PRO
A
595
L
H
OD1
ASP
V
83
R
-
CA
PRO
A
595
L
H
OD2
ASP
V
83
R
-
CA
PRO
A
595
L
H
HB2
ASP
V
83
R
-
C
PRO
A
595
L
H
HB2
ASP
V
83
R
-
CB
PRO
A
595
L
H
CA
ASP
V
83
R
-
CB
PRO
A
595
L
H
C
ASP
V
83
R
-
CB
PRO
A
595
L
H
CB
ASP
V
83
R
-
CB
PRO
A
595
L
H
O
ASP
V
83
R
-
CB
PRO
A
595
L
H
HA
ASP
V
83
R
-
CB
PRO
A
595
L
H
HB2
ASP
V
83
R
-
CB
PRO
A
595
L
H
HB2
TYR
V
87
R
-
CG
PRO
A
595
L
H
O
ASP
V
83
R
-
CG
PRO
A
595
L
H
HA
ASP
V
83
R
-
CG
PRO
A
595
L
H
HB2
ASP
V
83
R
-
CG
PRO
A
595
L
H
HB3
LYS
V
86
R
-
CG
PRO
A
595
L
H
HD3
LYS
V
86
R
-
CG
PRO
A
595
L
H
HB2
TYR
V
87
R
-
CD
PRO
A
595
L
H
HD3
LYS
V
86
R
-
N
ALA
A
596
L
-
HZ1
LYS
V
40
R
-
N
ALA
A
596
L
-
HZ3
LYS
V
40
R
-
N
ALA
A
596
L
H
HB2
ASP
V
83
R
-
CA
ALA
A
596
L
-
NZ
LYS
V
40
R
-
CA
ALA
A
596
L
-
HZ1
LYS
V
40
R
-
CA
ALA
A
596
L
-
HZ2
LYS
V
40
R
-
CA
ALA
A
596
L
-
HZ3
LYS
V
40
R
-
C
ALA
A
596
L
-
NZ
LYS
V
40
R
-
C
ALA
A
596
L
-
HZ1
LYS
V
40
R
-
C
ALA
A
596
L
-
HZ2
LYS
V
40
R
-
C
ALA
A
596
L
-
HZ3
LYS
V
40
R
-
C
ALA
A
596
L
H
HD13
LEU
V
43
R
-
CB
ALA
A
596
L
-
NZ
LYS
V
40
R
-
CB
ALA
A
596
L
-
HZ1
LYS
V
40
R
-
CB
ALA
A
596
L
-
HZ2
LYS
V
40
R
-
CB
ALA
A
596
L
-
HZ3
LYS
V
40
R
-
O
ALA
A
596
L
-
CE
LYS
V
40
R
-
O
ALA
A
596
L
-
NZ
LYS
V
40
R
-
O
ALA
A
596
L
-
HE2
LYS
V
40
R
-
O
ALA
A
596
L
-
HE3
LYS
V
40
R
-
O
ALA
A
596
L
-
HZ1
LYS
V
40
R
-
O
ALA
A
596
L
-
HZ2
LYS
V
40
R
-
O
ALA
A
596
L
-
HZ3
LYS
V
40
R
-
O
ALA
A
596
L
H
CD1
LEU
V
43
R
-
O
ALA
A
596
L
H
HG
LEU
V
43
R
-
O
ALA
A
596
L
H
HD11
LEU
V
43
R
-
O
ALA
A
596
L
H
HD13
LEU
V
43
R
-
N
LEU
A
597
L
-
HZ1
LYS
V
40
R
-
N
LEU
A
597
L
-
HZ2
LYS
V
40
R
-
CA
LEU
A
597
L
-
HZ1
LYS
V
40
R
-
CA
LEU
A
597
L
H
HD11
LEU
V
43
R
-
C
LEU
A
597
L
-
HZ1
LYS
V
40
R
-
C
LEU
A
597
L
-
HZ2
LYS
V
40
R
-
O
LEU
A
597
L
-
HZ2
LYS
V
40
R
-
N
VAL
A
598
L
-
HE2
LYS
V
40
R
-
N
VAL
A
598
L
-
HZ1
LYS
V
40
R
-
N
VAL
A
598
L
-
HZ2
LYS
V
40
R
-
CA
VAL
A
598
L
-
HE2
LYS
V
40
R
-
CA
VAL
A
598
L
-
HA
PRO
V
42
R
-
C
VAL
A
598
L
-
HB2
PRO
V
42
R
-
C
VAL
A
598
L
H
OE1
GLN
V
44
R
-
C
VAL
A
598
L
H
HE22
GLN
V
44
R
-
CB
VAL
A
598
L
-
HG2
LYS
V
40
R
-
CB
VAL
A
598
L
-
HE2
LYS
V
40
R
-
CB
VAL
A
598
L
-
CA
PRO
V
42
R
-
CB
VAL
A
598
L
-
CB
PRO
V
42
R
-
CB
VAL
A
598
L
-
HA
PRO
V
42
R
-
CB
VAL
A
598
L
-
HB2
PRO
V
42
R
-
CB
VAL
A
598
L
-
HG3
PRO
V
42
R
-
CB
VAL
A
598
L
H
H
LEU
V
43
R
-
O
VAL
A
598
L
-
HB2
PRO
V
42
R
-
O
VAL
A
598
L
H
CD
GLN
V
44
R
-
O
VAL
A
598
L
H
NE2
GLN
V
44
R
-
O
VAL
A
598
L
H
OE1
GLN
V
44
R
-
O
VAL
A
598
L
H
HE21
GLN
V
44
R
-
O
VAL
A
598
L
H
HE22
GLN
V
44
R
-
CG1
VAL
A
598
L
-
N
PRO
V
42
R
-
CG1
VAL
A
598
L
-
CA
PRO
V
42
R
-
CG1
VAL
A
598
L
-
CB
PRO
V
42
R
-
CG1
VAL
A
598
L
-
CG
PRO
V
42
R
-
CG1
VAL
A
598
L
-
HA
PRO
V
42
R
-
CG1
VAL
A
598
L
-
HB2
PRO
V
42
R
-
CG1
VAL
A
598
L
-
HG3
PRO
V
42
R
-
CG2
VAL
A
598
L
-
CG
LYS
V
40
R
-
CG2
VAL
A
598
L
-
CD
LYS
V
40
R
-
CG2
VAL
A
598
L
-
CE
LYS
V
40
R
-
CG2
VAL
A
598
L
-
NZ
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HG2
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HD3
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HE2
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HE3
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HZ1
LYS
V
40
R
-
CG2
VAL
A
598
L
-
HZ2
LYS
V
40
R
-
CG2
VAL
A
598
L
-
O
ILE
V
41
R
-
CG2
VAL
A
598
L
-
CA
PRO
V
42
R
-
CG2
VAL
A
598
L
-
HA
PRO
V
42
R
-
CG2
VAL
A
598
L
H
H
LEU
V
43
R
-
N
PRO
A
599
L
H
HE22
GLN
V
44
R
-
CA
PRO
A
599
L
H
HE22
GLN
V
44
R
-
O
PRO
A
599
L
-
HB2
PRO
V
42
R
-
N
SER
A
600
L
H
HE22
GLN
V
44
R
-
CB
SER
A
600
L
H
HB2
GLN
V
44
R
-
CB
SER
A
600
L
H
HG2
GLN
V
44
R
-
OG
SER
A
600
L
H
CG
GLN
V
44
R
-
OG
SER
A
600
L
H
CD
GLN
V
44
R
-
OG
SER
A
600
L
H
NE2
GLN
V
44
R
-
OG
SER
A
600
L
H
OE1
GLN
V
44
R
-
OG
SER
A
600
L
H
HB2
GLN
V
44
R
-
OG
SER
A
600
L
H
HG2
GLN
V
44
R
-
OG
SER
A
600
L
H
HE21
GLN
V
44
R
-
OG
SER
A
600
L
H
HE22
GLN
V
44
R
-
C
ILE
A
601
L
H
HH21
ARG
V
45
R
-
O
ILE
A
601
L
H
NH2
ARG
V
45
R
-
O
ILE
A
601
L
H
HH21
ARG
V
45
R
-
O
ILE
A
601
L
H
HH22
ARG
V
45
R
-
N
GLY
A
670
L
-
NH2
ARG
V
39
R
-
N
GLY
A
670
L
-
HH21
ARG
V
39
R
-
N
GLY
A
670
L
-
HH22
ARG
V
39
R
-
CA
GLY
A
670
L
-
NH2
ARG
V
39
R
-
CA
GLY
A
670
L
-
HH21
ARG
V
39
R
-
CA
GLY
A
670
L
-
HH22
ARG
V
39
R
-
C
GLY
A
670
L
-
NH2
ARG
V
39
R
-
C
GLY
A
670
L
-
HH21
ARG
V
39
R
-
C
GLY
A
670
L
-
HH22
ARG
V
39
R
-
O
GLY
A
670
L
-
NE
ARG
V
39
R
-
O
GLY
A
670
L
-
NH2
ARG
V
39
R
-
O
GLY
A
670
L
-
CZ
ARG
V
39
R
-
O
GLY
A
670
L
-
HE
ARG
V
39
R
-
O
GLY
A
670
L
-
HH21
ARG
V
39
R
-
O
GLY
A
670
L
-
HH22
ARG
V
39
R
-
N
TRP
A
671
L
-
HH21
ARG
V
39
R
-
N
TRP
A
671
L
-
HH22
ARG
V
39
R
-
CA
TRP
A
671
L
-
HH21
ARG
V
39