A1IGU5_Q71RG4.1
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
ALA
A
573
L
-
HIS
V
136
R
H
GLU
A
574
L
-
PRO
V
132
R
H
GLU
A
574
L
-
SER
V
133
R
H
ARG
A
577
L
-
HIS
V
136
R
-
PRO
A
591
L
-
VAL
V
13
R
-
PRO
A
591
L
-
PRO
V
15
R
-
GLN
A
606
L
H
PHE
V
288
R
S
ILE
A
608
L
H
SER
V
55
R
-
GLN
A
624
L
-
GLY
V
62
R
-
GLN
A
624
L
-
LEU
V
66
R
-
ALA
A
625
L
H
VAL
V
58
R
-
ALA
A
625
L
H
ALA
V
59
R
-
GLY
A
626
L
H
VAL
V
58
R
-
GLY
A
626
L
H
ALA
V
59
R
-
GLN
A
627
L
H
ALA
V
59
R
-
PRO
A
666
L
H
LEU
V
45
R
-
PRO
A
666
L
H
ALA
V
48
R
-
VAL
A
667
L
H
LEU
V
45
R
-
LEU
A
668
L
H
VAL
V
277
R
-
LEU
A
668
L
H
VAL
V
280
R
-
LEU
A
668
L
H
LEU
V
281
R
-
TRP
A
669
L
H
VAL
V
277
R
-
TRP
A
669
L
H
MET
V
37
R
-
TRP
A
669
L
H
ALA
V
40
R
-
TRP
A
669
L
H
GLY
V
41
R
-
TRP
A
669
L
H
VAL
V
44
R
-
GLY
A
670
L
H
LEU
V
273
R
-
GLY
A
670
L
H
VAL
V
277
R
-
TRP
A
671
L
-
ASP
V
25
R
-
TRP
A
671
L
-
VAL
V
26
R
-
TRP
A
671
L
-
VAL
V
268
R
-
TRP
A
671
L
-
THR
V
27
R
-
TRP
A
671
L
H
LEU
V
273
R
-
TRP
A
671
L
H
MET
V
37
R
-
SER
A
672
L
-
VAL
V
268
R
-
SER
A
672
L
H
VAL
V
270
R
-
SER
A
672
L
H
LEU
V
273
R
-
LEU
A
673
L
-
LEU
V
266
R
-
LEU
A
673
L
-
VAL
V
268
R
-
LEU
A
673
L
-
THR
V
27
R
-
SER
A
675
L
-
GLY
V
267
A1IGU5_Q71RG4.1
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
CB
ALA
A
573
L
-
CE1
HIS
V
136
R
H
CB
ALA
A
573
L
-
NE2
HIS
V
136
R
H
CD
GLU
A
574
L
-
HB2
PRO
V
132
R
H
OE1
GLU
A
574
L
-
HB2
PRO
V
132
R
H
OE1
GLU
A
574
L
-
H
SER
V
133
R
H
OE2
GLU
A
574
L
-
HB2
PRO
V
132
R
H
OE2
GLU
A
574
L
-
HB3
PRO
V
132
R
H
OE2
GLU
A
574
L
-
OG
SER
V
133
R
H
CD
ARG
A
577
L
-
HE1
HIS
V
136
R
H
NE
ARG
A
577
L
-
HE1
HIS
V
136
R
H
NH1
ARG
A
577
L
-
ND1
HIS
V
136
R
H
NH1
ARG
A
577
L
-
CE1
HIS
V
136
R
H
NH1
ARG
A
577
L
-
HE1
HIS
V
136
R
H
NH2
ARG
A
577
L
-
HE1
HIS
V
136
R
H
CZ
ARG
A
577
L
-
CE1
HIS
V
136
R
H
CZ
ARG
A
577
L
-
HE1
HIS
V
136
R
-
CG
PRO
A
591
L
-
CG1
VAL
V
13
R
-
CG
PRO
A
591
L
-
HG11
VAL
V
13
R
-
CG
PRO
A
591
L
-
HG12
VAL
V
13
R
-
CG
PRO
A
591
L
-
HG3
PRO
V
15
R
-
CG
PRO
A
591
L
-
HD2
PRO
V
15
R
-
CD
PRO
A
591
L
-
HG3
PRO
V
15
R
-
NE2
GLN
A
606
L
H
HE1
PHE
V
288
R
S
CD1
ILE
A
608
L
H
OG
SER
V
55
R
S
CD1
ILE
A
608
L
H
HG
SER
V
55
R
-
CG
GLN
A
624
L
-
HA3
GLY
V
62
R
-
CD
GLN
A
624
L
-
HA3
GLY
V
62
R
-
NE2
GLN
A
624
L
-
HD11
LEU
V
66
R
-
OE1
GLN
A
624
L
-
HA3
GLY
V
62
R
-
C
ALA
A
625
L
H
CG1
VAL
V
58
R
-
C
ALA
A
625
L
H
HG11
VAL
V
58
R
-
C
ALA
A
625
L
H
HG12
VAL
V
58
R
-
CB
ALA
A
625
L
H
HG11
VAL
V
58
R
-
CB
ALA
A
625
L
H
HG12
VAL
V
58
R
-
O
ALA
A
625
L
H
C
VAL
V
58
R
-
O
ALA
A
625
L
H
O
VAL
V
58
R
-
O
ALA
A
625
L
H
CG1
VAL
V
58
R
-
O
ALA
A
625
L
H
HB
VAL
V
58
R
-
O
ALA
A
625
L
H
HG11
VAL
V
58
R
-
O
ALA
A
625
L
H
HG12
VAL
V
58
R
-
O
ALA
A
625
L
H
HA
ALA
V
59
R
-
N
GLY
A
626
L
H
HG11
VAL
V
58
R
-
CA
GLY
A
626
L
H
HB
VAL
V
58
R
-
CA
GLY
A
626
L
H
HG11
VAL
V
58
R
-
C
GLY
A
626
L
H
HB2
ALA
V
59
R
-
O
GLY
A
626
L
H
HB2
ALA
V
59
R
-
N
GLN
A
627
L
H
HB2
ALA
V
59
R
-
N
PRO
A
666
L
H
HB1
ALA
V
48
R
-
CA
PRO
A
666
L
H
CB
ALA
V
48
R
-
CA
PRO
A
666
L
H
HB1
ALA
V
48
R
-
CA
PRO
A
666
L
H
HB2
ALA
V
48
R
-
CB
PRO
A
666
L
H
HD13
LEU
V
45
R
-
CB
PRO
A
666
L
H
CB
ALA
V
48
R
-
CB
PRO
A
666
L
H
HB1
ALA
V
48
R
-
CB
PRO
A
666
L
H
HB2
ALA
V
48
R
-
O
VAL
A
667
L
H
HD12
LEU
V
45
R
-
CG
LEU
A
668
L
H
CG1
VAL
V
280
R
-
CG
LEU
A
668
L
H
HG11
VAL
V
280
R
-
CG
LEU
A
668
L
H
HG13
VAL
V
280
R
-
CD1
LEU
A
668
L
H
HG11
VAL
V
280
R
-
CD1
LEU
A
668
L
H
CD1
LEU
V
281
R
-
CD1
LEU
A
668
L
H
HA
LEU
V
281
R
-
CD1
LEU
A
668
L
H
HB3
LEU
V
281
R
-
CD1
LEU
A
668
L
H
HD11
LEU
V
281
R
-
CD1
LEU
A
668
L
H
HD13
LEU
V
281
R
-
CD2
LEU
A
668
L
H
O
VAL
V
277
R
-
CD2
LEU
A
668
L
H
CG1
VAL
V
277
R
-
CD2
LEU
A
668
L
H
HA
VAL
V
277
R
-
CD2
LEU
A
668
L
H
HG11
VAL
V
277
R
-
CD2
LEU
A
668
L
H
HG12
VAL
V
277
R
-
CD2
LEU
A
668
L
H
CB
VAL
V
280
R
-
CD2
LEU
A
668
L
H
CG1
VAL
V
280
R
-
CD2
LEU
A
668
L
H
HB
VAL
V
280
R
-
CD2
LEU
A
668
L
H
HG11
VAL
V
280
R
-
CD2
LEU
A
668
L
H
HG12
VAL
V
280
R
-
CD2
LEU
A
668
L
H
HG13
VAL
V
280
R
-
CD2
LEU
A
668
L
H
H
LEU
V
281
R
-
CD2
LEU
A
668
L
H
HB3
LEU
V
281
R
-
C
TRP
A
669
L
H
HG22
VAL
V
277
R
-
CB
TRP
A
669
L
H
CA
GLY
V
41
R
-
CB
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CB
TRP
A
669
L
H
HA3
GLY
V
41
R
-
O
TRP
A
669
L
H
CG2
VAL
V
277
R
-
O
TRP
A
669
L
H
HG22
VAL
V
277
R
-
CG
TRP
A
669
L
H
CA
GLY
V
41
R
-
CG
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CG
TRP
A
669
L
H
HA3
GLY
V
41
R
-
CD1
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CD1
TRP
A
669
L
H
HG12
VAL
V
44
R
-
CD2
TRP
A
669
L
H
N
GLY
V
41
R
-
CD2
TRP
A
669
L
H
CA
GLY
V
41
R
-
CD2
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CD2
TRP
A
669
L
H
HA3
GLY
V
41
R
-
CE2
TRP
A
669
L
H
CA
GLY
V
41
R
-
CE2
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CE2
TRP
A
669
L
H
HB
VAL
V
44
R
-
CE2
TRP
A
669
L
H
HG12
VAL
V
44
R
-
CE2
TRP
A
669
L
H
HG23
VAL
V
44
R
-
CE3
TRP
A
669
L
H
O
MET
V
37
R
-
CE3
TRP
A
669
L
H
HG2
MET
V
37
R
-
CE3
TRP
A
669
L
H
HG3
MET
V
37
R
-
CE3
TRP
A
669
L
H
N
GLY
V
41
R
-
CE3
TRP
A
669
L
H
CA
GLY
V
41
R
-
CE3
TRP
A
669
L
H
H
GLY
V
41
R
-
CE3
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CE3
TRP
A
669
L
H
HA3
GLY
V
41
R
-
NE1
TRP
A
669
L
H
HA2
GLY
V
41
R
-
NE1
TRP
A
669
L
H
CG1
VAL
V
44
R
-
NE1
TRP
A
669
L
H
HB
VAL
V
44
R
-
NE1
TRP
A
669
L
H
HG11
VAL
V
44
R
-
NE1
TRP
A
669
L
H
HG12
VAL
V
44
R
-
NE1
TRP
A
669
L
H
HG23
VAL
V
44
R
-
CH2
TRP
A
669
L
H
HB1
ALA
V
40
R
-
CH2
TRP
A
669
L
H
HB2
ALA
V
40
R
-
CH2
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CH2
TRP
A
669
L
H
HG23
VAL
V
44
R
-
CZ2
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CZ2
TRP
A
669
L
H
CG2
VAL
V
44
R
-
CZ2
TRP
A
669
L
H
HB
VAL
V
44
R
-
CZ2
TRP
A
669
L
H
HG12
VAL
V
44
R
-
CZ2
TRP
A
669
L
H
HG23
VAL
V
44
R
-
CZ3
TRP
A
669
L
H
O
MET
V
37
R
-
CZ3
TRP
A
669
L
H
HA
MET
V
37
R
-
CZ3
TRP
A
669
L
H
HG2
MET
V
37
R
-
CZ3
TRP
A
669
L
H
HG3
MET
V
37
R
-
CZ3
TRP
A
669
L
H
C
ALA
V
40
R
-
CZ3
TRP
A
669
L
H
CB
ALA
V
40
R
-
CZ3
TRP
A
669
L
H
HB1
ALA
V
40
R
-
CZ3
TRP
A
669
L
H
HB2
ALA
V
40
R
-
CZ3
TRP
A
669
L
H
N
GLY
V
41
R
-
CZ3
TRP
A
669
L
H
CA
GLY
V
41
R
-
CZ3
TRP
A
669
L
H
H
GLY
V
41
R
-
CZ3
TRP
A
669
L
H
HA2
GLY
V
41
R
-
CZ3
TRP
A
669
L
H
HA3
GLY
V
41
R
-
CA
GLY
A
670
L
H
HD23
LEU
V
273
R
-
CA
GLY
A
670
L
H
HG22
VAL
V
277
R
-
CA
GLY
A
670
L
H
HG23
VAL
V
277
R
-
C
GLY
A
670
L
H
HD23
LEU
V
273
R
-
O
GLY
A
670
L
H
HD23
LEU
V
273
R
-
N
TRP
A
671
L
H
CD2
LEU
V
273
R
-
N
TRP
A
671
L
H
HD23
LEU
V
273
R
-
CA
TRP
A
671
L
H
HD23
LEU
V
273
R
-
C
TRP
A
671
L
H
CD2
LEU
V
273
R
-
C
TRP
A
671
L
H
HD21
LEU
V
273
R
-
C
TRP
A
671
L
H
HD22
LEU
V
273
R
-
C
TRP
A
671
L
H
HD23
LEU
V
273
R
-
CB
TRP
A
671
L
H
SD
MET
V
37
R
-
O
TRP
A
671
L
-
HG12
VAL
V
268
R
-
O
TRP
A
671
L
-
HG23
VAL
V
268
R
-
O
TRP
A
671
L
H
CG
LEU
V
273
R
-
O
TRP
A
671
L
H
CD2
LEU
V
273
R
-
O
TRP
A
671
L
H
HD13
LEU
V
273
R
-
O
TRP
A
671
L
H
HD21
LEU
V
273
R
-
O
TRP
A
671
L
H
HD22
LEU
V
273
R
-
O
TRP
A
671
L
H
HD23
LEU
V
273
R
-
CG
TRP
A
671
L
H
SD
MET
V
37
R
-
CD1
TRP
A
671
L
H
SD
MET
V
37
R
-
CE3
TRP
A
671
L
-
HG23
THR
V
27
R
-
NE1
TRP
A
671
L
H
SD
MET
V
37
R
-
CH2
TRP
A
671
L
-
O
VAL
V
26
R
-
CZ3
TRP
A
671
L
-
HB3
ASP
V
25
R
-
CZ3
TRP
A
671
L
-
O
VAL
V
26
R
-
CZ3
TRP
A
671
L
-
HA
THR
V
27
R
-
CZ3
TRP
A
671
L
-
HG23
THR
V
27
R
-
N
SER
A
672
L
-
HG23
VAL
V
268
R
-
N
SER
A
672
L
H
CD2
LEU
V
273
R
-
N
SER
A
672
L
H
HD21
LEU
V
273
R
-
N
SER
A
672
L
H
HD22
LEU
V
273
R
-
N
SER
A
672
L
H
HD23
LEU
V
273
R
-
CA
SER
A
672
L
-
CG2
VAL
V
268
R
-
CA
SER
A
672
L
-
HG21
VAL
V
268
R
-
CA
SER
A
672
L
-
HG23
VAL
V
268
R
-
CA
SER
A
672
L
H
HD21
LEU
V
273
R
-
CA
SER
A
672
L
H
HD22
LEU
V
273
R
-
C
SER
A
672
L
-
CG2
VAL
V
268
R
-
C
SER
A
672
L
-
HG21
VAL
V
268
R
-
C
SER
A
672
L
-
HG22
VAL
V
268
R
-
C
SER
A
672
L
-
HG23
VAL
V
268
R
-
CB
SER
A
672
L
-
HG21
VAL
V
268
R
-
CB
SER
A
672
L
-
HG23
VAL
V
268
R
-
CB
SER
A
672
L
H
HG23
VAL
V
270
R
-
CB
SER
A
672
L
H
HD21
LEU
V
273
R
-
O
SER
A
672
L
-
HG23
VAL
V
268
R
-
N
LEU
A
673
L
-
CB
VAL
V
268
R
-
N
LEU
A
673
L
-
CG2
VAL
V
268
R
-
N
LEU
A
673
L
-
HG12
VAL
V
268
R
-
N
LEU
A
673
L
-
HG21
VAL
V
268
R
-
N
LEU
A
673
L
-
HG22
VAL
V
268
R
-
N
LEU
A
673
L
-
HG23
VAL
V
268
R
-
CA
LEU
A
673
L
-
CG2
VAL
V
268
R
-
CA
LEU
A
673
L
-
HG21
VAL
V
268
R
-
CA
LEU
A
673
L
-
HG22
VAL
V
268
R
-
CA
LEU
A
673
L
-
HG23
VAL
V
268
R
-
C
LEU
A
673
L
-
CG2
VAL
V
268
R
-
C
LEU
A
673
L
-
HG21
VAL
V
268
R
-
C
LEU
A
673
L
-
HG22
VAL
V
268
R
-
C
LEU
A
673
L
-
HG23
VAL
V
268
R
-
CB
LEU
A
673
L
-
CG2
VAL
V
268
R
-
CB
LEU
A
673
L
-
H
VAL
V
268
R
-
CB
LEU
A
673
L
-
HG13
VAL
V
268
R
-
CB
LEU
A
673
L
-
HG21
VAL
V
268
R
-
CB
LEU
A
673
L
-
HG22
VAL
V
268
R
-
CB
LEU
A
673
L
-
HG23
VAL
V
268
R
-
O
LEU
A
673
L
-
CG2
VAL
V
268
R
-
O
LEU
A
673
L
-
H
VAL
V
268
R
-
O
LEU
A
673
L
-
HG21
VAL
V
268
R
-
O
LEU
A
673
L
-
HG22
VAL
V
268
R
-
O
LEU
A
673
L
-
HG23
VAL
V
268
R
-
CG
LEU
A
673
L
-
HG21
THR
V
27
R
-
CG
LEU
A
673
L
-
HG22
VAL
V
268
R
-
CD1
LEU
A
673
L
-
HG21
THR
V
27
R
-
CD1
LEU
A
673
L
-
HD23
LEU
V
266
R
-
CD1
LEU
A
673
L
-
HG12
VAL
V
268
R
-
CD1
LEU
A
673
L
-
HG13
VAL
V
268
R
-
CD2
LEU
A
673
L
-
CG2
THR
V
27
R
-
CD2
LEU
A
673
L
-
HG21
THR
V
27
R
-
CD2
LEU
A
673
L
-
HG22
THR
V
27
R
-
N
SER
A
675
L
-
HA2
GLY
V
267
R
-
CA
SER
A
675
L
-
HA2
GLY
V
267
R
-
CB
SER
A
675
L
-
HA2
GLY
V
267
R
-
CB
SER
A
675
L
-
HA3
GLY
V
267
R
-
OG
SER
A
675
L
-
CA
GLY
V
267
R
-
OG
SER
A
675
L
-
HA2
GLY
V
267
R
-
OG
SER
A
675
L
-
HA3
GLY
V
267