A1IGU5_O75791.1
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
-
ARG
V
179
R
H
ASN
A
296
L
-
MET
V
182
R
H
ALA
A
299
L
-
MET
V
182
R
H
ALA
A
299
L
-
ASN
V
183
R
H
PHE
A
300
L
-
PRO
V
180
R
H
PHE
A
300
L
-
SER
V
181
R
H
TYR
A
302
L
-
ASN
V
183
R
H
TYR
A
302
L
-
ARG
V
184
R
H
TYR
A
302
L
-
LYS
V
185
R
-
PHE
A
303
L
-
SER
V
181
R
-
PHE
A
303
L
-
ASN
V
183
R
-
PHE
A
303
L
-
ARG
V
184
R
-
ARG
A
304
L
-
ARG
V
184
R
H
GLU
A
307
L
-
ARG
V
184
R
-
TYR
A
308
L
-
ARG
V
184
R
-
LEU
A
310
L
-
ARG
V
163
R
-
ILE
A
312
L
-
ASP
V
161
R
-
ILE
A
312
L
-
ARG
V
163
R
-
PRO
A
313
L
-
SER
V
159
R
-
PRO
A
313
L
-
ASP
V
161
R
-
GLU
A
314
L
-
ASN
V
158
R
-
GLU
A
314
L
-
ASP
V
161
R
H
PRO
A
316
L
-
ARG
V
163
R
H
PRO
A
316
L
-
GLN
V
165
R
H
ALA
A
317
L
-
ARG
V
163
R
H
MET
A
443
L
-
HIS
V
169
R
-
LEU
A
446
L
-
GLN
V
165
R
-
LEU
A
446
L
-
GLY
V
166
R
-
HIS
A
448
L
-
SER
V
164
R
-
HIS
A
448
L
-
GLN
V
165
R
-
HIS
A
448
L
-
GLY
V
166
R
-
HIS
A
448
L
-
GLY
V
167
R
-
HIS
A
448
L
-
PRO
V
168
R
-
HIS
A
449
L
-
GLY
V
167
R
-
HIS
A
449
L
-
PRO
V
168
R
-
HIS
A
449
L
-
HIS
V
169
R
-
HIS
A
450
L
-
PRO
V
168
R
-
VAL
A
451
L
-
PRO
V
168
R
H
PHE
A
456
L
-
GLN
V
165
R
H
PHE
A
456
L
-
GLY
V
166
R
H
PHE
A
456
L
-
GLY
V
167
R
H
LEU
A
459
L
-
SER
V
164
R
H
VAL
A
460
L
-
GLN
V
165
R
H
ALA
A
463
L
-
SER
V
164
R
H
THR
A
467
L
-
ARG
V
162
R
H
GLN
A
470
L
-
ARG
V
162
A1IGU5_O75791.1
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
CD2
TYR
A
293
L
-
HH12
ARG
V
179
R
H
CD2
TYR
A
293
L
-
HH22
ARG
V
179
R
H
CE2
TYR
A
293
L
-
NH2
ARG
V
179
R
H
CE2
TYR
A
293
L
-
HH12
ARG
V
179
R
H
CE2
TYR
A
293
L
-
HH22
ARG
V
179
R
H
OH
TYR
A
293
L
-
HH22
ARG
V
179
R
H
CZ
TYR
A
293
L
-
HH22
ARG
V
179
R
H
OD1
ASN
A
296
L
-
HE1
MET
V
182
R
H
OD1
ASN
A
296
L
-
HE2
MET
V
182
R
H
CA
ALA
A
299
L
-
HD21
ASN
V
183
R
H
CA
ALA
A
299
L
-
HD22
ASN
V
183
R
H
CB
ALA
A
299
L
-
HG2
MET
V
182
R
H
CB
ALA
A
299
L
-
HD21
ASN
V
183
R
H
O
ALA
A
299
L
-
ND2
ASN
V
183
R
H
O
ALA
A
299
L
-
HD22
ASN
V
183
R
H
CG
PHE
A
300
L
-
HG3
PRO
V
180
R
H
CD2
PHE
A
300
L
-
CG
PRO
V
180
R
H
CD2
PHE
A
300
L
-
HG3
PRO
V
180
R
H
CD2
PHE
A
300
L
-
HB2
SER
V
181
R
H
CE2
PHE
A
300
L
-
CG
PRO
V
180
R
H
CE2
PHE
A
300
L
-
HG2
PRO
V
180
R
H
CE2
PHE
A
300
L
-
HG3
PRO
V
180
R
H
CE2
PHE
A
300
L
-
HB2
SER
V
181
R
H
C
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CB
TYR
A
302
L
-
ND2
ASN
V
183
R
H
CB
TYR
A
302
L
-
OD1
ASN
V
183
R
H
CB
TYR
A
302
L
-
HD22
ASN
V
183
R
H
O
TYR
A
302
L
-
CD
ARG
V
184
R
H
O
TYR
A
302
L
-
NE
ARG
V
184
R
H
O
TYR
A
302
L
-
NH1
ARG
V
184
R
H
O
TYR
A
302
L
-
CZ
ARG
V
184
R
H
O
TYR
A
302
L
-
HG2
ARG
V
184
R
H
O
TYR
A
302
L
-
HD2
ARG
V
184
R
H
O
TYR
A
302
L
-
HH11
ARG
V
184
R
H
O
TYR
A
302
L
-
HH12
ARG
V
184
R
H
CG
TYR
A
302
L
-
ND2
ASN
V
183
R
H
CG
TYR
A
302
L
-
OD1
ASN
V
183
R
H
CG
TYR
A
302
L
-
HD22
ASN
V
183
R
H
CG
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CD1
TYR
A
302
L
-
CG
ASN
V
183
R
H
CD1
TYR
A
302
L
-
ND2
ASN
V
183
R
H
CD1
TYR
A
302
L
-
OD1
ASN
V
183
R
H
CD1
TYR
A
302
L
-
HD22
ASN
V
183
R
H
CD1
TYR
A
302
L
-
CD
ARG
V
184
R
H
CD1
TYR
A
302
L
-
H
ARG
V
184
R
H
CD1
TYR
A
302
L
-
HB2
ARG
V
184
R
H
CD1
TYR
A
302
L
-
HG2
ARG
V
184
R
H
CD1
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CD1
TYR
A
302
L
-
HH11
ARG
V
184
R
H
CD2
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CD2
TYR
A
302
L
-
HH11
ARG
V
184
R
H
CE1
TYR
A
302
L
-
CG
ASN
V
183
R
H
CE1
TYR
A
302
L
-
OD1
ASN
V
183
R
H
CE1
TYR
A
302
L
-
HD22
ASN
V
183
R
H
CE1
TYR
A
302
L
-
CB
ARG
V
184
R
H
CE1
TYR
A
302
L
-
CG
ARG
V
184
R
H
CE1
TYR
A
302
L
-
CD
ARG
V
184
R
H
CE1
TYR
A
302
L
-
H
ARG
V
184
R
H
CE1
TYR
A
302
L
-
HB2
ARG
V
184
R
H
CE1
TYR
A
302
L
-
HG2
ARG
V
184
R
H
CE1
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CE1
TYR
A
302
L
-
HD3
ARG
V
184
R
H
CE1
TYR
A
302
L
-
HH11
ARG
V
184
R
H
CE2
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CE2
TYR
A
302
L
-
HH11
ARG
V
184
R
H
OH
TYR
A
302
L
-
CD
ARG
V
184
R
H
OH
TYR
A
302
L
-
HB2
ARG
V
184
R
H
OH
TYR
A
302
L
-
HD2
ARG
V
184
R
H
OH
TYR
A
302
L
-
HD3
ARG
V
184
R
H
OH
TYR
A
302
L
-
HH11
ARG
V
184
R
H
OH
TYR
A
302
L
-
CD
LYS
V
185
R
H
OH
TYR
A
302
L
-
NZ
LYS
V
185
R
H
OH
TYR
A
302
L
-
HB3
LYS
V
185
R
H
OH
TYR
A
302
L
-
HD2
LYS
V
185
R
H
OH
TYR
A
302
L
-
HD3
LYS
V
185
R
H
OH
TYR
A
302
L
-
HZ2
LYS
V
185
R
H
OH
TYR
A
302
L
-
HZ3
LYS
V
185
R
H
CZ
TYR
A
302
L
-
CD
ARG
V
184
R
H
CZ
TYR
A
302
L
-
HB2
ARG
V
184
R
H
CZ
TYR
A
302
L
-
HD2
ARG
V
184
R
H
CZ
TYR
A
302
L
-
HD3
ARG
V
184
R
H
CZ
TYR
A
302
L
-
HH11
ARG
V
184
R
H
CZ
TYR
A
302
L
-
HD2
LYS
V
185
R
-
CB
PHE
A
303
L
-
HB3
SER
V
181
R
-
CB
PHE
A
303
L
-
HA
ASN
V
183
R
-
CG
PHE
A
303
L
-
HB3
SER
V
181
R
-
CG
PHE
A
303
L
-
HA
ASN
V
183
R
-
CD1
PHE
A
303
L
-
HB3
SER
V
181
R
-
CD1
PHE
A
303
L
-
HG
SER
V
181
R
-
CD2
PHE
A
303
L
-
HA
ASN
V
183
R
-
CD2
PHE
A
303
L
-
HG2
ARG
V
184
R
-
CE1
PHE
A
303
L
-
HB3
SER
V
181
R
-
CD
ARG
A
304
L
-
HH22
ARG
V
184
R
H
CD
GLU
A
307
L
-
HH22
ARG
V
184
R
H
OE2
GLU
A
307
L
-
NH2
ARG
V
184
R
H
OE2
GLU
A
307
L
-
HH21
ARG
V
184
R
H
OE2
GLU
A
307
L
-
HH22
ARG
V
184
R
-
CE2
TYR
A
308
L
-
HE
ARG
V
184
R
-
CE2
TYR
A
308
L
-
HH21
ARG
V
184
R
-
OH
TYR
A
308
L
-
CG
ARG
V
184
R
-
OH
TYR
A
308
L
-
NE
ARG
V
184
R
-
OH
TYR
A
308
L
-
HG3
ARG
V
184
R
-
OH
TYR
A
308
L
-
HE
ARG
V
184
R
-
OH
TYR
A
308
L
-
HH21
ARG
V
184
R
-
CZ
TYR
A
308
L
-
HG3
ARG
V
184
R
-
CZ
TYR
A
308
L
-
HE
ARG
V
184
R
-
CZ
TYR
A
308
L
-
HH21
ARG
V
184
R
-
CD1
LEU
A
310
L
-
NH1
ARG
V
163
R
-
CD1
LEU
A
310
L
-
HH12
ARG
V
163
R
-
CG2
ILE
A
312
L
-
O
ASP
V
161
R
-
CG2
ILE
A
312
L
-
HB2
ARG
V
163
R
-
CD1
ILE
A
312
L
-
NH1
ARG
V
163
R
-
CD1
ILE
A
312
L
-
HD2
ARG
V
163
R
-
CD1
ILE
A
312
L
-
HH11
ARG
V
163
R
-
CB
PRO
A
313
L
-
HG
SER
V
159
R
-
CG
PRO
A
313
L
-
OG
SER
V
159
R
-
CG
PRO
A
313
L
-
HB3
SER
V
159
R
-
CG
PRO
A
313
L
-
HG
SER
V
159
R
-
CD
PRO
A
313
L
-
HG
SER
V
159
R
-
CD
PRO
A
313
L
-
HB2
ASP
V
161
R
-
O
GLU
A
314
L
-
O
ASP
V
161
R
-
CG
GLU
A
314
L
-
HD22
ASN
V
158
R
-
CD
GLU
A
314
L
-
CB
ASN
V
158
R
-
CD
GLU
A
314
L
-
CG
ASN
V
158
R
-
CD
GLU
A
314
L
-
ND2
ASN
V
158
R
-
CD
GLU
A
314
L
-
OD1
ASN
V
158
R
-
CD
GLU
A
314
L
-
HA
ASN
V
158
R
-
CD
GLU
A
314
L
-
HB3
ASN
V
158
R
-
CD
GLU
A
314
L
-
HD21
ASN
V
158
R
-
CD
GLU
A
314
L
-
HD22
ASN
V
158
R
-
OE1
GLU
A
314
L
-
CB
ASN
V
158
R
-
OE1
GLU
A
314
L
-
CG
ASN
V
158
R
-
OE1
GLU
A
314
L
-
ND2
ASN
V
158
R
-
OE1
GLU
A
314
L
-
OD1
ASN
V
158
R
-
OE1
GLU
A
314
L
-
HA
ASN
V
158
R
-
OE1
GLU
A
314
L
-
HB3
ASN
V
158
R
-
OE1
GLU
A
314
L
-
HD21
ASN
V
158
R
-
OE1
GLU
A
314
L
-
HD22
ASN
V
158
R
-
OE2
GLU
A
314
L
-
CB
ASN
V
158
R
-
OE2
GLU
A
314
L
-
CG
ASN
V
158
R
-
OE2
GLU
A
314
L
-
ND2
ASN
V
158
R
-
OE2
GLU
A
314
L
-
OD1
ASN
V
158
R
-
OE2
GLU
A
314
L
-
HA
ASN
V
158
R
-
OE2
GLU
A
314
L
-
HB2
ASN
V
158
R
-
OE2
GLU
A
314
L
-
HB3
ASN
V
158
R
-
OE2
GLU
A
314
L
-
HD21
ASN
V
158
R
-
OE2
GLU
A
314
L
-
HD22
ASN
V
158
R
H
N
PRO
A
316
L
-
HB3
ARG
V
163
R
H
C
PRO
A
316
L
-
HD3
ARG
V
163
R
H
CB
PRO
A
316
L
-
O
ARG
V
163
R
H
CB
PRO
A
316
L
-
HB3
ARG
V
163
R
H
CB
PRO
A
316
L
-
O
GLN
V
165
R
H
CB
PRO
A
316
L
-
H
GLN
V
165
R
H
CG
PRO
A
316
L
-
O
ARG
V
163
R
H
CG
PRO
A
316
L
-
O
GLN
V
165
R
H
CG
PRO
A
316
L
-
H
GLN
V
165
R
H
CD
PRO
A
316
L
-
O
ARG
V
163
R
H
CD
PRO
A
316
L
-
HB3
ARG
V
163
R
H
N
ALA
A
317
L
-
CD
ARG
V
163
R
H
N
ALA
A
317
L
-
HB3
ARG
V
163
R
H
N
ALA
A
317
L
-
HD3
ARG
V
163
R
H
CA
ALA
A
317
L
-
CD
ARG
V
163
R
H
CA
ALA
A
317
L
-
HD2
ARG
V
163
R
H
CA
ALA
A
317
L
-
HD3
ARG
V
163
R
H
CA
ALA
A
317
L
-
HH11
ARG
V
163
R
H
C
ALA
A
317
L
-
HD3
ARG
V
163
R
H
CB
ALA
A
317
L
-
CB
ARG
V
163
R
H
CB
ALA
A
317
L
-
CG
ARG
V
163
R
H
CB
ALA
A
317
L
-
CD
ARG
V
163
R
H
CB
ALA
A
317
L
-
NE
ARG
V
163
R
H
CB
ALA
A
317
L
-
NH1
ARG
V
163
R
H
CB
ALA
A
317
L
-
CZ
ARG
V
163
R
H
CB
ALA
A
317
L
-
HB2
ARG
V
163
R
H
CB
ALA
A
317
L
-
HB3
ARG
V
163
R
H
CB
ALA
A
317
L
-
HD2
ARG
V
163
R
H
CB
ALA
A
317
L
-
HD3
ARG
V
163
R
H
CB
ALA
A
317
L
-
HH11
ARG
V
163
R
H
SD
MET
A
443
L
-
HB2
HIS
V
169
R
H
SD
MET
A
443
L
-
HD2
HIS
V
169
R
H
CE
MET
A
443
L
-
HB2
HIS
V
169
R
-
CA
LEU
A
446
L
-
O
GLY
V
166
R
-
CB
LEU
A
446
L
-
C
GLY
V
166
R
-
CB
LEU
A
446
L
-
O
GLY
V
166
R
-
CG
LEU
A
446
L
-
C
GLY
V
166
R
-
CG
LEU
A
446
L
-
O
GLY
V
166
R
-
CG
LEU
A
446
L
-
HA3
GLY
V
166
R
-
CD1
LEU
A
446
L
-
CA
GLY
V
166
R
-
CD1
LEU
A
446
L
-
C
GLY
V
166
R
-
CD1
LEU
A
446
L
-
O
GLY
V
166
R
-
CD1
LEU
A
446
L
-
HA2
GLY
V
166
R
-
CD1
LEU
A
446
L
-
HA3
GLY
V
166
R
-
CD2
LEU
A
446
L
-
O
GLN
V
165
R
-
CD2
LEU
A
446
L
-
O
GLY
V
166
R
-
CD2
LEU
A
446
L
-
HA3
GLY
V
166
R
-
CA
HIS
A
448
L
-
HA2
GLY
V
167
R
-
C
HIS
A
448
L
-
CA
GLY
V
167
R
-
C
HIS
A
448
L
-
HA2
GLY
V
167
R
-
CB
HIS
A
448
L
-
N
GLY
V
167
R
-
CB
HIS
A
448
L
-
H
GLY
V
167
R
-
O
HIS
A
448
L
-
CA
GLY
V
167
R
-
O
HIS
A
448
L
-
HA2
GLY
V
167
R
-
O
HIS
A
448
L
-
HB3
PRO
V
168
R
-
O
HIS
A
448
L
-
HG3
PRO
V
168
R
-
O
HIS
A
448
L
-
HD2
PRO
V
168
R
-
CD2
HIS
A
448
L
-
HA
SER
V
164
R
-
CD2
HIS
A
448
L
-
H
GLN
V
165
R
-
CD2
HIS
A
448
L
-
H
GLY
V
166
R
-
NE2
HIS
A
448
L
-
HA
SER
V
164
R
-
NE2
HIS
A
448
L
-
H
GLN
V
165
R
-
N
HIS
A
449
L
-
CA
GLY
V
167
R
-
N
HIS
A
449
L
-
HA2
GLY
V
167
R
-
N
HIS
A
449
L
-
HB3
PRO
V
168
R
-
CA
HIS
A
449
L
-
CA
GLY
V
167
R
-
CA
HIS
A
449
L
-
HA2
GLY
V
167
R
-
CA
HIS
A
449
L
-
HA3
GLY
V
167
R
-
CA
HIS
A
449
L
-
CB
PRO
V
168
R
-
CA
HIS
A
449
L
-
HA
PRO
V
168
R
-
CA
HIS
A
449
L
-
HB3
PRO
V
168
R
-
CA
HIS
A
449
L
-
HG3
PRO
V
168
R
-
C
HIS
A
449
L
-
HA2
GLY
V
167
R
-
C
HIS
A
449
L
-
CB
PRO
V
168
R
-
C
HIS
A
449
L
-
CG
PRO
V
168
R
-
C
HIS
A
449
L
-
HB2
PRO
V
168
R
-
C
HIS
A
449
L
-
HB3
PRO
V
168
R
-
C
HIS
A
449
L
-
HG3
PRO
V
168
R
-
CB
HIS
A
449
L
-
HA2
GLY
V
167
R
-
CB
HIS
A
449
L
-
HB3
PRO
V
168
R
-
O
HIS
A
449
L
-
CA
PRO
V
168
R
-
O
HIS
A
449
L
-
CB
PRO
V
168
R
-
O
HIS
A
449
L
-
CG
PRO
V
168
R
-
O
HIS
A
449
L
-
HB2
PRO
V
168
R
-
O
HIS
A
449
L
-
HB3
PRO
V
168
R
-
O
HIS
A
449
L
-
HG2
PRO
V
168
R
-
O
HIS
A
449
L
-
HG3
PRO
V
168
R
-
CG
HIS
A
449
L
-
CB
PRO
V
168
R
-
CG
HIS
A
449
L
-
HA
PRO
V
168
R
-
CG
HIS
A
449
L
-
HB2
PRO
V
168
R
-
CG
HIS
A
449
L
-
HB3
PRO
V
168
R
-
CD2
HIS
A
449
L
-
CA
PRO
V
168
R
-
CD2
HIS
A
449
L
-
CB
PRO
V
168
R
-
CD2
HIS
A
449
L
-
HA
PRO
V
168
R
-
CD2
HIS
A
449
L
-
HB2
PRO
V
168
R
-
CD2
HIS
A
449
L
-
HB3
PRO
V
168
R
-
CD2
HIS
A
449
L
-
H
HIS
V
169
R
-
ND1
HIS
A
449
L
-
HB2
PRO
V
168
R
-
ND1
HIS
A
449
L
-
HB3
PRO
V
168
R
-
CE1
HIS
A
449
L
-
HB2
PRO
V
168
R
-
CE1
HIS
A
449
L
-
HB3
PRO
V
168
R
-
NE2
HIS
A
449
L
-
CB
PRO
V
168
R
-
NE2
HIS
A
449
L
-
HB2
PRO
V
168
R
-
NE2
HIS
A
449
L
-
HB3
PRO
V
168
R
-
NE2
HIS
A
449
L
-
H
HIS
V
169
R
-
N
HIS
A
450
L
-
HB3
PRO
V
168
R
-
N
VAL
A
451
L
-
HG3
PRO
V
168
R
-
C
VAL
A
451
L
-
HG3
PRO
V
168
R
-
O
VAL
A
451
L
-
CG
PRO
V
168
R
-
O
VAL
A
451
L
-
CD
PRO
V
168
R
-
O
VAL
A
451
L
-
HG2
PRO
V
168
R
-
O
VAL
A
451
L
-
HG3
PRO
V
168
R
-
O
VAL
A
451
L
-
HD2
PRO
V
168
R
H
CG
PHE
A
456
L
-
O
GLY
V
167
R
H
CD1
PHE
A
456
L
-
O
GLY
V
167
R
H
CD2
PHE
A
456
L
-
H
GLY
V
166
R
H
CD2
PHE
A
456
L
-
H
GLY
V
167
R
H
CE1
PHE
A
456
L
-
H
GLY
V
166
R
H
CE1
PHE
A
456
L
-
O
GLY
V
167
R
H
CE1
PHE
A
456
L
-
H
GLY
V
167
R
H
CE2
PHE
A
456
L
-
HA
GLN
V
165
R
H
CE2
PHE
A
456
L
-
N
GLY
V
166
R
H
CE2
PHE
A
456
L
-
H
GLY
V
166
R
H
CE2
PHE
A
456
L
-
H
GLY
V
167
R
H
CZ
PHE
A
456
L
-
HA
GLN
V
165
R
H
CZ
PHE
A
456
L
-
HG3
GLN
V
165
R
H
CZ
PHE
A
456
L
-
N
GLY
V
166
R
H
CZ
PHE
A
456
L
-
H
GLY
V
166
R
H
CZ
PHE
A
456
L
-
H
GLY
V
167
R
H
CD2
LEU
A
459
L
-
HB3
SER
V
164
R
H
CD2
LEU
A
459
L
-
HG
SER
V
164
R
H
CG1
VAL
A
460
L
-
HE21
GLN
V
165
R
H
CG2
VAL
A
460
L
-
HG3
GLN
V
165
R
H
CB
ALA
A
463
L
-
HG
SER
V
164
R
H
CG2
THR
A
467
L
-
HH21
ARG
V
162
R
H
OE1
GLN
A
470
L
-
HH21
ARG
V
162