A0PJE2_Q8NEX9.1
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
ASN
A
118
L
H
GLU
V
111
R
H
ASN
A
118
L
H
LYS
V
114
R
H
ASN
A
118
L
H
GLN
V
115
R
H
GLU
A
119
L
H
LYS
V
114
R
H
GLU
A
119
L
H
GLN
V
115
R
H
GLU
A
119
L
H
LYS
V
164
R
-
LEU
A
121
L
H
GLN
V
115
R
-
THR
A
122
L
H
GLN
V
115
R
H
LYS
A
123
L
H
GLN
V
115
R
H
PHE
A
126
L
H
GLU
V
111
R
H
PHE
A
126
L
H
GLN
V
115
R
-
ALA
A
166
L
-
LYS
V
317
R
H
VAL
A
174
L
H
GLU
V
111
R
H
VAL
A
174
L
-
LYS
V
317
R
H
PHE
A
177
L
H
GLN
V
314
R
H
PHE
A
177
L
-
LYS
V
317
R
H
GLY
A
178
L
-
LYS
V
317
R
H
ALA
A
181
L
H
THR
V
315
R
H
GLU
A
229
L
-
LYS
V
118
R
H
TYR
A
234
L
H
LYS
V
164
R
H
LYS
A
292
L
H
GLU
V
307
R
-
LEU
A
293
L
H
GLU
V
310
R
-
PRO
A
294
L
H
ARG
V
214
R
-
PRO
A
294
L
H
GLU
V
303
R
-
PRO
A
294
L
H
ILE
V
306
R
H
THR
A
295
L
H
TYR
V
152
R
H
THR
A
295
L
H
THR
V
156
R
H
THR
A
295
L
H
ILE
V
306
R
H
THR
A
295
L
H
GLU
V
310
R
H
PRO
A
296
L
H
ARG
V
214
R
H
PRO
A
296
L
H
GLY
V
218
R
H
PRO
A
296
L
H
ILE
V
306
R
H
ASP
A
299
L
H
THR
V
156
R
H
ASP
A
299
L
H
ILE
V
159
R
H
ASP
A
299
L
-
HIS
V
219
R
-
PRO
A
309
L
H
LYS
V
164
R
-
ASP
A
311
L
H
LYS
V
164
R
-
VAL
A
313
L
H
GLU
V
163
R
-
VAL
A
313
L
-
GLU
V
165
R
-
VAL
A
313
L
-
HIS
V
166
R
-
VAL
A
313
L
-
ASP
V
167
R
-
VAL
A
313
L
-
PRO
V
168
A0PJE2_Q8NEX9.1
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
CA
ASN
A
118
L
H
HG2
GLN
V
115
R
H
C
ASN
A
118
L
H
CG
GLN
V
115
R
H
C
ASN
A
118
L
H
HA
GLN
V
115
R
H
C
ASN
A
118
L
H
HG2
GLN
V
115
R
H
C
ASN
A
118
L
H
HG3
GLN
V
115
R
H
CB
ASN
A
118
L
H
HB3
LYS
V
114
R
H
CB
ASN
A
118
L
H
HG2
GLN
V
115
R
H
CB
ASN
A
118
L
H
HG3
GLN
V
115
R
H
O
ASN
A
118
L
H
CB
GLN
V
115
R
H
O
ASN
A
118
L
H
CG
GLN
V
115
R
H
O
ASN
A
118
L
H
CD
GLN
V
115
R
H
O
ASN
A
118
L
H
HA
GLN
V
115
R
H
O
ASN
A
118
L
H
HB3
GLN
V
115
R
H
O
ASN
A
118
L
H
HG2
GLN
V
115
R
H
O
ASN
A
118
L
H
HG3
GLN
V
115
R
H
ND2
ASN
A
118
L
H
OE2
GLU
V
111
R
H
ND2
ASN
A
118
L
H
HD3
LYS
V
114
R
H
N
GLU
A
119
L
H
HA
GLN
V
115
R
H
N
GLU
A
119
L
H
HG2
GLN
V
115
R
H
CA
GLU
A
119
L
H
CA
GLN
V
115
R
H
CA
GLU
A
119
L
H
O
GLN
V
115
R
H
CA
GLU
A
119
L
H
HA
GLN
V
115
R
H
CA
GLU
A
119
L
H
HG2
GLN
V
115
R
H
C
GLU
A
119
L
H
HA
GLN
V
115
R
H
CB
GLU
A
119
L
H
O
LYS
V
114
R
H
CB
GLU
A
119
L
H
HA
GLN
V
115
R
H
CB
GLU
A
119
L
H
HZ2
LYS
V
164
R
H
CG
GLU
A
119
L
H
O
GLN
V
115
R
H
CG
GLU
A
119
L
H
HA
GLN
V
115
R
H
OE2
GLU
A
119
L
H
NZ
LYS
V
164
R
H
OE2
GLU
A
119
L
H
HD3
LYS
V
164
R
H
OE2
GLU
A
119
L
H
HZ2
LYS
V
164
R
H
OE2
GLU
A
119
L
H
HZ3
LYS
V
164
R
-
C
LEU
A
121
L
H
OE1
GLN
V
115
R
-
O
LEU
A
121
L
H
CB
GLN
V
115
R
-
O
LEU
A
121
L
H
CG
GLN
V
115
R
-
O
LEU
A
121
L
H
CD
GLN
V
115
R
-
O
LEU
A
121
L
H
OE1
GLN
V
115
R
-
O
LEU
A
121
L
H
HB3
GLN
V
115
R
-
O
LEU
A
121
L
H
HG2
GLN
V
115
R
-
C
THR
A
122
L
H
OE1
GLN
V
115
R
-
O
THR
A
122
L
H
OE1
GLN
V
115
R
H
N
LYS
A
123
L
H
OE1
GLN
V
115
R
H
CB
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CG
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CG
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CG
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CD1
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CD1
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CD1
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CD2
PHE
A
126
L
H
CD
GLN
V
115
R
H
CD2
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CD2
PHE
A
126
L
H
OE1
GLN
V
115
R
H
CD2
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CD2
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CE1
PHE
A
126
L
H
HB2
GLU
V
111
R
H
CE1
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CE1
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CE1
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CE2
PHE
A
126
L
H
CG
GLN
V
115
R
H
CE2
PHE
A
126
L
H
CD
GLN
V
115
R
H
CE2
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CE2
PHE
A
126
L
H
OE1
GLN
V
115
R
H
CE2
PHE
A
126
L
H
HG2
GLN
V
115
R
H
CE2
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CE2
PHE
A
126
L
H
HE22
GLN
V
115
R
H
CZ
PHE
A
126
L
H
CG
GLN
V
115
R
H
CZ
PHE
A
126
L
H
CD
GLN
V
115
R
H
CZ
PHE
A
126
L
H
NE2
GLN
V
115
R
H
CZ
PHE
A
126
L
H
OE1
GLN
V
115
R
H
CZ
PHE
A
126
L
H
HG2
GLN
V
115
R
H
CZ
PHE
A
126
L
H
HG3
GLN
V
115
R
H
CZ
PHE
A
126
L
H
HE21
GLN
V
115
R
H
CZ
PHE
A
126
L
H
HE22
GLN
V
115
R
-
CB
ALA
A
166
L
-
NZ
LYS
V
317
R
-
CB
ALA
A
166
L
-
HZ1
LYS
V
317
R
-
CB
ALA
A
166
L
-
HZ2
LYS
V
317
R
H
CA
VAL
A
174
L
-
HE2
LYS
V
317
R
H
CG2
VAL
A
174
L
H
HG2
GLU
V
111
R
H
CG2
VAL
A
174
L
-
HE2
LYS
V
317
R
H
C
PHE
A
177
L
-
OXT
LYS
V
317
R
H
CB
PHE
A
177
L
-
OXT
LYS
V
317
R
H
CB
PHE
A
177
L
-
HB3
LYS
V
317
R
H
CB
PHE
A
177
L
-
HG2
LYS
V
317
R
H
CB
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CG
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CG
PHE
A
177
L
-
HB3
LYS
V
317
R
H
CG
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CD1
PHE
A
177
L
H
CB
GLN
V
314
R
H
CD1
PHE
A
177
L
H
O
GLN
V
314
R
H
CD1
PHE
A
177
L
H
CD
GLN
V
314
R
H
CD1
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CD1
PHE
A
177
L
H
HA
GLN
V
314
R
H
CD1
PHE
A
177
L
H
HB3
GLN
V
314
R
H
CD1
PHE
A
177
L
-
HB3
LYS
V
317
R
H
CD1
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CD2
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CD2
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CE1
PHE
A
177
L
H
CB
GLN
V
314
R
H
CE1
PHE
A
177
L
H
CG
GLN
V
314
R
H
CE1
PHE
A
177
L
H
CD
GLN
V
314
R
H
CE1
PHE
A
177
L
H
NE2
GLN
V
314
R
H
CE1
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CE1
PHE
A
177
L
H
HA
GLN
V
314
R
H
CE1
PHE
A
177
L
H
HB3
GLN
V
314
R
H
CE1
PHE
A
177
L
H
HG3
GLN
V
314
R
H
CE1
PHE
A
177
L
H
HE22
GLN
V
314
R
H
CE1
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CE2
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CE2
PHE
A
177
L
-
HD3
LYS
V
317
R
H
CE2
PHE
A
177
L
-
HZ2
LYS
V
317
R
H
CZ
PHE
A
177
L
H
CD
GLN
V
314
R
H
CZ
PHE
A
177
L
H
NE2
GLN
V
314
R
H
CZ
PHE
A
177
L
H
OE1
GLN
V
314
R
H
CZ
PHE
A
177
L
H
HE22
GLN
V
314
R
H
CZ
PHE
A
177
L
-
HD3
LYS
V
317
R
H
N
GLY
A
178
L
-
OXT
LYS
V
317
R
H
CA
GLY
A
178
L
-
OXT
LYS
V
317
R
H
CB
ALA
A
181
L
H
O
THR
V
315
R
H
CB
ALA
A
181
L
H
HA
THR
V
315
R
H
CG
GLU
A
229
L
-
HE3
LYS
V
118
R
H
CG
GLU
A
229
L
-
HZ1
LYS
V
118
R
H
CD
GLU
A
229
L
-
HE3
LYS
V
118
R
H
OE1
GLU
A
229
L
-
CE
LYS
V
118
R
H
OE1
GLU
A
229
L
-
NZ
LYS
V
118
R
H
OE1
GLU
A
229
L
-
HD2
LYS
V
118
R
H
OE1
GLU
A
229
L
-
HE3
LYS
V
118
R
H
OE1
GLU
A
229
L
-
HZ1
LYS
V
118
R
H
OE1
GLU
A
229
L
-
HZ2
LYS
V
118
R
H
CE1
TYR
A
234
L
H
HE2
LYS
V
164
R
H
CE1
TYR
A
234
L
H
HZ2
LYS
V
164
R
H
CE2
TYR
A
234
L
H
HZ2
LYS
V
164
R
H
OH
TYR
A
234
L
H
CE
LYS
V
164
R
H
OH
TYR
A
234
L
H
NZ
LYS
V
164
R
H
OH
TYR
A
234
L
H
HE2
LYS
V
164
R
H
OH
TYR
A
234
L
H
HZ1
LYS
V
164
R
H
OH
TYR
A
234
L
H
HZ2
LYS
V
164
R
H
OH
TYR
A
234
L
H
HZ3
LYS
V
164
R
H
CZ
TYR
A
234
L
H
NZ
LYS
V
164
R
H
CZ
TYR
A
234
L
H
HE2
LYS
V
164
R
H
CZ
TYR
A
234
L
H
HZ1
LYS
V
164
R
H
CZ
TYR
A
234
L
H
HZ2
LYS
V
164
R
H
O
LYS
A
292
L
H
HG2
GLU
V
307
R
-
O
LEU
A
293
L
H
OE2
GLU
V
310
R
-
CA
PRO
A
294
L
H
HG21
ILE
V
306
R
-
CA
PRO
A
294
L
H
HG22
ILE
V
306
R
-
C
PRO
A
294
L
H
HG22
ILE
V
306
R
-
CB
PRO
A
294
L
H
HH21
ARG
V
214
R
-
CB
PRO
A
294
L
H
HG3
GLU
V
303
R
-
CB
PRO
A
294
L
H
HG22
ILE
V
306
R
-
CG
PRO
A
294
L
H
CG
GLU
V
303
R
-
CG
PRO
A
294
L
H
CD
GLU
V
303
R
-
CG
PRO
A
294
L
H
OE1
GLU
V
303
R
-
CG
PRO
A
294
L
H
HG3
GLU
V
303
R
-
CD
PRO
A
294
L
H
OE1
GLU
V
303
R
H
N
THR
A
295
L
H
CG2
ILE
V
306
R
H
N
THR
A
295
L
H
HG21
ILE
V
306
R
H
N
THR
A
295
L
H
HG22
ILE
V
306
R
H
CB
THR
A
295
L
H
OH
TYR
V
152
R
H
CB
THR
A
295
L
H
HH
TYR
V
152
R
H
CG2
THR
A
295
L
H
CG2
THR
V
156
R
H
CG2
THR
A
295
L
H
HG21
THR
V
156
R
H
CG2
THR
A
295
L
H
HG22
THR
V
156
R
H
OG1
THR
A
295
L
H
OH
TYR
V
152
R
H
OG1
THR
A
295
L
H
HH
TYR
V
152
R
H
OG1
THR
A
295
L
H
CG2
ILE
V
306
R
H
OG1
THR
A
295
L
H
HG21
ILE
V
306
R
H
OG1
THR
A
295
L
H
HG22
ILE
V
306
R
H
OG1
THR
A
295
L
H
HG23
ILE
V
306
R
H
OG1
THR
A
295
L
H
CD
GLU
V
310
R
H
OG1
THR
A
295
L
H
OE1
GLU
V
310
R
H
OG1
THR
A
295
L
H
OE2
GLU
V
310
R
H
OG1
THR
A
295
L
H
HB2
GLU
V
310
R
H
CA
PRO
A
296
L
H
HA3
GLY
V
218
R
H
C
PRO
A
296
L
H
HA3
GLY
V
218
R
H
CB
PRO
A
296
L
H
N
GLY
V
218
R
H
CB
PRO
A
296
L
H
CA
GLY
V
218
R
H
CB
PRO
A
296
L
H
H
GLY
V
218
R
H
CB
PRO
A
296
L
H
HA2
GLY
V
218
R
H
CB
PRO
A
296
L
H
HA3
GLY
V
218
R
H
O
PRO
A
296
L
H
HA2
GLY
V
218
R
H
O
PRO
A
296
L
H
HA3
GLY
V
218
R
H
CG
PRO
A
296
L
H
O
ARG
V
214
R
H
CG
PRO
A
296
L
H
HB3
ARG
V
214
R
H
CG
PRO
A
296
L
H
HA3
GLY
V
218
R
H
CD
PRO
A
296
L
H
HG22
ILE
V
306
R
H
CD
PRO
A
296
L
H
HD12
ILE
V
306
R
H
CA
ASP
A
299
L
-
HE1
HIS
V
219
R
H
CB
ASP
A
299
L
-
CE1
HIS
V
219
R
H
CB
ASP
A
299
L
-
NE2
HIS
V
219
R
H
CB
ASP
A
299
L
-
HE1
HIS
V
219
R
H
CG
ASP
A
299
L
-
CE1
HIS
V
219
R
H
CG
ASP
A
299
L
-
NE2
HIS
V
219
R
H
CG
ASP
A
299
L
-
HE1
HIS
V
219
R
H
OD1
ASP
A
299
L
-
HE1
HIS
V
219
R
H
OD2
ASP
A
299
L
H
HG22
THR
V
156
R
H
OD2
ASP
A
299
L
H
HG23
ILE
V
159
R
H
OD2
ASP
A
299
L
-
CE1
HIS
V
219
R
H
OD2
ASP
A
299
L
-
NE2
HIS
V
219
R
H
OD2
ASP
A
299
L
-
HE1
HIS
V
219
R
-
CG
PRO
A
309
L
H
HG2
LYS
V
164
R
-
O
ASP
A
311
L
H
O
LYS
V
164
R
-
CG1
VAL
A
313
L
-
HA
HIS
V
166
R
-
CG1
VAL
A
313
L
-
HD2
HIS
V
166
R
-
CG1
VAL
A
313
L
-
H
ASP
V
167
R
-
CG2
VAL
A
313
L
H
O
GLU
V
163
R
-
CG2
VAL
A
313
L
-
C
GLU
V
165
R
-
CG2
VAL
A
313
L
-
O
GLU
V
165
R
-
CG2
VAL
A
313
L
-
HA
HIS
V
166
R
-
CG2
VAL
A
313
L
-
HD3
PRO
V
168