A0PJE2_Q7Z4W1.13
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
PRO
A
160
L
H
GLU
V
98
R
H
GLU
A
163
L
-
LEU
V
88
R
H
GLU
A
163
L
-
GLN
V
90
R
H
GLU
A
163
L
-
THR
V
96
R
H
GLU
A
163
L
H
ALA
V
99
R
H
LYS
A
164
L
H
ARG
V
102
R
H
LYS
A
164
L
-
LEU
V
88
R
H
LYS
A
164
L
H
GLU
V
98
R
-
GLU
A
165
L
-
LEU
V
88
R
-
HIS
A
166
L
-
LYS
V
17
R
-
HIS
A
166
L
-
ARG
V
39
R
H
GLY
A
218
L
-
GLN
V
90
R
H
GLY
A
218
L
-
PRO
V
91
R
H
GLY
A
218
L
H
GLU
V
94
R
-
HIS
A
219
L
-
LEU
V
89
R
-
HIS
A
219
L
-
GLN
V
90
R
-
PRO
A
220
L
-
ASN
V
145
R
-
PRO
A
220
L
-
LEU
V
89
R
-
PRO
A
220
L
-
GLN
V
90
R
-
PRO
A
220
L
-
PRO
V
91
R
-
ALA
A
221
L
-
ALA
V
87
R
-
ALA
A
221
L
-
LEU
V
88
R
-
ALA
A
221
L
-
LEU
V
89
R
H
ALA
A
272
L
H
ALA
V
189
R
-
ALA
A
273
L
H
GLN
V
188
R
-
ALA
A
273
L
-
SER
V
192
R
-
GLN
A
274
L
-
SER
V
192
R
-
PRO
A
275
L
-
SER
V
192
R
-
PRO
A
275
L
-
ASP
V
193
R
-
PRO
A
275
L
H
PRO
V
194
R
-
GLN
A
37
L
H
ALA
V
42
R
-
PRO
A
39
L
-
THR
V
40
R
-
PRO
A
39
L
H
ALA
V
42
A0PJE2_Q7Z4W1.13
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
-
O
GLN
A
37
L
H
HB1
ALA
V
42
R
-
CB
PRO
A
39
L
H
HB3
ALA
V
42
R
-
O
PRO
A
39
L
-
HG22
THR
V
40
R
-
CG
PRO
A
39
L
H
CB
ALA
V
42
R
-
CG
PRO
A
39
L
H
H
ALA
V
42
R
-
CG
PRO
A
39
L
H
HB2
ALA
V
42
R
-
CG
PRO
A
39
L
H
HB3
ALA
V
42
R
-
CD
PRO
A
39
L
H
CB
ALA
V
42
R
-
CD
PRO
A
39
L
H
HB1
ALA
V
42
R
-
CD
PRO
A
39
L
H
HB2
ALA
V
42
R
-
CD
PRO
A
39
L
H
HB3
ALA
V
42
R
H
C
PRO
A
160
L
H
HG2
GLU
V
98
R
H
CB
PRO
A
160
L
H
OE2
GLU
V
98
R
H
CB
PRO
A
160
L
H
HG2
GLU
V
98
R
H
O
PRO
A
160
L
H
CB
GLU
V
98
R
H
O
PRO
A
160
L
H
CG
GLU
V
98
R
H
O
PRO
A
160
L
H
HB2
GLU
V
98
R
H
O
PRO
A
160
L
H
HB3
GLU
V
98
R
H
O
PRO
A
160
L
H
HG2
GLU
V
98
R
H
CA
GLU
A
163
L
-
CD2
LEU
V
88
R
H
CA
GLU
A
163
L
-
HD13
LEU
V
88
R
H
CA
GLU
A
163
L
-
HD22
LEU
V
88
R
H
C
GLU
A
163
L
-
CG
LEU
V
88
R
H
C
GLU
A
163
L
-
CD1
LEU
V
88
R
H
C
GLU
A
163
L
-
CD2
LEU
V
88
R
H
C
GLU
A
163
L
-
HD12
LEU
V
88
R
H
C
GLU
A
163
L
-
HD13
LEU
V
88
R
H
C
GLU
A
163
L
-
HD22
LEU
V
88
R
H
C
GLU
A
163
L
-
HD23
LEU
V
88
R
H
CB
GLU
A
163
L
-
HB3
LEU
V
88
R
H
CB
GLU
A
163
L
-
HD13
LEU
V
88
R
H
CB
GLU
A
163
L
-
HD22
LEU
V
88
R
H
CB
GLU
A
163
L
H
HB3
ALA
V
99
R
H
O
GLU
A
163
L
-
CB
LEU
V
88
R
H
O
GLU
A
163
L
-
CG
LEU
V
88
R
H
O
GLU
A
163
L
-
CD1
LEU
V
88
R
H
O
GLU
A
163
L
-
CD2
LEU
V
88
R
H
O
GLU
A
163
L
-
HB3
LEU
V
88
R
H
O
GLU
A
163
L
-
HG
LEU
V
88
R
H
O
GLU
A
163
L
-
HD11
LEU
V
88
R
H
O
GLU
A
163
L
-
HD12
LEU
V
88
R
H
O
GLU
A
163
L
-
HD13
LEU
V
88
R
H
O
GLU
A
163
L
-
HD21
LEU
V
88
R
H
O
GLU
A
163
L
-
HD22
LEU
V
88
R
H
O
GLU
A
163
L
-
HD23
LEU
V
88
R
H
O
GLU
A
163
L
H
HA
ALA
V
99
R
H
CD
GLU
A
163
L
-
CD
GLN
V
90
R
H
CD
GLU
A
163
L
-
NE2
GLN
V
90
R
H
CD
GLU
A
163
L
-
HG2
GLN
V
90
R
H
CD
GLU
A
163
L
-
HE21
GLN
V
90
R
H
CD
GLU
A
163
L
-
HE22
GLN
V
90
R
H
CD
GLU
A
163
L
H
HB3
ALA
V
99
R
H
OE1
GLU
A
163
L
-
CG
GLN
V
90
R
H
OE1
GLU
A
163
L
-
CD
GLN
V
90
R
H
OE1
GLU
A
163
L
-
NE2
GLN
V
90
R
H
OE1
GLU
A
163
L
-
HG2
GLN
V
90
R
H
OE1
GLU
A
163
L
-
HG3
GLN
V
90
R
H
OE1
GLU
A
163
L
-
HE21
GLN
V
90
R
H
OE1
GLU
A
163
L
-
HE22
GLN
V
90
R
H
OE2
GLU
A
163
L
-
CD
GLN
V
90
R
H
OE2
GLU
A
163
L
-
NE2
GLN
V
90
R
H
OE2
GLU
A
163
L
-
OE1
GLN
V
90
R
H
OE2
GLU
A
163
L
-
HE21
GLN
V
90
R
H
OE2
GLU
A
163
L
-
HE22
GLN
V
90
R
H
OE2
GLU
A
163
L
-
OG1
THR
V
96
R
H
OE2
GLU
A
163
L
-
HG1
THR
V
96
R
H
OE2
GLU
A
163
L
-
HG21
THR
V
96
R
H
OE2
GLU
A
163
L
-
HG23
THR
V
96
R
H
OE2
GLU
A
163
L
H
CB
ALA
V
99
R
H
OE2
GLU
A
163
L
H
HB3
ALA
V
99
R
H
N
LYS
A
164
L
-
HD12
LEU
V
88
R
H
N
LYS
A
164
L
-
HD13
LEU
V
88
R
H
N
LYS
A
164
L
-
HD22
LEU
V
88
R
H
N
LYS
A
164
L
-
HD23
LEU
V
88
R
H
CA
LYS
A
164
L
-
CD1
LEU
V
88
R
H
CA
LYS
A
164
L
-
HD12
LEU
V
88
R
H
CA
LYS
A
164
L
-
HD13
LEU
V
88
R
H
CA
LYS
A
164
L
H
CG
ARG
V
102
R
H
CA
LYS
A
164
L
H
HG2
ARG
V
102
R
H
C
LYS
A
164
L
-
HD12
LEU
V
88
R
H
C
LYS
A
164
L
-
HD23
LEU
V
88
R
H
C
LYS
A
164
L
H
HG2
ARG
V
102
R
H
C
LYS
A
164
L
H
HE
ARG
V
102
R
H
CB
LYS
A
164
L
H
HG2
ARG
V
102
R
H
O
LYS
A
164
L
-
HD12
LEU
V
88
R
H
O
LYS
A
164
L
H
CG
ARG
V
102
R
H
O
LYS
A
164
L
H
CD
ARG
V
102
R
H
O
LYS
A
164
L
H
NE
ARG
V
102
R
H
O
LYS
A
164
L
H
HG2
ARG
V
102
R
H
O
LYS
A
164
L
H
HG3
ARG
V
102
R
H
O
LYS
A
164
L
H
HD3
ARG
V
102
R
H
O
LYS
A
164
L
H
HE
ARG
V
102
R
H
O
LYS
A
164
L
H
HH21
ARG
V
102
R
H
CG
LYS
A
164
L
H
CB
GLU
V
98
R
H
CG
LYS
A
164
L
H
HB3
GLU
V
98
R
H
CG
LYS
A
164
L
H
HB3
ARG
V
102
R
H
CG
LYS
A
164
L
H
HG2
ARG
V
102
R
H
CD
LYS
A
164
L
H
CB
GLU
V
98
R
H
CD
LYS
A
164
L
H
HB3
GLU
V
98
R
H
CE
LYS
A
164
L
H
CA
GLU
V
98
R
H
CE
LYS
A
164
L
H
CB
GLU
V
98
R
H
CE
LYS
A
164
L
H
CG
GLU
V
98
R
H
CE
LYS
A
164
L
H
HA
GLU
V
98
R
H
CE
LYS
A
164
L
H
HB2
GLU
V
98
R
H
CE
LYS
A
164
L
H
HB3
GLU
V
98
R
H
CE
LYS
A
164
L
H
HG2
GLU
V
98
R
H
CE
LYS
A
164
L
H
HG3
GLU
V
98
R
H
NZ
LYS
A
164
L
H
CB
GLU
V
98
R
H
NZ
LYS
A
164
L
H
CG
GLU
V
98
R
H
NZ
LYS
A
164
L
H
HB3
GLU
V
98
R
H
NZ
LYS
A
164
L
H
HG2
GLU
V
98
R
H
NZ
LYS
A
164
L
H
HG3
GLU
V
98
R
-
N
GLU
A
165
L
-
HD23
LEU
V
88
R
-
O
GLU
A
165
L
-
HD23
LEU
V
88
R
-
N
HIS
A
166
L
-
NH1
ARG
V
39
R
-
N
HIS
A
166
L
-
HH11
ARG
V
39
R
-
N
HIS
A
166
L
-
HH12
ARG
V
39
R
-
CA
HIS
A
166
L
-
HH11
ARG
V
39
R
-
CB
HIS
A
166
L
-
NH1
ARG
V
39
R
-
CB
HIS
A
166
L
-
HD2
ARG
V
39
R
-
CB
HIS
A
166
L
-
HH11
ARG
V
39
R
-
CB
HIS
A
166
L
-
HH12
ARG
V
39
R
-
ND1
HIS
A
166
L
-
HZ3
LYS
V
17
R
-
CE1
HIS
A
166
L
-
HD2
LYS
V
17
R
-
CE1
HIS
A
166
L
-
HZ3
LYS
V
17
R
-
NE2
HIS
A
166
L
-
HD2
LYS
V
17
R
H
CA
GLY
A
218
L
-
HG2
PRO
V
91
R
H
CA
GLY
A
218
L
H
OE2
GLU
V
94
R
H
C
GLY
A
218
L
-
HD2
PRO
V
91
R
H
C
GLY
A
218
L
-
HD3
PRO
V
91
R
H
C
GLY
A
218
L
H
OE2
GLU
V
94
R
H
O
GLY
A
218
L
-
HA
GLN
V
90
R
H
O
GLY
A
218
L
-
CG
PRO
V
91
R
H
O
GLY
A
218
L
-
CD
PRO
V
91
R
H
O
GLY
A
218
L
-
HG2
PRO
V
91
R
H
O
GLY
A
218
L
-
HD2
PRO
V
91
R
H
O
GLY
A
218
L
-
HD3
PRO
V
91
R
H
O
GLY
A
218
L
H
OE2
GLU
V
94
R
-
C
HIS
A
219
L
-
O
LEU
V
89
R
-
ND1
HIS
A
219
L
-
HE21
GLN
V
90
R
-
CE1
HIS
A
219
L
-
HE21
GLN
V
90
R
-
N
PRO
A
220
L
-
O
LEU
V
89
R
-
CA
PRO
A
220
L
-
O
LEU
V
89
R
-
CA
PRO
A
220
L
-
HB2
LEU
V
89
R
-
C
PRO
A
220
L
-
O
LEU
V
89
R
-
C
PRO
A
220
L
-
H
LEU
V
89
R
-
C
PRO
A
220
L
-
HB2
LEU
V
89
R
-
CB
PRO
A
220
L
-
CB
LEU
V
89
R
-
CB
PRO
A
220
L
-
O
LEU
V
89
R
-
CB
PRO
A
220
L
-
HB2
LEU
V
89
R
-
CB
PRO
A
220
L
-
HB3
LEU
V
89
R
-
CB
PRO
A
220
L
-
HD21
ASN
V
145
R
-
O
PRO
A
220
L
-
HB2
LEU
V
89
R
-
O
PRO
A
220
L
-
HD13
LEU
V
89
R
-
CG
PRO
A
220
L
-
CA
LEU
V
89
R
-
CG
PRO
A
220
L
-
C
LEU
V
89
R
-
CG
PRO
A
220
L
-
CB
LEU
V
89
R
-
CG
PRO
A
220
L
-
O
LEU
V
89
R
-
CG
PRO
A
220
L
-
HB2
LEU
V
89
R
-
CG
PRO
A
220
L
-
HB3
LEU
V
89
R
-
CG
PRO
A
220
L
-
N
GLN
V
90
R
-
CG
PRO
A
220
L
-
HA
GLN
V
90
R
-
CG
PRO
A
220
L
-
HD2
PRO
V
91
R
-
CG
PRO
A
220
L
-
HB3
ASN
V
145
R
-
CG
PRO
A
220
L
-
HD21
ASN
V
145
R
-
CD
PRO
A
220
L
-
C
LEU
V
89
R
-
CD
PRO
A
220
L
-
O
LEU
V
89
R
-
CD
PRO
A
220
L
-
HB2
LEU
V
89
R
-
CD
PRO
A
220
L
-
HA
GLN
V
90
R
-
CD
PRO
A
220
L
-
HD2
PRO
V
91
R
-
N
ALA
A
221
L
-
N
LEU
V
89
R
-
N
ALA
A
221
L
-
O
LEU
V
89
R
-
N
ALA
A
221
L
-
H
LEU
V
89
R
-
N
ALA
A
221
L
-
HB2
LEU
V
89
R
-
CA
ALA
A
221
L
-
O
ALA
V
87
R
-
CA
ALA
A
221
L
-
HA
LEU
V
88
R
-
CA
ALA
A
221
L
-
N
LEU
V
89
R
-
CA
ALA
A
221
L
-
H
LEU
V
89
R
-
CA
ALA
A
221
L
-
HB2
LEU
V
89
R
-
CB
ALA
A
221
L
-
O
ALA
V
87
R
-
CB
ALA
A
221
L
-
CA
LEU
V
88
R
-
CB
ALA
A
221
L
-
C
LEU
V
88
R
-
CB
ALA
A
221
L
-
CB
LEU
V
88
R
-
CB
ALA
A
221
L
-
HA
LEU
V
88
R
-
CB
ALA
A
221
L
-
HB3
LEU
V
88
R
-
CB
ALA
A
221
L
-
HD21
LEU
V
88
R
-
CB
ALA
A
221
L
-
HD22
LEU
V
88
R
-
CB
ALA
A
221
L
-
N
LEU
V
89
R
-
CB
ALA
A
221
L
-
O
LEU
V
89
R
-
CB
ALA
A
221
L
-
H
LEU
V
89
R
H
C
ALA
A
272
L
H
HA
ALA
V
189
R
H
O
ALA
A
272
L
H
N
ALA
V
189
R
H
O
ALA
A
272
L
H
CA
ALA
V
189
R
H
O
ALA
A
272
L
H
HA
ALA
V
189
R
H
O
ALA
A
272
L
H
HB3
ALA
V
189
R
-
N
ALA
A
273
L
H
HB2
GLN
V
188
R
-
CA
ALA
A
273
L
H
CB
GLN
V
188
R
-
CA
ALA
A
273
L
H
HB2
GLN
V
188
R
-
CA
ALA
A
273
L
-
OG
SER
V
192
R
-
CA
ALA
A
273
L
-
HG
SER
V
192
R
-
C
ALA
A
273
L
H
HB2
GLN
V
188
R
-
C
ALA
A
273
L
-
CB
SER
V
192
R
-
C
ALA
A
273
L
-
OG
SER
V
192
R
-
C
ALA
A
273
L
-
HB2
SER
V
192
R
-
C
ALA
A
273
L
-
HB3
SER
V
192
R
-
C
ALA
A
273
L
-
HG
SER
V
192
R
-
CB
ALA
A
273
L
H
CB
GLN
V
188
R
-
CB
ALA
A
273
L
H
CG
GLN
V
188
R
-
CB
ALA
A
273
L
H
CD
GLN
V
188
R
-
CB
ALA
A
273
L
H
OE1
GLN
V
188
R
-
CB
ALA
A
273
L
H
HB2
GLN
V
188
R
-
CB
ALA
A
273
L
H
HG2
GLN
V
188
R
-
CB
ALA
A
273
L
-
OG
SER
V
192
R
-
O
ALA
A
273
L
H
O
GLN
V
188
R
-
O
ALA
A
273
L
H
HB2
GLN
V
188
R
-
O
ALA
A
273
L
-
CA
SER
V
192
R
-
O
ALA
A
273
L
-
CB
SER
V
192
R
-
O
ALA
A
273
L
-
OG
SER
V
192
R
-
O
ALA
A
273
L
-
HB2
SER
V
192
R
-
O
ALA
A
273
L
-
HB3
SER
V
192
R
-
O
ALA
A
273
L
-
HG
SER
V
192
R
-
N
GLN
A
274
L
-
HB2
SER
V
192
R
-
N
GLN
A
274
L
-
HB3
SER
V
192
R
-
CA
GLN
A
274
L
-
HB2
SER
V
192
R
-
CA
GLN
A
274
L
-
HB3
SER
V
192
R
-
C
GLN
A
274
L
-
CB
SER
V
192
R
-
C
GLN
A
274
L
-
HB2
SER
V
192
R
-
C
GLN
A
274
L
-
HB3
SER
V
192
R
-
O
GLN
A
274
L
-
HB2
SER
V
192
R
-
N
PRO
A
275
L
-
CB
SER
V
192
R
-
N
PRO
A
275
L
-
HB2
SER
V
192
R
-
N
PRO
A
275
L
-
HB3
SER
V
192
R
-
CA
PRO
A
275
L
-
HB2
SER
V
192
R
-
CA
PRO
A
275
L
-
HB2
ASP
V
193
R
-
CB
PRO
A
275
L
-
N
ASP
V
193
R
-
CB
PRO
A
275
L
-
CA
ASP
V
193
R
-
CB
PRO
A
275
L
-
CB
ASP
V
193
R
-
CB
PRO
A
275
L
-
HA
ASP
V
193
R
-
CB
PRO
A
275
L
-
HB2
ASP
V
193
R
-
CG
PRO
A
275
L
-
C
SER
V
192
R
-
CG
PRO
A
275
L
-
O
SER
V
192
R
-
CG
PRO
A
275
L
-
HB2
SER
V
192
R
-
CG
PRO
A
275
L
-
HB3
SER
V
192
R
-
CG
PRO
A
275
L
-
N
ASP
V
193
R
-
CG
PRO
A
275
L
-
CA
ASP
V
193
R
-
CG
PRO
A
275
L
-
CB
ASP
V
193
R
-
CG
PRO
A
275
L
-
H
ASP
V
193
R
-
CG
PRO
A
275
L
-
HA
ASP
V
193
R
-
CG
PRO
A
275
L
-
HB2
ASP
V
193
R
-
CG
PRO
A
275
L
H
HD3
PRO
V
194
R
-
CD
PRO
A
275
L
-
CB
SER
V
192
R
-
CD
PRO
A
275
L
-
O
SER
V
192
R
-
CD
PRO
A
275
L
-
HB2
SER
V
192
R
-
CD
PRO
A
275
L
-
HB3
SER
V
192
R
-
CD
PRO
A
275
L
-
HA
ASP
V
193