A1IGU5_Q8TAI7.1
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
GLU
A
285
L
H
GLU
V
105
R
H
ASN
A
289
L
H
HIS
V
104
R
H
ASN
A
289
L
H
GLU
V
105
R
H
ALA
A
292
L
H
HIS
V
104
R
H
ALA
A
292
L
-
LYS
V
109
R
H
TYR
A
293
L
H
HIS
V
104
R
H
TYR
A
293
L
H
SER
V
140
R
H
ASP
A
295
L
-
LYS
V
109
R
H
ASN
A
296
L
H
HIS
V
104
R
H
ASN
A
296
L
-
LYS
V
109
R
H
ASN
A
296
L
-
THR
V
110
R
H
ASN
A
296
L
-
ARG
V
111
R
H
ALA
A
299
L
-
ARG
V
111
R
H
ALA
A
299
L
H
SER
V
173
R
H
ALA
A
299
L
H
GLU
V
177
R
H
PHE
A
300
L
-
ARG
V
111
R
H
PHE
A
300
L
-
GLY
V
142
R
H
PHE
A
300
L
H
ARG
V
169
R
H
TYR
A
302
L
H
SER
V
173
R
H
TYR
A
302
L
H
GLN
V
176
R
H
TYR
A
302
L
H
GLU
V
177
R
H
TYR
A
302
L
H
CYS
V
180
R
-
PHE
A
303
L
-
ARG
V
111
R
-
PHE
A
303
L
H
ARG
V
169
R
-
PHE
A
303
L
H
SER
V
173
R
-
TYR
A
308
L
H
GLN
V
176
R
H
PHE
A
332
L
H
GLU
V
139
R
H
GLN
A
428
L
H
SER
V
140
R
H
ALA
A
432
L
H
LYS
V
136
R
H
LYS
A
433
L
H
LYS
V
136
R
H
VAL
A
435
L
H
LYS
V
135
R
H
VAL
A
435
L
H
GLU
V
139
R
H
LEU
A
436
L
H
VAL
V
132
R
H
LEU
A
436
L
H
LYS
V
136
R
H
ALA
A
439
L
H
LYS
V
135
R
H
ARG
A
457
L
-
GLU
V
152
R
H
GLU
A
461
L
H
GLN
V
154
R
-
LEU
A
491
L
-
MET
V
1
R
H
SER
A
494
L
-
MET
V
1
R
-
SER
A
518
L
S
THR
V
48
R
-
GLY
A
519
L
S
ILE
V
46
R
-
GLY
A
519
L
S
THR
V
48
R
-
THR
A
520
L
S
LYS
V
45
R
-
THR
A
520
L
S
ILE
V
46
R
-
GLY
A
521
L
S
LYS
V
45
R
-
GLY
A
521
L
S
ILE
V
46
R
-
THR
A
522
L
H
VAL
V
27
R
-
THR
A
522
L
S
SER
V
44
R
-
THR
A
522
L
S
LYS
V
45
R
-
THR
A
522
L
S
ILE
V
46
R
-
LEU
A
523
L
S
SER
V
44
R
-
LEU
A
523
L
S
LYS
V
45
R
-
LEU
A
523
L
S
ILE
V
46
R
-
ASP
A
524
L
S
ILE
V
46
R
-
LEU
A
525
L
S
ILE
V
46
R
-
LEU
A
525
L
S
GLU
V
53
R
-
LEU
A
525
L
S
HIS
V
55
R
-
THR
A
526
L
-
PRO
V
2
R
-
THR
A
526
L
S
ILE
V
46
R
-
THR
A
526
L
S
GLU
V
53
R
-
THR
A
526
L
S
HIS
V
55
R
-
PRO
A
528
L
-
MET
V
1
R
-
PRO
A
528
L
-
PRO
V
2
R
-
GLN
A
531
L
-
MET
V
1
R
-
HIS
A
555
L
S
TYR
V
6
A1IGU5_Q8TAI7.1
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
OE1
GLU
A
285
L
H
OE1
GLU
V
105
R
H
O
ASN
A
289
L
H
HE2
HIS
V
104
R
H
ND2
ASN
A
289
L
H
OE1
GLU
V
105
R
H
OD1
ASN
A
289
L
H
CG
GLU
V
105
R
H
OD1
ASN
A
289
L
H
OE1
GLU
V
105
R
H
OD1
ASN
A
289
L
H
HG2
GLU
V
105
R
H
OD1
ASN
A
289
L
H
HG3
GLU
V
105
R
H
CA
ALA
A
292
L
H
NE2
HIS
V
104
R
H
CA
ALA
A
292
L
H
HE2
HIS
V
104
R
H
CA
ALA
A
292
L
-
HG2
LYS
V
109
R
H
C
ALA
A
292
L
H
CE1
HIS
V
104
R
H
C
ALA
A
292
L
H
NE2
HIS
V
104
R
H
C
ALA
A
292
L
H
HE1
HIS
V
104
R
H
C
ALA
A
292
L
H
HE2
HIS
V
104
R
H
CB
ALA
A
292
L
H
CD2
HIS
V
104
R
H
CB
ALA
A
292
L
H
NE2
HIS
V
104
R
H
CB
ALA
A
292
L
H
HE2
HIS
V
104
R
H
O
ALA
A
292
L
H
CE1
HIS
V
104
R
H
O
ALA
A
292
L
H
NE2
HIS
V
104
R
H
O
ALA
A
292
L
H
HE1
HIS
V
104
R
H
O
ALA
A
292
L
H
HE2
HIS
V
104
R
H
N
TYR
A
293
L
H
NE2
HIS
V
104
R
H
N
TYR
A
293
L
H
HE2
HIS
V
104
R
H
CA
TYR
A
293
L
H
HE2
HIS
V
104
R
H
CE2
TYR
A
293
L
H
O
SER
V
140
R
H
OH
TYR
A
293
L
H
CA
SER
V
140
R
H
OH
TYR
A
293
L
H
C
SER
V
140
R
H
OH
TYR
A
293
L
H
CB
SER
V
140
R
H
OH
TYR
A
293
L
H
O
SER
V
140
R
H
OH
TYR
A
293
L
H
HA
SER
V
140
R
H
OH
TYR
A
293
L
H
HB2
SER
V
140
R
H
CZ
TYR
A
293
L
H
O
SER
V
140
R
H
CB
ASP
A
295
L
-
HB3
LYS
V
109
R
H
CB
ASP
A
295
L
-
HG2
LYS
V
109
R
H
CB
ASP
A
295
L
-
HD3
LYS
V
109
R
H
CG
ASP
A
295
L
-
CD
LYS
V
109
R
H
CG
ASP
A
295
L
-
HB3
LYS
V
109
R
H
CG
ASP
A
295
L
-
HG2
LYS
V
109
R
H
CG
ASP
A
295
L
-
HD3
LYS
V
109
R
H
CG
ASP
A
295
L
-
HE2
LYS
V
109
R
H
OD1
ASP
A
295
L
-
HD3
LYS
V
109
R
H
OD2
ASP
A
295
L
-
CB
LYS
V
109
R
H
OD2
ASP
A
295
L
-
CG
LYS
V
109
R
H
OD2
ASP
A
295
L
-
CD
LYS
V
109
R
H
OD2
ASP
A
295
L
-
CE
LYS
V
109
R
H
OD2
ASP
A
295
L
-
NZ
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HB3
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HG2
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HD2
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HD3
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HE2
LYS
V
109
R
H
OD2
ASP
A
295
L
-
HZ3
LYS
V
109
R
H
CB
ASN
A
296
L
H
CE1
HIS
V
104
R
H
CB
ASN
A
296
L
H
HE1
HIS
V
104
R
H
O
ASN
A
296
L
-
HD3
ARG
V
111
R
H
CG
ASN
A
296
L
H
ND1
HIS
V
104
R
H
CG
ASN
A
296
L
H
CE1
HIS
V
104
R
H
CG
ASN
A
296
L
H
NE2
HIS
V
104
R
H
CG
ASN
A
296
L
H
HE1
HIS
V
104
R
H
CG
ASN
A
296
L
H
HE2
HIS
V
104
R
H
CG
ASN
A
296
L
-
HA
ARG
V
111
R
H
ND2
ASN
A
296
L
H
CG
HIS
V
104
R
H
ND2
ASN
A
296
L
H
CD2
HIS
V
104
R
H
ND2
ASN
A
296
L
H
ND1
HIS
V
104
R
H
ND2
ASN
A
296
L
H
CE1
HIS
V
104
R
H
ND2
ASN
A
296
L
H
NE2
HIS
V
104
R
H
ND2
ASN
A
296
L
H
HE1
HIS
V
104
R
H
ND2
ASN
A
296
L
H
HE2
HIS
V
104
R
H
OD1
ASN
A
296
L
H
ND1
HIS
V
104
R
H
OD1
ASN
A
296
L
H
CE1
HIS
V
104
R
H
OD1
ASN
A
296
L
H
HE1
HIS
V
104
R
H
OD1
ASN
A
296
L
-
O
LYS
V
109
R
H
OD1
ASN
A
296
L
-
C
THR
V
110
R
H
OD1
ASN
A
296
L
-
O
THR
V
110
R
H
OD1
ASN
A
296
L
-
N
ARG
V
111
R
H
OD1
ASN
A
296
L
-
CA
ARG
V
111
R
H
OD1
ASN
A
296
L
-
CB
ARG
V
111
R
H
OD1
ASN
A
296
L
-
H
ARG
V
111
R
H
OD1
ASN
A
296
L
-
HA
ARG
V
111
R
H
OD1
ASN
A
296
L
-
HB2
ARG
V
111
R
H
CA
ALA
A
299
L
H
OE1
GLU
V
177
R
H
C
ALA
A
299
L
-
NH1
ARG
V
111
R
H
C
ALA
A
299
L
-
HD3
ARG
V
111
R
H
C
ALA
A
299
L
-
HH11
ARG
V
111
R
H
CB
ALA
A
299
L
-
HB2
ARG
V
111
R
H
CB
ALA
A
299
L
-
HD2
ARG
V
111
R
H
CB
ALA
A
299
L
-
HD3
ARG
V
111
R
H
O
ALA
A
299
L
-
NH1
ARG
V
111
R
H
O
ALA
A
299
L
-
HH11
ARG
V
111
R
H
O
ALA
A
299
L
-
HH12
ARG
V
111
R
H
O
ALA
A
299
L
H
HB2
SER
V
173
R
H
O
ALA
A
299
L
H
HB3
SER
V
173
R
H
N
PHE
A
300
L
-
NH1
ARG
V
111
R
H
N
PHE
A
300
L
-
HD3
ARG
V
111
R
H
N
PHE
A
300
L
-
HH11
ARG
V
111
R
H
N
PHE
A
300
L
-
HH12
ARG
V
111
R
H
CA
PHE
A
300
L
-
NH1
ARG
V
111
R
H
CA
PHE
A
300
L
-
CZ
ARG
V
111
R
H
CA
PHE
A
300
L
-
HD3
ARG
V
111
R
H
CA
PHE
A
300
L
-
HH11
ARG
V
111
R
H
CA
PHE
A
300
L
-
HH12
ARG
V
111
R
H
C
PHE
A
300
L
-
NH1
ARG
V
111
R
H
C
PHE
A
300
L
-
HH11
ARG
V
111
R
H
C
PHE
A
300
L
-
HH12
ARG
V
111
R
H
CB
PHE
A
300
L
-
NH1
ARG
V
111
R
H
CB
PHE
A
300
L
-
CZ
ARG
V
111
R
H
CB
PHE
A
300
L
-
HH11
ARG
V
111
R
H
CB
PHE
A
300
L
-
HH12
ARG
V
111
R
H
CB
PHE
A
300
L
-
HA3
GLY
V
142
R
H
O
PHE
A
300
L
-
HH12
ARG
V
111
R
H
O
PHE
A
300
L
H
HH21
ARG
V
169
R
H
CG
PHE
A
300
L
-
HH12
ARG
V
111
R
H
CG
PHE
A
300
L
-
HH22
ARG
V
111
R
H
CG
PHE
A
300
L
-
HA2
GLY
V
142
R
H
CG
PHE
A
300
L
-
HA3
GLY
V
142
R
H
CG
PHE
A
300
L
H
HH22
ARG
V
169
R
H
CD2
PHE
A
300
L
-
NH1
ARG
V
111
R
H
CD2
PHE
A
300
L
-
NH2
ARG
V
111
R
H
CD2
PHE
A
300
L
-
CZ
ARG
V
111
R
H
CD2
PHE
A
300
L
-
HH12
ARG
V
111
R
H
CD2
PHE
A
300
L
-
HH21
ARG
V
111
R
H
CD2
PHE
A
300
L
-
HH22
ARG
V
111
R
H
CD2
PHE
A
300
L
-
CA
GLY
V
142
R
H
CD2
PHE
A
300
L
-
O
GLY
V
142
R
H
CD2
PHE
A
300
L
-
HA2
GLY
V
142
R
H
CD2
PHE
A
300
L
-
HA3
GLY
V
142
R
H
CD2
PHE
A
300
L
H
NH2
ARG
V
169
R
H
CD2
PHE
A
300
L
H
HH21
ARG
V
169
R
H
CD2
PHE
A
300
L
H
HH22
ARG
V
169
R
H
CE2
PHE
A
300
L
-
NH2
ARG
V
111
R
H
CE2
PHE
A
300
L
-
HH22
ARG
V
111
R
H
CE2
PHE
A
300
L
-
CA
GLY
V
142
R
H
CE2
PHE
A
300
L
-
HA2
GLY
V
142
R
H
CE2
PHE
A
300
L
-
HA3
GLY
V
142
R
H
CE2
PHE
A
300
L
H
NH2
ARG
V
169
R
H
CE2
PHE
A
300
L
H
CZ
ARG
V
169
R
H
CE2
PHE
A
300
L
H
HH12
ARG
V
169
R
H
CE2
PHE
A
300
L
H
HH21
ARG
V
169
R
H
CE2
PHE
A
300
L
H
HH22
ARG
V
169
R
H
CZ
PHE
A
300
L
-
HA2
GLY
V
142
R
H
CZ
PHE
A
300
L
H
NH2
ARG
V
169
R
H
CZ
PHE
A
300
L
H
HH22
ARG
V
169
R
H
CG
TYR
A
302
L
H
HG3
GLU
V
177
R
H
CD1
TYR
A
302
L
H
O
SER
V
173
R
H
CD1
TYR
A
302
L
H
HA
SER
V
173
R
H
CD1
TYR
A
302
L
H
HB2
SER
V
173
R
H
CD1
TYR
A
302
L
H
CB
GLN
V
176
R
H
CD1
TYR
A
302
L
H
OE1
GLN
V
176
R
H
CD1
TYR
A
302
L
H
HB2
GLN
V
176
R
H
CD1
TYR
A
302
L
H
HB3
GLN
V
176
R
H
CD1
TYR
A
302
L
H
HG3
GLU
V
177
R
H
CE1
TYR
A
302
L
H
O
SER
V
173
R
H
CE1
TYR
A
302
L
H
HA
SER
V
173
R
H
CE1
TYR
A
302
L
H
CA
GLN
V
176
R
H
CE1
TYR
A
302
L
H
C
GLN
V
176
R
H
CE1
TYR
A
302
L
H
CB
GLN
V
176
R
H
CE1
TYR
A
302
L
H
CG
GLN
V
176
R
H
CE1
TYR
A
302
L
H
CD
GLN
V
176
R
H
CE1
TYR
A
302
L
H
OE1
GLN
V
176
R
H
CE1
TYR
A
302
L
H
HB2
GLN
V
176
R
H
CE1
TYR
A
302
L
H
HB3
GLN
V
176
R
H
CE1
TYR
A
302
L
H
N
GLU
V
177
R
H
CE1
TYR
A
302
L
H
H
GLU
V
177
R
H
CE1
TYR
A
302
L
H
HG3
GLU
V
177
R
H
CE2
TYR
A
302
L
H
HB3
GLN
V
176
R
H
CE2
TYR
A
302
L
H
HG
CYS
V
180
R
H
OH
TYR
A
302
L
H
CA
GLN
V
176
R
H
OH
TYR
A
302
L
H
C
GLN
V
176
R
H
OH
TYR
A
302
L
H
CB
GLN
V
176
R
H
OH
TYR
A
302
L
H
O
GLN
V
176
R
H
OH
TYR
A
302
L
H
CG
GLN
V
176
R
H
OH
TYR
A
302
L
H
HA
GLN
V
176
R
H
OH
TYR
A
302
L
H
HB2
GLN
V
176
R
H
OH
TYR
A
302
L
H
HB3
GLN
V
176
R
H
OH
TYR
A
302
L
H
HG2
GLN
V
176
R
H
OH
TYR
A
302
L
H
N
GLU
V
177
R
H
OH
TYR
A
302
L
H
H
GLU
V
177
R
H
OH
TYR
A
302
L
H
HA
GLU
V
177
R
H
OH
TYR
A
302
L
H
SG
CYS
V
180
R
H
OH
TYR
A
302
L
H
HG
CYS
V
180
R
H
CZ
TYR
A
302
L
H
CA
GLN
V
176
R
H
CZ
TYR
A
302
L
H
C
GLN
V
176
R
H
CZ
TYR
A
302
L
H
CB
GLN
V
176
R
H
CZ
TYR
A
302
L
H
O
GLN
V
176
R
H
CZ
TYR
A
302
L
H
OE1
GLN
V
176
R
H
CZ
TYR
A
302
L
H
HB2
GLN
V
176
R
H
CZ
TYR
A
302
L
H
HB3
GLN
V
176
R
H
CZ
TYR
A
302
L
H
N
GLU
V
177
R
H
CZ
TYR
A
302
L
H
H
GLU
V
177
R
H
CZ
TYR
A
302
L
H
HA
GLU
V
177
R
H
CZ
TYR
A
302
L
H
HG3
GLU
V
177
R
H
CZ
TYR
A
302
L
H
HG
CYS
V
180
R
-
CB
PHE
A
303
L
-
HH12
ARG
V
111
R
-
CB
PHE
A
303
L
H
HE
ARG
V
169
R
-
CB
PHE
A
303
L
H
HH21
ARG
V
169
R
-
CB
PHE
A
303
L
H
HB3
SER
V
173
R
-
O
PHE
A
303
L
H
HH21
ARG
V
169
R
-
CG
PHE
A
303
L
H
CG
ARG
V
169
R
-
CG
PHE
A
303
L
H
NE
ARG
V
169
R
-
CG
PHE
A
303
L
H
HG2
ARG
V
169
R
-
CG
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CG
PHE
A
303
L
H
HE
ARG
V
169
R
-
CD1
PHE
A
303
L
H
CG
ARG
V
169
R
-
CD1
PHE
A
303
L
H
CD
ARG
V
169
R
-
CD1
PHE
A
303
L
H
NE
ARG
V
169
R
-
CD1
PHE
A
303
L
H
NH2
ARG
V
169
R
-
CD1
PHE
A
303
L
H
CZ
ARG
V
169
R
-
CD1
PHE
A
303
L
H
HG2
ARG
V
169
R
-
CD1
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CD1
PHE
A
303
L
H
HD3
ARG
V
169
R
-
CD1
PHE
A
303
L
H
HE
ARG
V
169
R
-
CD1
PHE
A
303
L
H
HH21
ARG
V
169
R
-
CD2
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CD2
PHE
A
303
L
H
HE
ARG
V
169
R
-
CE1
PHE
A
303
L
H
CG
ARG
V
169
R
-
CE1
PHE
A
303
L
H
CD
ARG
V
169
R
-
CE1
PHE
A
303
L
H
NE
ARG
V
169
R
-
CE1
PHE
A
303
L
H
HG2
ARG
V
169
R
-
CE1
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CE1
PHE
A
303
L
H
HD3
ARG
V
169
R
-
CE1
PHE
A
303
L
H
HE
ARG
V
169
R
-
CE2
PHE
A
303
L
H
HA
ARG
V
169
R
-
CE2
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CZ
PHE
A
303
L
H
CG
ARG
V
169
R
-
CZ
PHE
A
303
L
H
HG3
ARG
V
169
R
-
CE2
TYR
A
308
L
H
HE22
GLN
V
176
R
-
OH
TYR
A
308
L
H
NE2
GLN
V
176
R
-
OH
TYR
A
308
L
H
HE21
GLN
V
176
R
-
OH
TYR
A
308
L
H
HE22
GLN
V
176
R
-
CZ
TYR
A
308
L
H
HE22
GLN
V
176
R
H
CE1
PHE
A
332
L
H
HB3
GLU
V
139
R
H
CZ
PHE
A
332
L
H
HB3
GLU
V
139
R
H
CD
GLN
A
428
L
H
HB2
SER
V
140
R
H
NE2
GLN
A
428
L
H
HB2
SER
V
140
R
H
OE1
GLN
A
428
L
H
CB
SER
V
140
R
H
OE1
GLN
A
428
L
H
HA
SER
V
140
R
H
OE1
GLN
A
428
L
H
HB2
SER
V
140
R
H
OE1
GLN
A
428
L
H
HB3
SER
V
140
R
H
N
ALA
A
432
L
H
HE3
LYS
V
136
R
H
CA
ALA
A
432
L
H
CG
LYS
V
136
R
H
CA
ALA
A
432
L
H
CD
LYS
V
136
R
H
CA
ALA
A
432
L
H
CE
LYS
V
136
R
H
CA
ALA
A
432
L
H
HG3
LYS
V
136
R
H
CA
ALA
A
432
L
H
HD3
LYS
V
136
R
H
CA
ALA
A
432
L
H
HE3
LYS
V
136
R
H
CA
ALA
A
432
L
H
HZ3
LYS
V
136
R
H
C
ALA
A
432
L
H
CD
LYS
V
136
R
H
C
ALA
A
432
L
H
CE
LYS
V
136
R
H
C
ALA
A
432
L
H
NZ
LYS
V
136
R
H
C
ALA
A
432
L
H
HG3
LYS
V
136
R
H
C
ALA
A
432
L
H
HD3
LYS
V
136
R
H
C
ALA
A
432
L
H
HE2
LYS
V
136
R
H
C
ALA
A
432
L
H
HE3
LYS
V
136
R
H
C
ALA
A
432
L
H
HZ1
LYS
V
136
R
H
C
ALA
A
432
L
H
HZ3
LYS
V
136
R
H
CB
ALA
A
432
L
H
CB
LYS
V
136
R
H
CB
ALA
A
432
L
H
CG
LYS
V
136
R
H
CB
ALA
A
432
L
H
CD
LYS
V
136
R
H
CB
ALA
A
432
L
H
CE
LYS
V
136
R
H
CB
ALA
A
432
L
H
NZ
LYS
V
136
R
H
CB
ALA
A
432
L
H
HB3
LYS
V
136
R
H
CB
ALA
A
432
L
H
HG3
LYS
V
136
R
H
CB
ALA
A
432
L
H
HD2
LYS
V
136
R
H
CB
ALA
A
432
L
H
HD3
LYS
V
136
R
H
CB
ALA
A
432
L
H
HE2
LYS
V
136
R
H
CB
ALA
A
432
L
H
HE3
LYS
V
136
R
H
CB
ALA
A
432
L
H
HZ3
LYS
V
136
R
H
O
ALA
A
432
L
H
CE
LYS
V
136
R
H
O
ALA
A
432
L
H
NZ
LYS
V
136
R
H
O
ALA
A
432
L
H
HG3
LYS
V
136
R
H
O
ALA
A
432
L
H
HE2
LYS
V
136
R
H
O
ALA
A
432
L
H
HE3
LYS
V
136
R
H
O
ALA
A
432
L
H
HZ1
LYS
V
136
R
H
O
ALA
A
432
L
H
HZ3
LYS
V
136
R
H
N
LYS
A
433
L
H
CE
LYS
V
136
R
H
N
LYS
A
433
L
H
NZ
LYS
V
136
R
H
N
LYS
A
433
L
H
HE3
LYS
V
136
R
H
N
LYS
A
433
L
H
HZ1
LYS
V
136
R
H
N
LYS
A
433
L
H
HZ3
LYS
V
136
R
H
CA
LYS
A
433
L
H
HE3
LYS
V
136
R
H
CA
LYS
A
433
L
H
HZ1
LYS
V
136
R
H
CG
LYS
A
433
L
H
HZ1
LYS
V
136
R
H
CG
LYS
A
433
L
H
HZ3
LYS
V
136
R
H
CB
VAL
A
435
L
H
OE2
GLU
V
139
R
H
CG1
VAL
A
435
L
H
HE2
LYS
V
135
R
H
CG1
VAL
A
435
L
H
CD
GLU
V
139
R
H
CG1
VAL
A
435
L
H
OE1
GLU
V
139
R
H
CG1
VAL
A
435
L
H
OE2
GLU
V
139
R
H
CG2
VAL
A
435
L
H
OE2
GLU
V
139
R
H
CB
LEU
A
436
L
H
HG23
VAL
V
132
R
H
CB
LEU
A
436
L
H
HE2
LYS
V
136
R
H
CB
LEU
A
436
L
H
HE3
LYS
V
136
R
H
CG
LEU
A
436
L
H
HG21
VAL
V
132
R
H
CG
LEU
A
436
L
H
HG23
VAL
V
132
R
H
CD1
LEU
A
436
L
H
CG2
VAL
V
132
R
H
CD1
LEU
A
436
L
H
HG21
VAL
V
132
R
H
CD1
LEU
A
436
L
H
HG23
VAL
V
132
R
H
CD2
LEU
A
436
L
H
CG2
VAL
V
132
R
H
CD2
LEU
A
436
L
H
HG21
VAL
V
132
R
H
CD2
LEU
A
436
L
H
HG22
VAL
V
132
R
H
CD2
LEU
A
436
L
H
HG23
VAL
V
132
R
H
CD2
LEU
A
436
L
H
HE2
LYS
V
136
R
H
CD2
LEU
A
436
L
H
HZ1
LYS
V
136
R
H
CB
ALA
A
439
L
H
HZ1
LYS
V
135
R
H
CB
ALA
A
439
L
H
HZ2
LYS
V
135
R
H
NE
ARG
A
457
L
-
OE2
GLU
V
152
R
H
NH1
ARG
A
457
L
-
CG
GLU
V
152
R
H
NH1
ARG
A
457
L
-
CD
GLU
V
152
R
H
NH1
ARG
A
457
L
-
OE1
GLU
V
152
R
H
NH1
ARG
A
457
L
-
OE2
GLU
V
152
R
H
NH1
ARG
A
457
L
-
HG2
GLU
V
152
R
H
NH2
ARG
A
457
L
-
CB
GLU
V
152
R
H
NH2
ARG
A
457
L
-
CG
GLU
V
152
R
H
NH2
ARG
A
457
L
-
CD
GLU
V
152
R
H
NH2
ARG
A
457
L
-
OE2
GLU
V
152
R
H
NH2
ARG
A
457
L
-
HB3
GLU
V
152
R
H
NH2
ARG
A
457
L
-
HG2
GLU
V
152
R
H
CZ
ARG
A
457
L
-
CG
GLU
V
152
R
H
CZ
ARG
A
457
L
-
CD
GLU
V
152
R
H
CZ
ARG
A
457
L
-
OE2
GLU
V
152
R
H
CZ
ARG
A
457
L
-
HG2
GLU
V
152
R
H
CB
GLU
A
461
L
H
HE22
GLN
V
154
R
H
CG
GLU
A
461
L
H
OE1
GLN
V
154
R
H
CG
GLU
A
461
L
H
HE22
GLN
V
154
R
H
CD
GLU
A
461
L
H
OE1
GLN
V
154
R
H
OE1
GLU
A
461
L
H
OE1
GLN
V
154
R
-
CD1
LEU
A
491
L
-
HE3
MET
V
1
R
-
CD2
LEU
A
491
L
-
HE3
MET
V
1
R
H
OG
SER
A
494
L
-
HE1
MET
V
1
R
-
CB
SER
A
518
L
S
OG1
THR
V
48
R
-
CB
SER
A
518
L
S
HG21
THR
V
48
R
-
OG
SER
A
518
L
S
HG21
THR
V
48
R
-
N
GLY
A
519
L
S
HG21
ILE
V
46
R
-
CA
GLY
A
519
L
S
CG2
ILE
V
46
R
-
CA
GLY
A
519
L
S
HB
ILE
V
46
R
-
CA
GLY
A
519
L
S
HG21
ILE
V
46
R
-
CA
GLY
A
519
L
S
HG23
ILE
V
46
R
-
CA
GLY
A
519
L
S
HD12
ILE
V
46
R
-
C
GLY
A
519
L
S
CB
ILE
V
46
R
-
C
GLY
A
519
L
S
CG2
ILE
V
46
R
-
C
GLY
A
519
L
S
HB
ILE
V
46
R
-
C
GLY
A
519
L
S
HG21
ILE
V
46
R
-
C
GLY
A
519
L
S
HG23
ILE
V
46
R
-
C
GLY
A
519
L
S
HG1
THR
V
48
R
-
O
GLY
A
519
L
S
C
ILE
V
46
R
-
O
GLY
A
519
L
S
CB
ILE
V
46
R
-
O
GLY
A
519
L
S
O
ILE
V
46
R
-
O
GLY
A
519
L
S
CG2
ILE
V
46
R
-
O
GLY
A
519
L
S
HB
ILE
V
46
R
-
O
GLY
A
519
L
S
HG21
ILE
V
46
R
-
O
GLY
A
519
L
S
HG23
ILE
V
46
R
-
O
GLY
A
519
L
S
OG1
THR
V
48
R
-
O
GLY
A
519
L
S
H
THR
V
48
R
-
O
GLY
A
519
L
S
HG1
THR
V
48
R
-
N
THR
A
520
L
S
HB
ILE
V
46
R
-
CA
THR
A
520
L
S
O
ILE
V
46
R
-
C
THR
A
520
L
S
HE3
LYS
V
45
R
-
C
THR
A
520
L
S
O
ILE
V
46
R
-
O
THR
A
520
L
S
CG
LYS
V
45
R
-
O
THR
A
520
L
S
CE
LYS
V
45
R
-
O
THR
A
520
L
S
NZ
LYS
V
45
R
-
O
THR
A
520
L
S
HG2
LYS
V
45
R
-
O
THR
A
520
L
S
HG3
LYS
V
45
R
-
O
THR
A
520
L
S
HE2
LYS
V
45
R
-
O
THR
A
520
L
S
HE3
LYS
V
45
R
-
O
THR
A
520
L
S
HZ2
LYS
V
45
R
-
O
THR
A
520
L
S
O
ILE
V
46
R
-
N
GLY
A
521
L
S
HE3
LYS
V
45
R
-
CA
GLY
A
521
L
S
HG2
LYS
V
45
R
-
CA
GLY
A
521
L
S
HE3
LYS
V
45
R
-
C
GLY
A
521
L
S
HA
LYS
V
45
R
-
C
GLY
A
521
L
S
HG2
LYS
V
45
R
-
C
GLY
A
521
L
S
H
ILE
V
46
R
-
O
GLY
A
521
L
S
HA
LYS
V
45
R
-
O
GLY
A
521
L
S
HG2
LYS
V
45
R
-
O
GLY
A
521
L
S
N
ILE
V
46
R
-
O
GLY
A
521
L
S
H
ILE
V
46
R
-
O
GLY
A
521
L
S
HB
ILE
V
46
R
-
O
GLY
A
521
L
S
HG13
ILE
V
46
R
-
O
GLY
A
521
L
S
HD12
ILE
V
46
R
-
N
THR
A
522
L
S
HA
LYS
V
45
R
-
N
THR
A
522
L
S
HG2
LYS
V
45
R
-
N
THR
A
522
L
S
H
ILE
V
46
R
-
CA
THR
A
522
L
S
O
SER
V
44
R
-
CA
THR
A
522
L
S
HA
LYS
V
45
R
-
CA
THR
A
522
L
S
HG2
LYS
V
45
R
-
CA
THR
A
522
L
S
H
ILE
V
46
R
-
CB
THR
A
522
L
H
HG11
VAL
V
27
R
-
CB
THR
A
522
L
H
HG13
VAL
V
27
R
-
CB
THR
A
522
L
S
O
SER
V
44
R
-
CB
THR
A
522
L
S
HA
LYS
V
45
R
-
CG2
THR
A
522
L
H
HG12
VAL
V
27
R
-
CG2
THR
A
522
L
H
HG13
VAL
V
27
R
-
CG2
THR
A
522
L
S
C
SER
V
44
R
-
CG2
THR
A
522
L
S
O
SER
V
44
R
-
CG2
THR
A
522
L
S
H
SER
V
44
R
-
CG2
THR
A
522
L
S
HB2
SER
V
44
R
-
OG1
THR
A
522
L
H
O
VAL
V
27
R
-
OG1
THR
A
522
L
H
CG1
VAL
V
27
R
-
OG1
THR
A
522
L
H
HG11
VAL
V
27
R
-
OG1
THR
A
522
L
H
HG12
VAL
V
27
R
-
OG1
THR
A
522
L
H
HG13
VAL
V
27
R
-
OG1
THR
A
522
L
S
O
SER
V
44
R
-
OG1
THR
A
522
L
S
HB2
LYS
V
45
R
-
N
LEU
A
523
L
S
HA
LYS
V
45
R
-
N
LEU
A
523
L
S
HG13
ILE
V
46
R
-
C
LEU
A
523
L
S
HD11
ILE
V
46
R
-
C
LEU
A
523
L
S
HD12
ILE
V
46
R
-
O
LEU
A
523
L
S
HD11
ILE
V
46
R
-
O
LEU
A
523
L
S
HD12
ILE
V
46
R
-
CD2
LEU
A
523
L
S
HB2
SER
V
44
R
-
N
ASP
A
524
L
S
CD1
ILE
V
46
R
-
N
ASP
A
524
L
S
HG13
ILE
V
46
R
-
N
ASP
A
524
L
S
HD11
ILE
V
46
R
-
N
ASP
A
524
L
S
HD12
ILE
V
46
R
-
CA
ASP
A
524
L
S
CD1
ILE
V
46
R
-
CA
ASP
A
524
L
S
HD11
ILE
V
46
R
-
CA
ASP
A
524
L
S
HD12
ILE
V
46
R
-
C
ASP
A
524
L
S
CG1
ILE
V
46
R
-
C
ASP
A
524
L
S
CD1
ILE
V
46
R
-
C
ASP
A
524
L
S
HG13
ILE
V
46
R
-
C
ASP
A
524
L
S
HD11
ILE
V
46
R
-
C
ASP
A
524
L
S
HD12
ILE
V
46
R
-
C
ASP
A
524
L
S
HD13
ILE
V
46
R
-
CB
ASP
A
524
L
S
HD12
ILE
V
46
R
-
O
ASP
A
524
L
S
CB
ILE
V
46
R
-
O
ASP
A
524
L
S
CG1
ILE
V
46
R
-
O
ASP
A
524
L
S
CG2
ILE
V
46
R
-
O
ASP
A
524
L
S
CD1
ILE
V
46
R
-
O
ASP
A
524
L
S
HB
ILE
V
46
R
-
O
ASP
A
524
L
S
HG12
ILE
V
46
R
-
O
ASP
A
524
L
S
HG13
ILE
V
46
R
-
O
ASP
A
524
L
S
HG21
ILE
V
46
R
-
O
ASP
A
524
L
S
HD11
ILE
V
46
R
-
O
ASP
A
524
L
S
HD12
ILE
V
46
R
-
O
ASP
A
524
L
S
HD13
ILE
V
46
R
-
N
LEU
A
525
L
S
CD1
ILE
V
46
R
-
N
LEU
A
525
L
S
HD11
ILE
V
46
R
-
N
LEU
A
525
L
S
HD12
ILE
V
46
R
-
N
LEU
A
525
L
S
HD13
ILE
V
46
R
-
CA
LEU
A
525
L
S
CD1
ILE
V
46
R
-
CA
LEU
A
525
L
S
HD11
ILE
V
46
R
-
CA
LEU
A
525
L
S
HD12
ILE
V
46
R
-
CA
LEU
A
525
L
S
HD13
ILE
V
46
R
-
C
LEU
A
525
L
S
CD1
ILE
V
46
R
-
C
LEU
A
525
L
S
HD12
ILE
V
46
R
-
C
LEU
A
525
L
S
HD13
ILE
V
46
R
-
C
LEU
A
525
L
S
OE1
GLU
V
53
R
-
C
LEU
A
525
L
S
OE2
GLU
V
53
R
-
CD2
LEU
A
525
L
S
HD11
ILE
V
46
R
-
CD2
LEU
A
525
L
S
HE1
HIS
V
55
R
-
N
THR
A
526
L
S
HG21
ILE
V
46
R
-
N
THR
A
526
L
S
HD13
ILE
V
46
R
-
N
THR
A
526
L
S
CD
GLU
V
53
R
-
N
THR
A
526
L
S
OE1
GLU
V
53
R
-
N
THR
A
526
L
S
OE2
GLU
V
53
R
-
N
THR
A
526
L
S
HE2
HIS
V
55
R
-
CA
THR
A
526
L
S
CD
GLU
V
53
R
-
CA
THR
A
526
L
S
OE1
GLU
V
53
R
-
CA
THR
A
526
L
S
OE2
GLU
V
53
R
-
C
THR
A
526
L
S
CD
GLU
V
53
R
-
C
THR
A
526
L
S
OE1
GLU
V
53
R
-
C
THR
A
526
L
S
OE2
GLU
V
53
R
-
CB
THR
A
526
L
S
HG21
ILE
V
46
R
-
CB
THR
A
526
L
S
CB
GLU
V
53
R
-
CB
THR
A
526
L
S
CG
GLU
V
53
R
-
CB
THR
A
526
L
S
CD
GLU
V
53
R
-
CB
THR
A
526
L
S
OE1
GLU
V
53
R
-
CB
THR
A
526
L
S
OE2
GLU
V
53
R
-
CB
THR
A
526
L
S
HB2
GLU
V
53
R
-
CB
THR
A
526
L
S
HB3
GLU
V
53
R
-
CB
THR
A
526
L
S
HG2
GLU
V
53
R
-
CB
THR
A
526
L
S
HG3
GLU
V
53
R
-
O
THR
A
526
L
-
HG2
PRO
V
2
R
-
O
THR
A
526
L
S
CD
GLU
V
53
R
-
O
THR
A
526
L
S
OE1
GLU
V
53
R
-
O
THR
A
526
L
S
OE2
GLU
V
53
R
-
CG2
THR
A
526
L
-
CG
PRO
V
2
R
-
CG2
THR
A
526
L
-
HG2
PRO
V
2
R
-
CG2
THR
A
526
L
-
HG3
PRO
V
2
R
-
CG2
THR
A
526
L
S
CB
GLU
V
53
R
-
CG2
THR
A
526
L
S
CG
GLU
V
53
R
-
CG2
THR
A
526
L
S
CD
GLU
V
53
R
-
CG2
THR
A
526
L
S
OE1
GLU
V
53
R
-
CG2
THR
A
526
L
S
OE2
GLU
V
53
R
-
CG2
THR
A
526
L
S
HB2
GLU
V
53
R
-
CG2
THR
A
526
L
S
HB3
GLU
V
53
R
-
CG2
THR
A
526
L
S
HG3
GLU
V
53
R
-
OG1
THR
A
526
L
S
CG2
ILE
V
46
R
-
OG1
THR
A
526
L
S
HG21
ILE
V
46
R
-
OG1
THR
A
526
L
S
HG22
ILE
V
46
R
-
OG1
THR
A
526
L
S
HG23
ILE
V
46
R
-
OG1
THR
A
526
L
S
HD13
ILE
V
46
R
-
OG1
THR
A
526
L
S
CB
GLU
V
53
R
-
OG1
THR
A
526
L
S
CG
GLU
V
53
R
-
OG1
THR
A
526
L
S
CD
GLU
V
53
R
-
OG1
THR
A
526
L
S
OE1
GLU
V
53
R
-
OG1
THR
A
526
L
S
OE2
GLU
V
53
R
-
OG1
THR
A
526
L
S
HB2
GLU
V
53
R
-
OG1
THR
A
526
L
S
HG2
GLU
V
53
R
-
OG1
THR
A
526
L
S
HG3
GLU
V
53
R
-
N
PRO
A
528
L
-
HD3
PRO
V
2
R
-
CB
PRO
A
528
L
-
HA
MET
V
1
R
-
CB
PRO
A
528
L
-
HG2
MET
V
1
R
-
CB
PRO
A
528
L
-
HD2
PRO
V
2
R
-
CB
PRO
A
528
L
-
HD3
PRO
V
2
R
-
CG
PRO
A
528
L
-
CG
MET
V
1
R
-
CG
PRO
A
528
L
-
HA
MET
V
1
R
-
CG
PRO
A
528
L
-
HG2
MET
V
1
R
-
CG
PRO
A
528
L
-
HE2
MET
V
1
R
-
CG
PRO
A
528
L
-
HD3
PRO
V
2
R
-
CD
PRO
A
528
L
-
HG2
MET
V
1
R
-
CD
PRO
A
528
L
-
CD
PRO
V
2
R
-
CD
PRO
A
528
L
-
HD3
PRO
V
2
R
-
CB
GLN
A
531
L
-
HE2
MET
V
1
R
-
CG
GLN
A
531
L
-
HE2
MET
V
1
R
-
CD
GLN
A
531
L
-
HE2
MET
V
1
R
-
NE2
GLN
A
531
L
-
HE2
MET
V
1
R
-
OE1
GLN
A
531
L
-
HE2
MET
V
1
R
-
CG
HIS
A
555
L
S
OH
TYR
V
6
R
-
CG
HIS
A
555
L
S
HH
TYR
V
6
R
-
CD2
HIS
A
555
L
S
OH
TYR
V
6
R
-
CD2
HIS
A
555
L
S
HH
TYR
V
6
R
-
ND1
HIS
A
555
L
S
OH
TYR
V
6
R
-
ND1
HIS
A
555
L
S
HH
TYR
V
6
R
-
CE1
HIS
A
555
L
S
CE2
TYR
V
6
R
-
CE1
HIS
A
555
L
S
OH
TYR
V
6
R
-
CE1
HIS
A
555
L
S
CZ
TYR
V
6
R
-
CE1
HIS
A
555
L
S
HE2
TYR
V
6
R
-
CE1
HIS
A
555
L
S
HH
TYR
V
6
R
-
NE2
HIS
A
555
L
S
CE2
TYR
V
6
R
-
NE2
HIS
A
555
L
S
OH
TYR
V
6
R
-
NE2
HIS
A
555
L
S
CZ
TYR
V
6
R
-
NE2
HIS
A
555
L
S
HE2
TYR
V
6
R
-
NE2
HIS
A
555
L
S
HH
TYR
V
6