A1IGU5_Q13501.1
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
320
L
-
PRO
V
208
R
H
TYR
A
320
L
-
ARG
V
209
R
H
LEU
A
323
L
-
ARG
V
209
R
H
MET
A
443
L
-
PRO
V
210
R
H
MET
A
443
L
-
PRO
V
211
R
H
MET
A
443
L
-
ARG
V
212
R
-
LEU
A
446
L
-
PRO
V
210
R
-
LEU
A
446
L
-
PRO
V
211
R
-
HIS
A
448
L
-
PRO
V
211
R
-
HIS
A
449
L
-
PRO
V
211
R
-
HIS
A
449
L
-
ARG
V
212
R
-
HIS
A
449
L
-
ALA
V
213
R
-
VAL
A
451
L
-
ARG
V
212
R
-
VAL
A
451
L
-
ALA
V
213
R
-
PRO
A
452
L
-
ALA
V
213
R
-
PRO
A
452
L
-
GLY
V
214
R
H
GLU
A
453
L
-
ALA
V
213
R
H
GLU
A
453
L
-
GLY
V
214
R
H
PHE
A
456
L
-
PRO
V
210
R
H
PHE
A
456
L
-
PRO
V
211
R
H
PHE
A
456
L
-
ARG
V
212
R
H
SER
A
468
L
-
GLY
V
201
R
H
SER
A
468
L
-
PRO
V
203
R
H
LEU
A
471
L
-
PRO
V
202
R
H
LEU
A
471
L
-
PRO
V
203
R
H
LEU
A
471
L
-
GLY
V
204
R
H
ARG
A
472
L
-
MET
V
200
R
H
ARG
A
472
L
-
GLY
V
201
R
H
GLN
A
475
L
-
GLY
V
201
R
H
GLN
A
475
L
-
PRO
V
202
R
H
GLU
A
476
L
-
GLU
V
199
R
H
GLU
A
476
L
-
MET
V
200
R
H
LEU
A
502
L
-
ASP
V
71
R
H
PRO
A
507
L
-
GLU
V
70
R
H
GLY
A
508
L
-
HIS
V
192
R
S
TYR
A
511
L
-
HIS
V
192
R
-
SER
A
518
L
-
PRO
V
202
R
-
GLY
A
521
L
-
LEU
V
440
R
-
THR
A
522
L
-
PRO
V
439
R
-
THR
A
522
L
-
LEU
V
440
R
-
LEU
A
523
L
-
PRO
V
439
R
-
LEU
A
523
L
-
LEU
V
440
R
-
ASP
A
524
L
-
LEU
V
440
R
-
LEU
A
525
L
-
LEU
V
440
R
-
THR
A
526
L
-
LEU
V
440
R
S
LEU
A
536
L
-
HIS
V
190
R
S
GLN
A
537
L
-
HIS
V
190
R
-
ASN
A
538
L
-
GLY
V
191
R
-
ASN
A
538
L
-
HIS
V
192
R
-
ASN
A
538
L
-
PHE
V
193
R
-
ASN
A
538
L
-
GLY
V
194
R
-
LYS
A
539
L
-
PHE
V
193
R
-
SER
A
545
L
-
GLY
V
194
R
-
SER
A
545
L
-
TRP
V
195
R
-
GLY
A
546
L
-
PRO
V
196
R
S
TRP
A
548
L
-
PHE
V
193
R
S
TRP
A
548
L
-
GLY
V
194
R
S
TRP
A
548
L
-
TRP
V
195
R
-
HIS
A
555
L
-
PRO
V
437
R
-
HIS
A
555
L
-
PRO
V
438
R
S
ARG
A
556
L
-
PRO
V
437
R
H
ALA
A
561
L
-
TRP
V
195
R
H
GLY
A
562
L
-
PRO
V
196
R
S
LEU
A
564
L
-
TRP
V
195
R
-
VAL
A
569
L
-
GLU
V
70
R
H
GLU
A
575
L
-
GLU
V
70
R
-
ALA
A
596
L
-
GLU
V
389
R
-
LEU
A
597
L
-
PRO
V
388
R
-
LEU
A
597
L
-
GLU
V
389
R
-
VAL
A
598
L
-
GLU
V
389
R
S
ILE
A
631
L
-
GLN
V
371
R
S
LEU
A
632
L
-
GLN
V
371
R
S
GLU
A
647
L
-
ASP
V
368
R
-
GLY
A
650
L
-
LEU
V
367
R
S
ARG
A
652
L
-
ASP
V
368
R
S
ARG
A
652
L
-
SER
V
370
A1IGU5_Q13501.1
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
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CB
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CG
TYR
A
320
L
-
CB
PRO
V
208
R
H
CG
TYR
A
320
L
-
CG
PRO
V
208
R
H
CG
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CG
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CG
TYR
A
320
L
-
CB
ARG
V
209
R
H
CG
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CG
TYR
A
320
L
-
HD2
ARG
V
209
R
H
CD1
TYR
A
320
L
-
CB
PRO
V
208
R
H
CD1
TYR
A
320
L
-
CG
PRO
V
208
R
H
CD1
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CD1
TYR
A
320
L
-
HB3
PRO
V
208
R
H
CD1
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CD1
TYR
A
320
L
-
HG3
PRO
V
208
R
H
CD1
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CD2
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CD2
TYR
A
320
L
-
CB
ARG
V
209
R
H
CD2
TYR
A
320
L
-
CG
ARG
V
209
R
H
CD2
TYR
A
320
L
-
CD
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HB3
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HG3
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HD2
ARG
V
209
R
H
CD2
TYR
A
320
L
-
HD3
ARG
V
209
R
H
CE1
TYR
A
320
L
-
CB
PRO
V
208
R
H
CE1
TYR
A
320
L
-
CG
PRO
V
208
R
H
CE1
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CE1
TYR
A
320
L
-
HB3
PRO
V
208
R
H
CE1
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CE1
TYR
A
320
L
-
HG3
PRO
V
208
R
H
CE2
TYR
A
320
L
-
CB
PRO
V
208
R
H
CE2
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CE2
TYR
A
320
L
-
CB
ARG
V
209
R
H
CE2
TYR
A
320
L
-
CG
ARG
V
209
R
H
CE2
TYR
A
320
L
-
CD
ARG
V
209
R
H
CE2
TYR
A
320
L
-
NE
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HB3
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HG3
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HD2
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HD3
ARG
V
209
R
H
CE2
TYR
A
320
L
-
HE
ARG
V
209
R
H
OH
TYR
A
320
L
-
HB2
PRO
V
208
R
H
OH
TYR
A
320
L
-
HB3
PRO
V
208
R
H
OH
TYR
A
320
L
-
HG3
ARG
V
209
R
H
OH
TYR
A
320
L
-
HD2
ARG
V
209
R
H
OH
TYR
A
320
L
-
HE
ARG
V
209
R
H
CZ
TYR
A
320
L
-
CB
PRO
V
208
R
H
CZ
TYR
A
320
L
-
HB2
PRO
V
208
R
H
CZ
TYR
A
320
L
-
HB3
PRO
V
208
R
H
CZ
TYR
A
320
L
-
HG2
PRO
V
208
R
H
CZ
TYR
A
320
L
-
CD
ARG
V
209
R
H
CZ
TYR
A
320
L
-
HB2
ARG
V
209
R
H
CZ
TYR
A
320
L
-
HG3
ARG
V
209
R
H
CZ
TYR
A
320
L
-
HD2
ARG
V
209
R
H
CD2
LEU
A
323
L
-
HH11
ARG
V
209
R
H
CA
MET
A
443
L
-
HB3
PRO
V
211
R
H
C
MET
A
443
L
-
HB3
PRO
V
211
R
H
C
MET
A
443
L
-
HG3
PRO
V
211
R
H
CB
MET
A
443
L
-
CB
PRO
V
211
R
H
CB
MET
A
443
L
-
HB3
PRO
V
211
R
H
O
MET
A
443
L
-
CB
PRO
V
211
R
H
O
MET
A
443
L
-
CG
PRO
V
211
R
H
O
MET
A
443
L
-
HB2
PRO
V
211
R
H
O
MET
A
443
L
-
HB3
PRO
V
211
R
H
O
MET
A
443
L
-
HG2
PRO
V
211
R
H
O
MET
A
443
L
-
HG3
PRO
V
211
R
H
CG
MET
A
443
L
-
O
PRO
V
210
R
H
CG
MET
A
443
L
-
HB3
PRO
V
211
R
H
SD
MET
A
443
L
-
HA
PRO
V
211
R
H
SD
MET
A
443
L
-
HB3
PRO
V
211
R
H
SD
MET
A
443
L
-
HB2
ARG
V
212
R
H
SD
MET
A
443
L
-
HD3
ARG
V
212
R
H
CE
MET
A
443
L
-
HD3
ARG
V
212
R
-
N
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CA
LEU
A
446
L
-
HG3
PRO
V
211
R
-
C
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CB
LEU
A
446
L
-
CG
PRO
V
211
R
-
CB
LEU
A
446
L
-
CD
PRO
V
211
R
-
CB
LEU
A
446
L
-
HG2
PRO
V
211
R
-
CB
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CB
LEU
A
446
L
-
HD2
PRO
V
211
R
-
CB
LEU
A
446
L
-
HD3
PRO
V
211
R
-
O
LEU
A
446
L
-
HG2
PRO
V
211
R
-
O
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CG
LEU
A
446
L
-
O
PRO
V
210
R
-
CG
LEU
A
446
L
-
CG
PRO
V
211
R
-
CG
LEU
A
446
L
-
CD
PRO
V
211
R
-
CG
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CG
LEU
A
446
L
-
HD2
PRO
V
211
R
-
CD1
LEU
A
446
L
-
C
PRO
V
210
R
-
CD1
LEU
A
446
L
-
O
PRO
V
210
R
-
CD1
LEU
A
446
L
-
N
PRO
V
211
R
-
CD1
LEU
A
446
L
-
CB
PRO
V
211
R
-
CD1
LEU
A
446
L
-
CG
PRO
V
211
R
-
CD1
LEU
A
446
L
-
CD
PRO
V
211
R
-
CD1
LEU
A
446
L
-
HB3
PRO
V
211
R
-
CD1
LEU
A
446
L
-
HG3
PRO
V
211
R
-
CD1
LEU
A
446
L
-
HD2
PRO
V
211
R
-
CD2
LEU
A
446
L
-
HD2
PRO
V
211
R
-
N
HIS
A
448
L
-
HG2
PRO
V
211
R
-
N
HIS
A
448
L
-
HD3
PRO
V
211
R
-
CA
HIS
A
448
L
-
HG2
PRO
V
211
R
-
CA
HIS
A
448
L
-
HD3
PRO
V
211
R
-
C
HIS
A
448
L
-
O
PRO
V
211
R
-
C
HIS
A
448
L
-
CG
PRO
V
211
R
-
C
HIS
A
448
L
-
HG2
PRO
V
211
R
-
C
HIS
A
448
L
-
HD3
PRO
V
211
R
-
CB
HIS
A
448
L
-
O
PRO
V
211
R
-
CB
HIS
A
448
L
-
CD
PRO
V
211
R
-
CB
HIS
A
448
L
-
HG2
PRO
V
211
R
-
CB
HIS
A
448
L
-
HD3
PRO
V
211
R
-
O
HIS
A
448
L
-
O
PRO
V
211
R
-
O
HIS
A
448
L
-
HG2
PRO
V
211
R
-
O
HIS
A
448
L
-
HD3
PRO
V
211
R
-
CG
HIS
A
448
L
-
HD3
PRO
V
211
R
-
CD2
HIS
A
448
L
-
HD3
PRO
V
211
R
-
N
HIS
A
449
L
-
CG
PRO
V
211
R
-
N
HIS
A
449
L
-
CD
PRO
V
211
R
-
N
HIS
A
449
L
-
HB2
PRO
V
211
R
-
N
HIS
A
449
L
-
HG2
PRO
V
211
R
-
N
HIS
A
449
L
-
HG3
PRO
V
211
R
-
N
HIS
A
449
L
-
HD3
PRO
V
211
R
-
CA
HIS
A
449
L
-
CB
PRO
V
211
R
-
CA
HIS
A
449
L
-
CG
PRO
V
211
R
-
CA
HIS
A
449
L
-
HB2
PRO
V
211
R
-
CA
HIS
A
449
L
-
HG2
PRO
V
211
R
-
CA
HIS
A
449
L
-
HG3
PRO
V
211
R
-
CA
HIS
A
449
L
-
O
ARG
V
212
R
-
C
HIS
A
449
L
-
HG2
PRO
V
211
R
-
C
HIS
A
449
L
-
O
ARG
V
212
R
-
CB
HIS
A
449
L
-
CB
PRO
V
211
R
-
CB
HIS
A
449
L
-
CG
PRO
V
211
R
-
CB
HIS
A
449
L
-
HB2
PRO
V
211
R
-
CB
HIS
A
449
L
-
HG2
PRO
V
211
R
-
CB
HIS
A
449
L
-
HG3
PRO
V
211
R
-
O
HIS
A
449
L
-
C
ARG
V
212
R
-
O
HIS
A
449
L
-
O
ARG
V
212
R
-
O
HIS
A
449
L
-
HB3
ALA
V
213
R
-
CG
HIS
A
449
L
-
HB2
PRO
V
211
R
-
CG
HIS
A
449
L
-
HG2
PRO
V
211
R
-
CD2
HIS
A
449
L
-
CB
PRO
V
211
R
-
CD2
HIS
A
449
L
-
HB2
PRO
V
211
R
-
CD2
HIS
A
449
L
-
HB3
ARG
V
212
R
-
C
VAL
A
451
L
-
O
ALA
V
213
R
-
O
VAL
A
451
L
-
O
ARG
V
212
R
-
O
VAL
A
451
L
-
O
ALA
V
213
R
-
N
PRO
A
452
L
-
O
ALA
V
213
R
-
CA
PRO
A
452
L
-
C
ALA
V
213
R
-
CA
PRO
A
452
L
-
O
ALA
V
213
R
-
CA
PRO
A
452
L
-
O
GLY
V
214
R
-
C
PRO
A
452
L
-
O
ALA
V
213
R
-
CB
PRO
A
452
L
-
O
ALA
V
213
R
-
CB
PRO
A
452
L
-
O
GLY
V
214
R
H
N
GLU
A
453
L
-
C
ALA
V
213
R
H
N
GLU
A
453
L
-
O
ALA
V
213
R
H
N
GLU
A
453
L
-
H
ALA
V
213
R
H
N
GLU
A
453
L
-
O
GLY
V
214
R
H
CA
GLU
A
453
L
-
H
ALA
V
213
R
H
CB
GLU
A
453
L
-
H
ALA
V
213
R
H
CD1
PHE
A
456
L
-
H
ARG
V
212
R
H
CD2
PHE
A
456
L
-
O
PRO
V
211
R
H
CE1
PHE
A
456
L
-
HB2
PRO
V
210
R
H
CE1
PHE
A
456
L
-
HB3
PRO
V
210
R
H
CE2
PHE
A
456
L
-
HD3
PRO
V
211
R
H
CZ
PHE
A
456
L
-
HA
PRO
V
210
R
H
CZ
PHE
A
456
L
-
HB2
PRO
V
210
R
H
CZ
PHE
A
456
L
-
HB3
PRO
V
210
R
H
N
SER
A
468
L
-
HG3
PRO
V
203
R
H
CA
SER
A
468
L
-
CG
PRO
V
203
R
H
CA
SER
A
468
L
-
HB2
PRO
V
203
R
H
CA
SER
A
468
L
-
HG3
PRO
V
203
R
H
CB
SER
A
468
L
-
CG
PRO
V
203
R
H
CB
SER
A
468
L
-
HG3
PRO
V
203
R
H
CB
SER
A
468
L
-
HD2
PRO
V
203
R
H
OG
SER
A
468
L
-
O
GLY
V
201
R
H
OG
SER
A
468
L
-
CG
PRO
V
203
R
H
OG
SER
A
468
L
-
CD
PRO
V
203
R
H
OG
SER
A
468
L
-
HG3
PRO
V
203
R
H
OG
SER
A
468
L
-
HD2
PRO
V
203
R
H
CB
LEU
A
471
L
-
O
PRO
V
202
R
H
CB
LEU
A
471
L
-
HB2
PRO
V
203
R
H
CG
LEU
A
471
L
-
O
PRO
V
202
R
H
CG
LEU
A
471
L
-
HA
PRO
V
203
R
H
CG
LEU
A
471
L
-
HB2
PRO
V
203
R
H
CD2
LEU
A
471
L
-
C
PRO
V
202
R
H
CD2
LEU
A
471
L
-
O
PRO
V
202
R
H
CD2
LEU
A
471
L
-
N
PRO
V
203
R
H
CD2
LEU
A
471
L
-
CA
PRO
V
203
R
H
CD2
LEU
A
471
L
-
CB
PRO
V
203
R
H
CD2
LEU
A
471
L
-
HA
PRO
V
203
R
H
CD2
LEU
A
471
L
-
HB2
PRO
V
203
R
H
CD2
LEU
A
471
L
-
HB3
PRO
V
203
R
H
CD2
LEU
A
471
L
-
H
GLY
V
204
R
H
CA
ARG
A
472
L
-
HA3
GLY
V
201
R
H
C
ARG
A
472
L
-
HE1
MET
V
200
R
H
C
ARG
A
472
L
-
HE3
MET
V
200
R
H
CB
ARG
A
472
L
-
HB3
MET
V
200
R
H
CB
ARG
A
472
L
-
HA3
GLY
V
201
R
H
O
ARG
A
472
L
-
SD
MET
V
200
R
H
O
ARG
A
472
L
-
CE
MET
V
200
R
H
O
ARG
A
472
L
-
HE1
MET
V
200
R
H
O
ARG
A
472
L
-
HE3
MET
V
200
R
H
CG
ARG
A
472
L
-
CA
MET
V
200
R
H
CG
ARG
A
472
L
-
C
MET
V
200
R
H
CG
ARG
A
472
L
-
CB
MET
V
200
R
H
CG
ARG
A
472
L
-
CG
MET
V
200
R
H
CG
ARG
A
472
L
-
SD
MET
V
200
R
H
CG
ARG
A
472
L
-
CE
MET
V
200
R
H
CG
ARG
A
472
L
-
HA
MET
V
200
R
H
CG
ARG
A
472
L
-
HB2
MET
V
200
R
H
CG
ARG
A
472
L
-
HB3
MET
V
200
R
H
CG
ARG
A
472
L
-
HG3
MET
V
200
R
H
CG
ARG
A
472
L
-
HE3
MET
V
200
R
H
CG
ARG
A
472
L
-
N
GLY
V
201
R
H
CG
ARG
A
472
L
-
CA
GLY
V
201
R
H
CG
ARG
A
472
L
-
HA3
GLY
V
201
R
H
CD
ARG
A
472
L
-
CA
MET
V
200
R
H
CD
ARG
A
472
L
-
C
MET
V
200
R
H
CD
ARG
A
472
L
-
CB
MET
V
200
R
H
CD
ARG
A
472
L
-
O
MET
V
200
R
H
CD
ARG
A
472
L
-
CG
MET
V
200
R
H
CD
ARG
A
472
L
-
SD
MET
V
200
R
H
CD
ARG
A
472
L
-
HA
MET
V
200
R
H
CD
ARG
A
472
L
-
HB2
MET
V
200
R
H
CD
ARG
A
472
L
-
HB3
MET
V
200
R
H
CD
ARG
A
472
L
-
HG2
MET
V
200
R
H
CD
ARG
A
472
L
-
HG3
MET
V
200
R
H
CD
ARG
A
472
L
-
HE3
MET
V
200
R
H
CD
ARG
A
472
L
-
N
GLY
V
201
R
H
CD
ARG
A
472
L
-
CA
GLY
V
201
R
H
CD
ARG
A
472
L
-
HA3
GLY
V
201
R
H
NE
ARG
A
472
L
-
CA
MET
V
200
R
H
NE
ARG
A
472
L
-
C
MET
V
200
R
H
NE
ARG
A
472
L
-
CB
MET
V
200
R
H
NE
ARG
A
472
L
-
O
MET
V
200
R
H
NE
ARG
A
472
L
-
HA
MET
V
200
R
H
NE
ARG
A
472
L
-
HB2
MET
V
200
R
H
NE
ARG
A
472
L
-
HB3
MET
V
200
R
H
NE
ARG
A
472
L
-
N
GLY
V
201
R
H
NE
ARG
A
472
L
-
CA
GLY
V
201
R
H
NE
ARG
A
472
L
-
C
GLY
V
201
R
H
NE
ARG
A
472
L
-
O
GLY
V
201
R
H
NE
ARG
A
472
L
-
H
GLY
V
201
R
H
NE
ARG
A
472
L
-
HA3
GLY
V
201
R
H
NH1
ARG
A
472
L
-
C
MET
V
200
R
H
NH1
ARG
A
472
L
-
CB
MET
V
200
R
H
NH1
ARG
A
472
L
-
O
MET
V
200
R
H
NH1
ARG
A
472
L
-
HB2
MET
V
200
R
H
NH1
ARG
A
472
L
-
HB3
MET
V
200
R
H
NH2
ARG
A
472
L
-
C
MET
V
200
R
H
NH2
ARG
A
472
L
-
O
MET
V
200
R
H
NH2
ARG
A
472
L
-
N
GLY
V
201
R
H
NH2
ARG
A
472
L
-
O
GLY
V
201
R
H
NH2
ARG
A
472
L
-
H
GLY
V
201
R
H
CZ
ARG
A
472
L
-
C
MET
V
200
R
H
CZ
ARG
A
472
L
-
CB
MET
V
200
R
H
CZ
ARG
A
472
L
-
O
MET
V
200
R
H
CZ
ARG
A
472
L
-
HB2
MET
V
200
R
H
CZ
ARG
A
472
L
-
HB3
MET
V
200
R
H
CZ
ARG
A
472
L
-
N
GLY
V
201
R
H
CZ
ARG
A
472
L
-
O
GLY
V
201
R
H
CZ
ARG
A
472
L
-
H
GLY
V
201
R
H
CD
GLN
A
475
L
-
CD
PRO
V
202
R
H
CD
GLN
A
475
L
-
HD2
PRO
V
202
R
H
CD
GLN
A
475
L
-
HD3
PRO
V
202
R
H
NE2
GLN
A
475
L
-
CG
PRO
V
202
R
H
NE2
GLN
A
475
L
-
CD
PRO
V
202
R
H
NE2
GLN
A
475
L
-
HG2
PRO
V
202
R
H
NE2
GLN
A
475
L
-
HG3
PRO
V
202
R
H
NE2
GLN
A
475
L
-
HD2
PRO
V
202
R
H
NE2
GLN
A
475
L
-
HD3
PRO
V
202
R
H
OE1
GLN
A
475
L
-
CA
GLY
V
201
R
H
OE1
GLN
A
475
L
-
HA2
GLY
V
201
R
H
OE1
GLN
A
475
L
-
HA3
GLY
V
201
R
H
OE1
GLN
A
475
L
-
N
PRO
V
202
R
H
OE1
GLN
A
475
L
-
CD
PRO
V
202
R
H
OE1
GLN
A
475
L
-
HD2
PRO
V
202
R
H
OE1
GLN
A
475
L
-
HD3
PRO
V
202
R
H
N
GLU
A
476
L
-
HE1
MET
V
200
R
H
CA
GLU
A
476
L
-
CE
MET
V
200
R
H
CA
GLU
A
476
L
-
HE1
MET
V
200
R
H
CB
GLU
A
476
L
-
CE
MET
V
200
R
H
CB
GLU
A
476
L
-
HE1
MET
V
200
R
H
CB
GLU
A
476
L
-
HE2
MET
V
200
R
H
CB
GLU
A
476
L
-
HE3
MET
V
200
R
H
CG
GLU
A
476
L
-
CG
MET
V
200
R
H
CG
GLU
A
476
L
-
SD
MET
V
200
R
H
CG
GLU
A
476
L
-
CE
MET
V
200
R
H
CG
GLU
A
476
L
-
HG3
MET
V
200
R
H
CG
GLU
A
476
L
-
HE1
MET
V
200
R
H
CG
GLU
A
476
L
-
HE2
MET
V
200
R
H
CG
GLU
A
476
L
-
HE3
MET
V
200
R
H
CD
GLU
A
476
L
-
CG
MET
V
200
R
H
CD
GLU
A
476
L
-
SD
MET
V
200
R
H
CD
GLU
A
476
L
-
CE
MET
V
200
R
H
CD
GLU
A
476
L
-
HG2
MET
V
200
R
H
CD
GLU
A
476
L
-
HG3
MET
V
200
R
H
CD
GLU
A
476
L
-
HE1
MET
V
200
R
H
CD
GLU
A
476
L
-
HE2
MET
V
200
R
H
CD
GLU
A
476
L
-
HE3
MET
V
200
R
H
OE1
GLU
A
476
L
-
OE1
GLU
V
199
R
H
OE1
GLU
A
476
L
-
CB
MET
V
200
R
H
OE1
GLU
A
476
L
-
CG
MET
V
200
R
H
OE1
GLU
A
476
L
-
SD
MET
V
200
R
H
OE1
GLU
A
476
L
-
CE
MET
V
200
R
H
OE1
GLU
A
476
L
-
HB3
MET
V
200
R
H
OE1
GLU
A
476
L
-
HG2
MET
V
200
R
H
OE1
GLU
A
476
L
-
HG3
MET
V
200
R
H
OE1
GLU
A
476
L
-
HE1
MET
V
200
R
H
OE1
GLU
A
476
L
-
HE2
MET
V
200
R
H
OE1
GLU
A
476
L
-
HE3
MET
V
200
R
H
OE2
GLU
A
476
L
-
CE
MET
V
200
R
H
OE2
GLU
A
476
L
-
HG3
MET
V
200
R
H
OE2
GLU
A
476
L
-
HE1
MET
V
200
R
H
OE2
GLU
A
476
L
-
HE2
MET
V
200
R
H
OE2
GLU
A
476
L
-
HE3
MET
V
200
R
H
CB
LEU
A
502
L
-
OD2
ASP
V
71
R
H
CD1
LEU
A
502
L
-
OD1
ASP
V
71
R
H
CB
PRO
A
507
L
-
OE1
GLU
V
70
R
H
CG
PRO
A
507
L
-
OE1
GLU
V
70
R
H
CD
PRO
A
507
L
-
OE1
GLU
V
70
R
H
O
GLY
A
508
L
-
HE2
HIS
V
192
R
S
CE2
TYR
A
511
L
-
HE2
HIS
V
192
R
S
OH
TYR
A
511
L
-
CE1
HIS
V
192
R
S
OH
TYR
A
511
L
-
NE2
HIS
V
192
R
S
OH
TYR
A
511
L
-
HE1
HIS
V
192
R
S
OH
TYR
A
511
L
-
HE2
HIS
V
192
R
S
CZ
TYR
A
511
L
-
NE2
HIS
V
192
R
S
CZ
TYR
A
511
L
-
HE1
HIS
V
192
R
S
CZ
TYR
A
511
L
-
HE2
HIS
V
192
R
-
CB
SER
A
518
L
-
HG3
PRO
V
202
R
-
OG
SER
A
518
L
-
HG3
PRO
V
202
R
-
C
GLY
A
521
L
-
O
LEU
V
440
R
-
O
GLY
A
521
L
-
C
LEU
V
440
R
-
O
GLY
A
521
L
-
O
LEU
V
440
R
-
CA
THR
A
522
L
-
O
LEU
V
440
R
-
C
THR
A
522
L
-
O
LEU
V
440
R
-
CG2
THR
A
522
L
-
HB2
PRO
V
439
R
-
CG2
THR
A
522
L
-
HB3
PRO
V
439
R
-
N
LEU
A
523
L
-
HA
PRO
V
439
R
-
N
LEU
A
523
L
-
O
LEU
V
440
R
-
N
LEU
A
523
L
-
H
LEU
V
440
R
-
CA
LEU
A
523
L
-
HA
PRO
V
439
R
-
CA
LEU
A
523
L
-
H
LEU
V
440
R
-
C
LEU
A
523
L
-
HB2
LEU
V
440
R
-
CG
LEU
A
523
L
-
HA
PRO
V
439
R
-
CG
LEU
A
523
L
-
HB3
PRO
V
439
R
-
CD2
LEU
A
523
L
-
HA
PRO
V
439
R
-
CD2
LEU
A
523
L
-
HB3
PRO
V
439
R
-
N
ASP
A
524
L
-
HB2
LEU
V
440
R
-
CA
ASP
A
524
L
-
HB2
LEU
V
440
R
-
C
ASP
A
524
L
-
CB
LEU
V
440
R
-
C
ASP
A
524
L
-
CD1
LEU
V
440
R
-
C
ASP
A
524
L
-
HB2
LEU
V
440
R
-
C
ASP
A
524
L
-
HB3
LEU
V
440
R
-
C
ASP
A
524
L
-
HD11
LEU
V
440
R
-
C
ASP
A
524
L
-
HD13
LEU
V
440
R
-
O
ASP
A
524
L
-
CA
LEU
V
440
R
-
O
ASP
A
524
L
-
CB
LEU
V
440
R
-
O
ASP
A
524
L
-
CG
LEU
V
440
R
-
O
ASP
A
524
L
-
CD1
LEU
V
440
R
-
O
ASP
A
524
L
-
H
LEU
V
440
R
-
O
ASP
A
524
L
-
HB2
LEU
V
440
R
-
O
ASP
A
524
L
-
HB3
LEU
V
440
R
-
O
ASP
A
524
L
-
HG
LEU
V
440
R
-
O
ASP
A
524
L
-
HD11
LEU
V
440
R
-
O
ASP
A
524
L
-
HD12
LEU
V
440
R
-
O
ASP
A
524
L
-
HD13
LEU
V
440
R
-
N
LEU
A
525
L
-
CD1
LEU
V
440
R
-
N
LEU
A
525
L
-
HB2
LEU
V
440
R
-
N
LEU
A
525
L
-
HD11
LEU
V
440
R
-
N
LEU
A
525
L
-
HD13
LEU
V
440
R
-
CA
LEU
A
525
L
-
CD1
LEU
V
440
R
-
CA
LEU
A
525
L
-
HD11
LEU
V
440
R
-
CA
LEU
A
525
L
-
HD12
LEU
V
440
R
-
CA
LEU
A
525
L
-
HD13
LEU
V
440
R
-
C
LEU
A
525
L
-
CD1
LEU
V
440
R
-
C
LEU
A
525
L
-
HD11
LEU
V
440
R
-
C
LEU
A
525
L
-
HD12
LEU
V
440
R
-
C
LEU
A
525
L
-
HD13
LEU
V
440
R
-
CB
LEU
A
525
L
-
HD11
LEU
V
440
R
-
O
LEU
A
525
L
-
HD13
LEU
V
440
R
-
CG
LEU
A
525
L
-
HD11
LEU
V
440
R
-
CD2
LEU
A
525
L
-
CD1
LEU
V
440
R
-
CD2
LEU
A
525
L
-
HD11
LEU
V
440
R
-
CD2
LEU
A
525
L
-
HD12
LEU
V
440
R
-
N
THR
A
526
L
-
CD1
LEU
V
440
R
-
N
THR
A
526
L
-
HD11
LEU
V
440
R
-
N
THR
A
526
L
-
HD12
LEU
V
440
R
-
N
THR
A
526
L
-
HD13
LEU
V
440
R
-
CA
THR
A
526
L
-
HD13
LEU
V
440
R
-
CB
THR
A
526
L
-
HD13
LEU
V
440
R
-
OG1
THR
A
526
L
-
HD13
LEU
V
440
R
-
OG1
THR
A
526
L
-
HD23
LEU
V
440
R
S
C
LEU
A
536
L
-
O
HIS
V
190
R
S
O
LEU
A
536
L
-
C
HIS
V
190
R
S
O
LEU
A
536
L
-
O
HIS
V
190
R
S
CA
GLN
A
537
L
-
O
HIS
V
190
R
S
CG
GLN
A
537
L
-
CB
HIS
V
190
R
S
CG
GLN
A
537
L
-
HB2
HIS
V
190
R
S
CG
GLN
A
537
L
-
HB3
HIS
V
190
R
S
CD
GLN
A
537
L
-
HB2
HIS
V
190
R
S
NE2
GLN
A
537
L
-
HB2
HIS
V
190
R
S
NE2
GLN
A
537
L
-
HD2
HIS
V
190
R
-
N
ASN
A
538
L
-
H
HIS
V
192
R
-
CB
ASN
A
538
L
-
N
HIS
V
192
R
-
CB
ASN
A
538
L
-
CA
HIS
V
192
R
-
CB
ASN
A
538
L
-
C
HIS
V
192
R
-
CB
ASN
A
538
L
-
H
HIS
V
192
R
-
CB
ASN
A
538
L
-
HA
HIS
V
192
R
-
CB
ASN
A
538
L
-
N
PHE
V
193
R
-
CB
ASN
A
538
L
-
H
PHE
V
193
R
-
O
ASN
A
538
L
-
H
GLY
V
194
R
-
CG
ASN
A
538
L
-
N
HIS
V
192
R
-
CG
ASN
A
538
L
-
CA
HIS
V
192
R
-
CG
ASN
A
538
L
-
C
HIS
V
192
R
-
CG
ASN
A
538
L
-
O
HIS
V
192
R
-
CG
ASN
A
538
L
-
H
HIS
V
192
R
-
CG
ASN
A
538
L
-
HA
HIS
V
192
R
-
CG
ASN
A
538
L
-
N
PHE
V
193
R
-
CG
ASN
A
538
L
-
CA
PHE
V
193
R
-
CG
ASN
A
538
L
-
C
PHE
V
193
R
-
CG
ASN
A
538
L
-
O
PHE
V
193
R
-
CG
ASN
A
538
L
-
H
PHE
V
193
R
-
ND2
ASN
A
538
L
-
C
GLY
V
191
R
-
ND2
ASN
A
538
L
-
N
HIS
V
192
R
-
ND2
ASN
A
538
L
-
CA
HIS
V
192
R
-
ND2
ASN
A
538
L
-
C
HIS
V
192
R
-
ND2
ASN
A
538
L
-
CB
HIS
V
192
R
-
ND2
ASN
A
538
L
-
O
HIS
V
192
R
-
ND2
ASN
A
538
L
-
H
HIS
V
192
R
-
ND2
ASN
A
538
L
-
HA
HIS
V
192
R
-
ND2
ASN
A
538
L
-
HB3
HIS
V
192
R
-
ND2
ASN
A
538
L
-
N
PHE
V
193
R
-
ND2
ASN
A
538
L
-
CA
PHE
V
193
R
-
ND2
ASN
A
538
L
-
C
PHE
V
193
R
-
ND2
ASN
A
538
L
-
CB
PHE
V
193
R
-
ND2
ASN
A
538
L
-
O
PHE
V
193
R
-
ND2
ASN
A
538
L
-
H
PHE
V
193
R
-
ND2
ASN
A
538
L
-
HA
PHE
V
193
R
-
ND2
ASN
A
538
L
-
HB2
PHE
V
193
R
-
OD1
ASN
A
538
L
-
N
HIS
V
192
R
-
OD1
ASN
A
538
L
-
C
HIS
V
192
R
-
OD1
ASN
A
538
L
-
O
HIS
V
192
R
-
OD1
ASN
A
538
L
-
H
HIS
V
192
R
-
OD1
ASN
A
538
L
-
O
PHE
V
193
R
-
CE
LYS
A
539
L
-
O
PHE
V
193
R
-
C
SER
A
545
L
-
H
TRP
V
195
R
-
CB
SER
A
545
L
-
H
GLY
V
194
R
-
CB
SER
A
545
L
-
H
TRP
V
195
R
-
O
SER
A
545
L
-
N
TRP
V
195
R
-
O
SER
A
545
L
-
H
TRP
V
195
R
-
O
SER
A
545
L
-
HA
TRP
V
195
R
-
OG
SER
A
545
L
-
O
TRP
V
195
R
-
CA
GLY
A
546
L
-
HA
PRO
V
196
R
S
CE2
TRP
A
548
L
-
HA2
GLY
V
194
R
S
CE2
TRP
A
548
L
-
H
TRP
V
195
R
S
CE2
TRP
A
548
L
-
HD1
TRP
V
195
R
S
NE1
TRP
A
548
L
-
HA2
GLY
V
194
R
S
NE1
TRP
A
548
L
-
H
TRP
V
195
R
S
NE1
TRP
A
548
L
-
HD1
TRP
V
195
R
S
CH2
TRP
A
548
L
-
HA2
GLY
V
194
R
S
CH2
TRP
A
548
L
-
CD1
TRP
V
195
R
S
CH2
TRP
A
548
L
-
NE1
TRP
V
195
R
S
CH2
TRP
A
548
L
-
HD1
TRP
V
195
R
S
CH2
TRP
A
548
L
-
HE1
TRP
V
195
R
S
CZ2
TRP
A
548
L
-
HA
PHE
V
193
R
S
CZ2
TRP
A
548
L
-
CA
GLY
V
194
R
S
CZ2
TRP
A
548
L
-
HA2
GLY
V
194
R
S
CZ2
TRP
A
548
L
-
HA3
GLY
V
194
R
S
CZ2
TRP
A
548
L
-
CD1
TRP
V
195
R
S
CZ2
TRP
A
548
L
-
NE1
TRP
V
195
R
S
CZ2
TRP
A
548
L
-
H
TRP
V
195
R
S
CZ2
TRP
A
548
L
-
HD1
TRP
V
195
R
S
CZ2
TRP
A
548
L
-
HE1
TRP
V
195
R
S
CZ3
TRP
A
548
L
-
NE1
TRP
V
195
R
S
CZ3
TRP
A
548
L
-
HE1
TRP
V
195
R
-
CA
HIS
A
555
L
-
HB2
PRO
V
437
R
-
CA
HIS
A
555
L
-
HG3
PRO
V
437
R
-
C
HIS
A
555
L
-
HG3
PRO
V
437
R
-
CB
HIS
A
555
L
-
CB
PRO
V
437
R
-
CB
HIS
A
555
L
-
HB2
PRO
V
437
R
-
CB
HIS
A
555
L
-
HB3
PRO
V
437
R
-
CB
HIS
A
555
L
-
HG3
PRO
V
437
R
-
CG
HIS
A
555
L
-
CB
PRO
V
437
R
-
CG
HIS
A
555
L
-
HB2
PRO
V
437
R
-
CG
HIS
A
555
L
-
HB3
PRO
V
437
R
-
CD2
HIS
A
555
L
-
HB2
PRO
V
437
R
-
ND1
HIS
A
555
L
-
CA
PRO
V
437
R
-
ND1
HIS
A
555
L
-
CB
PRO
V
437
R
-
ND1
HIS
A
555
L
-
HA
PRO
V
437
R
-
ND1
HIS
A
555
L
-
HB2
PRO
V
437
R
-
ND1
HIS
A
555
L
-
HB3
PRO
V
437
R
-
ND1
HIS
A
555
L
-
HD3
PRO
V
438
R
-
CE1
HIS
A
555
L
-
HA
PRO
V
437
R
-
CE1
HIS
A
555
L
-
HB2
PRO
V
437
R
-
CE1
HIS
A
555
L
-
HD3
PRO
V
438
R
S
N
ARG
A
556
L
-
CG
PRO
V
437
R
S
N
ARG
A
556
L
-
HG3
PRO
V
437
R
S
CA
ARG
A
556
L
-
HG3
PRO
V
437
R
S
C
ARG
A
556
L
-
HG3
PRO
V
437
R
S
CB
ARG
A
556
L
-
HG3
PRO
V
437
R
S
O
ARG
A
556
L
-
CG
PRO
V
437
R
S
O
ARG
A
556
L
-
HG2
PRO
V
437
R
S
O
ARG
A
556
L
-
HG3
PRO
V
437
R
H
CB
ALA
A
561
L
-
CD1
TRP
V
195
R
H
CB
ALA
A
561
L
-
H
TRP
V
195
R
H
CB
ALA
A
561
L
-
HA
TRP
V
195
R
H
CB
ALA
A
561
L
-
HD1
TRP
V
195
R
H
O
ALA
A
561
L
-
NE1
TRP
V
195
R
H
O
ALA
A
561
L
-
HE1
TRP
V
195
R
H
N
GLY
A
562
L
-
HB3
PRO
V
196
R
H
CA
GLY
A
562
L
-
HB3
PRO
V
196
R
S
O
LEU
A
564
L
-
HZ2
TRP
V
195
R
-
CB
VAL
A
569
L
-
OE2
GLU
V
70
R
-
CG1
VAL
A
569
L
-
OE2
GLU
V
70
R
-
CG2
VAL
A
569
L
-
OE2
GLU
V
70
R
H
OE1
GLU
A
575
L
-
O
GLU
V
70
R
-
C
ALA
A
596
L
-
OE1
GLU
V
389
R
-
O
ALA
A
596
L
-
CD
GLU
V
389
R
-
O
ALA
A
596
L
-
OE1
GLU
V
389
R
-
O
ALA
A
596
L
-
OE2
GLU
V
389
R
-
N
LEU
A
597
L
-
OE1
GLU
V
389
R
-
CA
LEU
A
597
L
-
CD
GLU
V
389
R
-
CA
LEU
A
597
L
-
OE1
GLU
V
389
R
-
C
LEU
A
597
L
-
OE1
GLU
V
389
R
-
CB
LEU
A
597
L
-
OE1
GLU
V
389
R
-
CG
LEU
A
597
L
-
HG2
PRO
V
388
R
-
CG
LEU
A
597
L
-
CG
GLU
V
389
R
-
CG
LEU
A
597
L
-
CD
GLU
V
389
R
-
CG
LEU
A
597
L
-
OE1
GLU
V
389
R
-
CG
LEU
A
597
L
-
HG2
GLU
V
389
R
-
CG
LEU
A
597
L
-
HG3
GLU
V
389
R
-
CD1
LEU
A
597
L
-
CG
PRO
V
388
R
-
CD1
LEU
A
597
L
-
HB2
PRO
V
388
R
-
CD1
LEU
A
597
L
-
HG2
PRO
V
388
R
-
CD1
LEU
A
597
L
-
HG3
PRO
V
388
R
-
CD1
LEU
A
597
L
-
OE1
GLU
V
389
R
-
CD1
LEU
A
597
L
-
HG3
GLU
V
389
R
-
N
VAL
A
598
L
-
OE1
GLU
V
389
R
S
O
ILE
A
631
L
-
HE22
GLN
V
371
R
S
CA
LEU
A
632
L
-
HE21
GLN
V
371
R
S
CA
LEU
A
632
L
-
HE22
GLN
V
371
R
S
CB
LEU
A
632
L
-
HE21
GLN
V
371
R
S
O
LEU
A
632
L
-
HE21
GLN
V
371
R
S
CD2
LEU
A
632
L
-
NE2
GLN
V
371
R
S
CD2
LEU
A
632
L
-
HE21
GLN
V
371
R
S
CD2
LEU
A
632
L
-
HE22
GLN
V
371
R
S
CD
GLU
A
647
L
-
OD2
ASP
V
368
R
S
OE1
GLU
A
647
L
-
CG
ASP
V
368
R
S
OE1
GLU
A
647
L
-
OD2
ASP
V
368
R
S
OE2
GLU
A
647
L
-
CG
ASP
V
368
R
S
OE2
GLU
A
647
L
-
OD2
ASP
V
368
R
S
OE2
GLU
A
647
L
-
HB3
ASP
V
368
R
-
N
GLY
A
650
L
-
HD23
LEU
V
367
R
-
CA
GLY
A
650
L
-
HD23
LEU
V
367
R
S
NH1
ARG
A
652
L
-
CB
SER
V
370
R
S
NH1
ARG
A
652
L
-
OG
SER
V
370
R
S
NH1
ARG
A
652
L
-
HB2
SER
V
370
R
S
NH1
ARG
A
652
L
-
HB3
SER
V
370
R
S
NH1
ARG
A
652
L
-
HG
SER
V
370
R
S
NH2
ARG
A
652
L
-
CG
ASP
V
368
R
S
NH2
ARG
A
652
L
-
OD1
ASP
V
368
R
S
NH2
ARG
A
652
L
-
OD2
ASP
V
368
R
S
NH2
ARG
A
652
L
-
CB
SER
V
370
R
S
NH2
ARG
A
652
L
-
OG
SER
V
370
R
S
NH2
ARG
A
652
L
-
H
SER
V
370
R
S
NH2
ARG
A
652
L
-
HB2
SER
V
370
R
S
NH2
ARG
A
652
L
-
HB3
SER
V
370
R
S
NH2
ARG
A
652
L
-
HG
SER
V
370
R
S
CZ
ARG
A
652
L
-
OD2
ASP
V
368
R
S
CZ
ARG
A
652
L
-
CB
SER
V
370
R
S
CZ
ARG
A
652
L
-
OG
SER
V
370
R
S
CZ
ARG
A
652
L
-
HB2
SER
V
370
R
S
CZ
ARG
A
652
L
-
HB3
SER
V
370
R
S
CZ
ARG
A
652
L
-
HG
SER
V
370