A1IGU5_O43586.19
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
-
PHE
A
303
L
H
ASP
V
31
R
-
PHE
A
303
L
H
LYS
V
34
R
H
PRO
A
305
L
H
ARG
V
28
R
-
TYR
A
308
L
H
ARG
V
28
R
-
TYR
A
308
L
H
ASP
V
31
R
-
ASN
A
309
L
-
PHE
V
11
R
-
LEU
A
310
L
H
GLU
V
220
R
-
LEU
A
310
L
H
ARG
V
223
R
-
LEU
A
310
L
H
LEU
V
224
R
-
LEU
A
310
L
H
ARG
V
28
R
-
LEU
A
310
L
H
PHE
V
7
R
-
ASP
A
311
L
-
ALA
V
10
R
-
ASP
A
311
L
-
PHE
V
11
R
-
ASP
A
311
L
-
LEU
V
5
R
-
ASP
A
311
L
H
PHE
V
7
R
-
ILE
A
312
L
H
LEU
V
224
R
H
PRO
A
316
L
H
ARG
V
228
R
H
ALA
A
317
L
H
LEU
V
224
R
H
TYR
A
320
L
H
LEU
V
231
R
H
TYR
A
320
L
H
MET
V
35
R
H
GLN
A
411
L
-
LEU
V
324
R
-
LEU
A
446
L
H
TRP
V
232
R
-
HIS
A
448
L
H
ARG
V
228
R
-
HIS
A
448
L
H
TRP
V
232
R
-
HIS
A
449
L
H
TRP
V
232
R
-
HIS
A
450
L
H
TRP
V
232
R
-
VAL
A
451
L
H
TRP
V
232
R
H
GLU
A
453
L
H
TRP
V
232
R
H
GLU
A
453
L
H
VAL
V
233
R
H
GLU
A
453
L
H
ASN
V
236
R
H
GLU
A
453
L
H
GLN
V
237
R
H
GLU
A
453
L
H
MET
V
240
R
H
PHE
A
456
L
H
ARG
V
228
R
H
PHE
A
456
L
H
ASN
V
229
R
H
PHE
A
456
L
H
TRP
V
232
R
H
PHE
A
456
L
H
VAL
V
233
R
H
ARG
A
457
L
H
GLU
V
101
R
H
ARG
A
457
L
H
VAL
V
233
R
H
LEU
A
459
L
H
ARG
V
228
R
H
VAL
A
460
L
H
THR
V
225
R
H
VAL
A
460
L
H
ILE
V
226
R
H
VAL
A
460
L
H
ARG
V
228
R
H
VAL
A
460
L
H
ASN
V
229
R
H
ALA
A
463
L
H
THR
V
225
R
H
LEU
A
464
L
H
ASP
V
222
R
H
LEU
A
464
L
H
THR
V
225
R
H
LEU
A
464
L
H
ILE
V
226
R
H
THR
A
467
L
H
LEU
V
218
R
H
THR
A
467
L
H
PHE
V
221
R
H
THR
A
467
L
H
ASP
V
222
R
H
LEU
A
471
L
H
GLN
V
115
R
H
LEU
A
471
L
H
ALA
V
215
R
H
LEU
A
471
L
H
LEU
V
218
R
H
PHE
A
474
L
H
TYR
V
119
R
H
PHE
A
474
L
H
THR
V
211
R
H
PHE
A
474
L
H
GLU
V
214
R
H
PHE
A
474
L
H
ALA
V
215
R
H
GLN
A
475
L
H
GLN
V
115
R
H
PHE
A
478
L
H
GLU
V
208
R
H
PHE
A
478
L
H
THR
V
211
R
-
LEU
A
491
L
H
ARG
V
125
R
-
ASN
A
516
L
H
LYS
V
118
R
-
ASN
A
516
L
H
VAL
V
122
R
-
ILE
A
517
L
H
GLU
V
114
R
-
ILE
A
517
L
H
LYS
V
118
R
-
SER
A
518
L
H
GLU
V
114
R
-
SER
A
518
L
H
GLN
V
115
R
-
SER
A
518
L
H
LYS
V
118
R
-
GLY
A
519
L
H
GLU
V
114
R
-
GLY
A
519
L
H
LYS
V
118
R
-
THR
A
520
L
H
ARG
V
111
R
-
THR
A
526
L
H
GLU
V
114
R
-
THR
A
526
L
H
LYS
V
118
R
-
PRO
A
528
L
H
ALA
V
121
R
-
ARG
A
529
L
H
ARG
V
125
A1IGU5_O43586.19
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
-
CB
PHE
A
303
L
H
HZ2
LYS
V
34
R
-
CG
PHE
A
303
L
H
HZ2
LYS
V
34
R
-
CD1
PHE
A
303
L
H
NZ
LYS
V
34
R
-
CD1
PHE
A
303
L
H
HD3
LYS
V
34
R
-
CD1
PHE
A
303
L
H
HZ2
LYS
V
34
R
-
CD2
PHE
A
303
L
H
HD3
LYS
V
34
R
-
CE1
PHE
A
303
L
H
HD3
LYS
V
34
R
-
CE1
PHE
A
303
L
H
HZ2
LYS
V
34
R
-
CE2
PHE
A
303
L
H
CG
ASP
V
31
R
-
CE2
PHE
A
303
L
H
OD1
ASP
V
31
R
-
CE2
PHE
A
303
L
H
HB3
ASP
V
31
R
-
CE2
PHE
A
303
L
H
HD3
LYS
V
34
R
-
CZ
PHE
A
303
L
H
CB
ASP
V
31
R
-
CZ
PHE
A
303
L
H
HA
ASP
V
31
R
-
CZ
PHE
A
303
L
H
HB3
ASP
V
31
R
-
CZ
PHE
A
303
L
H
HD3
LYS
V
34
R
H
CA
PRO
A
305
L
H
HH12
ARG
V
28
R
H
C
PRO
A
305
L
H
HH12
ARG
V
28
R
H
CB
PRO
A
305
L
H
HH12
ARG
V
28
R
H
O
PRO
A
305
L
H
NH1
ARG
V
28
R
H
O
PRO
A
305
L
H
HH12
ARG
V
28
R
-
CB
TYR
A
308
L
H
NH1
ARG
V
28
R
-
CB
TYR
A
308
L
H
HD3
ARG
V
28
R
-
CB
TYR
A
308
L
H
HH11
ARG
V
28
R
-
CB
TYR
A
308
L
H
HH12
ARG
V
28
R
-
CG
TYR
A
308
L
H
HH11
ARG
V
28
R
-
CD1
TYR
A
308
L
H
OD2
ASP
V
31
R
-
CD2
TYR
A
308
L
H
HH11
ARG
V
28
R
-
CE1
TYR
A
308
L
H
OD2
ASP
V
31
R
-
CE2
TYR
A
308
L
H
OD2
ASP
V
31
R
-
CZ
TYR
A
308
L
H
OD2
ASP
V
31
R
-
O
ASN
A
309
L
-
HZ
PHE
V
11
R
-
CA
LEU
A
310
L
H
HE1
PHE
V
7
R
-
CA
LEU
A
310
L
H
HZ
PHE
V
7
R
-
C
LEU
A
310
L
H
CE1
PHE
V
7
R
-
C
LEU
A
310
L
H
HE1
PHE
V
7
R
-
C
LEU
A
310
L
H
HZ
PHE
V
7
R
-
CB
LEU
A
310
L
H
HZ
PHE
V
7
R
-
CB
LEU
A
310
L
H
HG2
GLU
V
220
R
-
O
LEU
A
310
L
H
CE1
PHE
V
7
R
-
O
LEU
A
310
L
H
CZ
PHE
V
7
R
-
O
LEU
A
310
L
H
HE1
PHE
V
7
R
-
O
LEU
A
310
L
H
HZ
PHE
V
7
R
-
CG
LEU
A
310
L
H
NE
ARG
V
28
R
-
CG
LEU
A
310
L
H
NH2
ARG
V
28
R
-
CG
LEU
A
310
L
H
CZ
ARG
V
28
R
-
CG
LEU
A
310
L
H
HD3
ARG
V
28
R
-
CG
LEU
A
310
L
H
HE
ARG
V
28
R
-
CG
LEU
A
310
L
H
HH21
ARG
V
28
R
-
CG
LEU
A
310
L
H
CD
GLU
V
220
R
-
CG
LEU
A
310
L
H
OE1
GLU
V
220
R
-
CG
LEU
A
310
L
H
HG2
GLU
V
220
R
-
CG
LEU
A
310
L
H
HD13
LEU
V
224
R
-
CD1
LEU
A
310
L
H
NE
ARG
V
28
R
-
CD1
LEU
A
310
L
H
NH2
ARG
V
28
R
-
CD1
LEU
A
310
L
H
CZ
ARG
V
28
R
-
CD1
LEU
A
310
L
H
HE
ARG
V
28
R
-
CD1
LEU
A
310
L
H
HH21
ARG
V
28
R
-
CD1
LEU
A
310
L
H
HH22
ARG
V
28
R
-
CD1
LEU
A
310
L
H
CG
GLU
V
220
R
-
CD1
LEU
A
310
L
H
CD
GLU
V
220
R
-
CD1
LEU
A
310
L
H
OE1
GLU
V
220
R
-
CD1
LEU
A
310
L
H
HG2
GLU
V
220
R
-
CD1
LEU
A
310
L
H
HG3
GLU
V
220
R
-
CD1
LEU
A
310
L
H
NH2
ARG
V
223
R
-
CD1
LEU
A
310
L
H
HH21
ARG
V
223
R
-
CD1
LEU
A
310
L
H
HH22
ARG
V
223
R
-
CD1
LEU
A
310
L
H
CD1
LEU
V
224
R
-
CD1
LEU
A
310
L
H
HD13
LEU
V
224
R
-
CD1
LEU
A
310
L
H
HD22
LEU
V
224
R
-
CD2
LEU
A
310
L
H
HZ
PHE
V
7
R
-
CD2
LEU
A
310
L
H
CG
ARG
V
28
R
-
CD2
LEU
A
310
L
H
CD
ARG
V
28
R
-
CD2
LEU
A
310
L
H
NE
ARG
V
28
R
-
CD2
LEU
A
310
L
H
NH2
ARG
V
28
R
-
CD2
LEU
A
310
L
H
CZ
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HG2
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HG3
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HD2
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HD3
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HE
ARG
V
28
R
-
CD2
LEU
A
310
L
H
HH21
ARG
V
28
R
-
CD2
LEU
A
310
L
H
CG
GLU
V
220
R
-
CD2
LEU
A
310
L
H
CD
GLU
V
220
R
-
CD2
LEU
A
310
L
H
OE1
GLU
V
220
R
-
CD2
LEU
A
310
L
H
HG2
GLU
V
220
R
-
N
ASP
A
311
L
H
HE1
PHE
V
7
R
-
CA
ASP
A
311
L
-
HD11
LEU
V
5
R
-
CA
ASP
A
311
L
H
HE1
PHE
V
7
R
-
C
ASP
A
311
L
-
HB2
LEU
V
5
R
-
C
ASP
A
311
L
-
HD11
LEU
V
5
R
-
CB
ASP
A
311
L
-
HB2
LEU
V
5
R
-
CB
ASP
A
311
L
-
HB3
LEU
V
5
R
-
CB
ASP
A
311
L
-
HD11
LEU
V
5
R
-
CB
ASP
A
311
L
-
HD12
LEU
V
5
R
-
CB
ASP
A
311
L
H
HE1
PHE
V
7
R
-
O
ASP
A
311
L
-
CB
LEU
V
5
R
-
O
ASP
A
311
L
-
HB2
LEU
V
5
R
-
O
ASP
A
311
L
-
HD11
LEU
V
5
R
-
CG
ASP
A
311
L
-
HD12
LEU
V
5
R
-
CG
ASP
A
311
L
-
HE2
PHE
V
11
R
-
CG
ASP
A
311
L
-
HZ
PHE
V
11
R
-
OD1
ASP
A
311
L
-
HD12
LEU
V
5
R
-
OD2
ASP
A
311
L
H
HD1
PHE
V
7
R
-
OD2
ASP
A
311
L
H
HE1
PHE
V
7
R
-
OD2
ASP
A
311
L
-
HB1
ALA
V
10
R
-
OD2
ASP
A
311
L
-
HB2
ALA
V
10
R
-
OD2
ASP
A
311
L
-
CE2
PHE
V
11
R
-
OD2
ASP
A
311
L
-
CZ
PHE
V
11
R
-
OD2
ASP
A
311
L
-
HE2
PHE
V
11
R
-
OD2
ASP
A
311
L
-
HZ
PHE
V
11
R
-
CD1
ILE
A
312
L
H
CD1
LEU
V
224
R
-
CD1
ILE
A
312
L
H
HD11
LEU
V
224
R
-
CD1
ILE
A
312
L
H
HD12
LEU
V
224
R
-
CD1
ILE
A
312
L
H
HD13
LEU
V
224
R
H
CB
PRO
A
316
L
H
CD
ARG
V
228
R
H
CB
PRO
A
316
L
H
HD2
ARG
V
228
R
H
CB
PRO
A
316
L
H
HD3
ARG
V
228
R
H
CB
PRO
A
316
L
H
HH11
ARG
V
228
R
H
CG
PRO
A
316
L
H
NH1
ARG
V
228
R
H
CG
PRO
A
316
L
H
HD3
ARG
V
228
R
H
CG
PRO
A
316
L
H
HH11
ARG
V
228
R
H
CG
PRO
A
316
L
H
HH12
ARG
V
228
R
H
CB
ALA
A
317
L
H
HD12
LEU
V
224
R
H
CB
ALA
A
317
L
H
HD23
LEU
V
224
R
H
CE2
TYR
A
320
L
H
HD12
LEU
V
231
R
H
CE2
TYR
A
320
L
H
HD13
LEU
V
231
R
H
OH
TYR
A
320
L
H
CE
MET
V
35
R
H
OH
TYR
A
320
L
H
HE1
MET
V
35
R
H
OH
TYR
A
320
L
H
HE3
MET
V
35
R
H
CZ
TYR
A
320
L
H
HE3
MET
V
35
R
H
CD
GLN
A
411
L
-
HD13
LEU
V
324
R
H
NE2
GLN
A
411
L
-
CD1
LEU
V
324
R
H
NE2
GLN
A
411
L
-
HD11
LEU
V
324
R
H
NE2
GLN
A
411
L
-
HD12
LEU
V
324
R
H
NE2
GLN
A
411
L
-
HD13
LEU
V
324
R
H
OE1
GLN
A
411
L
-
HD13
LEU
V
324
R
-
CB
LEU
A
446
L
H
HZ3
TRP
V
232
R
-
CD1
LEU
A
446
L
H
HZ3
TRP
V
232
R
-
C
HIS
A
448
L
H
CH2
TRP
V
232
R
-
C
HIS
A
448
L
H
CZ2
TRP
V
232
R
-
C
HIS
A
448
L
H
CZ3
TRP
V
232
R
-
C
HIS
A
448
L
H
HH2
TRP
V
232
R
-
C
HIS
A
448
L
H
HZ2
TRP
V
232
R
-
C
HIS
A
448
L
H
HZ3
TRP
V
232
R
-
O
HIS
A
448
L
H
CE2
TRP
V
232
R
-
O
HIS
A
448
L
H
CH2
TRP
V
232
R
-
O
HIS
A
448
L
H
CZ2
TRP
V
232
R
-
O
HIS
A
448
L
H
CZ3
TRP
V
232
R
-
O
HIS
A
448
L
H
HH2
TRP
V
232
R
-
O
HIS
A
448
L
H
HZ2
TRP
V
232
R
-
CD2
HIS
A
448
L
H
NH1
ARG
V
228
R
-
CD2
HIS
A
448
L
H
CZ
ARG
V
228
R
-
CD2
HIS
A
448
L
H
HH11
ARG
V
228
R
-
CD2
HIS
A
448
L
H
HH12
ARG
V
228
R
-
NE2
HIS
A
448
L
H
NH1
ARG
V
228
R
-
NE2
HIS
A
448
L
H
CZ
ARG
V
228
R
-
NE2
HIS
A
448
L
H
HH11
ARG
V
228
R
-
NE2
HIS
A
448
L
H
HH12
ARG
V
228
R
-
NE2
HIS
A
448
L
H
HH22
ARG
V
228
R
-
N
HIS
A
449
L
H
CH2
TRP
V
232
R
-
N
HIS
A
449
L
H
CZ2
TRP
V
232
R
-
N
HIS
A
449
L
H
CZ3
TRP
V
232
R
-
N
HIS
A
449
L
H
HH2
TRP
V
232
R
-
N
HIS
A
449
L
H
HZ3
TRP
V
232
R
-
CA
HIS
A
449
L
H
CH2
TRP
V
232
R
-
CA
HIS
A
449
L
H
CZ2
TRP
V
232
R
-
CA
HIS
A
449
L
H
CZ3
TRP
V
232
R
-
CA
HIS
A
449
L
H
HH2
TRP
V
232
R
-
CA
HIS
A
449
L
H
HZ2
TRP
V
232
R
-
CA
HIS
A
449
L
H
HZ3
TRP
V
232
R
-
C
HIS
A
449
L
H
CH2
TRP
V
232
R
-
C
HIS
A
449
L
H
CZ2
TRP
V
232
R
-
C
HIS
A
449
L
H
HH2
TRP
V
232
R
-
C
HIS
A
449
L
H
HZ2
TRP
V
232
R
-
CB
HIS
A
449
L
H
CH2
TRP
V
232
R
-
CB
HIS
A
449
L
H
HH2
TRP
V
232
R
-
CB
HIS
A
449
L
H
HZ3
TRP
V
232
R
-
O
HIS
A
449
L
H
CH2
TRP
V
232
R
-
O
HIS
A
449
L
H
CZ2
TRP
V
232
R
-
O
HIS
A
449
L
H
HH2
TRP
V
232
R
-
O
HIS
A
449
L
H
HZ2
TRP
V
232
R
-
CG
HIS
A
449
L
H
HH2
TRP
V
232
R
-
CD2
HIS
A
449
L
H
HH2
TRP
V
232
R
-
N
HIS
A
450
L
H
HH2
TRP
V
232
R
-
N
VAL
A
451
L
H
HZ2
TRP
V
232
R
-
C
VAL
A
451
L
H
HZ2
TRP
V
232
R
-
O
VAL
A
451
L
H
CZ2
TRP
V
232
R
-
O
VAL
A
451
L
H
HZ2
TRP
V
232
R
-
O
VAL
A
451
L
H
HE1
TRP
V
232
R
H
N
GLU
A
453
L
H
HE1
TRP
V
232
R
H
N
GLU
A
453
L
H
ND2
ASN
V
236
R
H
N
GLU
A
453
L
H
HD21
ASN
V
236
R
H
N
GLU
A
453
L
H
HD22
ASN
V
236
R
H
CA
GLU
A
453
L
H
HE1
TRP
V
232
R
H
CA
GLU
A
453
L
H
ND2
ASN
V
236
R
H
CA
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CA
GLU
A
453
L
H
HD22
ASN
V
236
R
H
C
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CB
GLU
A
453
L
H
CB
ASN
V
236
R
H
CB
GLU
A
453
L
H
CG
ASN
V
236
R
H
CB
GLU
A
453
L
H
ND2
ASN
V
236
R
H
CB
GLU
A
453
L
H
HB2
ASN
V
236
R
H
CB
GLU
A
453
L
H
HB3
ASN
V
236
R
H
CB
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CB
GLU
A
453
L
H
HD22
ASN
V
236
R
H
O
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CG
GLU
A
453
L
H
HA
VAL
V
233
R
H
CG
GLU
A
453
L
H
HG23
VAL
V
233
R
H
CG
GLU
A
453
L
H
CB
ASN
V
236
R
H
CG
GLU
A
453
L
H
CG
ASN
V
236
R
H
CG
GLU
A
453
L
H
ND2
ASN
V
236
R
H
CG
GLU
A
453
L
H
HB2
ASN
V
236
R
H
CG
GLU
A
453
L
H
HB3
ASN
V
236
R
H
CG
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CG
GLU
A
453
L
H
HD22
ASN
V
236
R
H
CD
GLU
A
453
L
H
HA
VAL
V
233
R
H
CD
GLU
A
453
L
H
HG13
VAL
V
233
R
H
CD
GLU
A
453
L
H
CB
ASN
V
236
R
H
CD
GLU
A
453
L
H
CG
ASN
V
236
R
H
CD
GLU
A
453
L
H
ND2
ASN
V
236
R
H
CD
GLU
A
453
L
H
HB2
ASN
V
236
R
H
CD
GLU
A
453
L
H
HB3
ASN
V
236
R
H
CD
GLU
A
453
L
H
HD21
ASN
V
236
R
H
CD
GLU
A
453
L
H
HG3
GLN
V
237
R
H
OE1
GLU
A
453
L
H
O
VAL
V
233
R
H
OE1
GLU
A
453
L
H
HA
VAL
V
233
R
H
OE1
GLU
A
453
L
H
HG13
VAL
V
233
R
H
OE1
GLU
A
453
L
H
HG23
VAL
V
233
R
H
OE1
GLU
A
453
L
H
CB
ASN
V
236
R
H
OE1
GLU
A
453
L
H
HB2
ASN
V
236
R
H
OE1
GLU
A
453
L
H
HB3
ASN
V
236
R
H
OE1
GLU
A
453
L
H
HD21
ASN
V
236
R
H
OE1
GLU
A
453
L
H
HG3
GLN
V
237
R
H
OE2
GLU
A
453
L
H
CA
ASN
V
236
R
H
OE2
GLU
A
453
L
H
C
ASN
V
236
R
H
OE2
GLU
A
453
L
H
CB
ASN
V
236
R
H
OE2
GLU
A
453
L
H
O
ASN
V
236
R
H
OE2
GLU
A
453
L
H
CG
ASN
V
236
R
H
OE2
GLU
A
453
L
H
ND2
ASN
V
236
R
H
OE2
GLU
A
453
L
H
HB2
ASN
V
236
R
H
OE2
GLU
A
453
L
H
HB3
ASN
V
236
R
H
OE2
GLU
A
453
L
H
HD21
ASN
V
236
R
H
OE2
GLU
A
453
L
H
HE2
MET
V
240
R
H
CB
PHE
A
456
L
H
CD1
TRP
V
232
R
H
CB
PHE
A
456
L
H
NE1
TRP
V
232
R
H
CB
PHE
A
456
L
H
HD1
TRP
V
232
R
H
CB
PHE
A
456
L
H
HE1
TRP
V
232
R
H
CG
PHE
A
456
L
H
CG
TRP
V
232
R
H
CG
PHE
A
456
L
H
CD1
TRP
V
232
R
H
CG
PHE
A
456
L
H
CE2
TRP
V
232
R
H
CG
PHE
A
456
L
H
NE1
TRP
V
232
R
H
CG
PHE
A
456
L
H
HD1
TRP
V
232
R
H
CG
PHE
A
456
L
H
HE1
TRP
V
232
R
H
CD1
PHE
A
456
L
H
HA
ASN
V
229
R
H
CD1
PHE
A
456
L
H
CB
TRP
V
232
R
H
CD1
PHE
A
456
L
H
CG
TRP
V
232
R
H
CD1
PHE
A
456
L
H
CD1
TRP
V
232
R
H
CD1
PHE
A
456
L
H
CD2
TRP
V
232
R
H
CD1
PHE
A
456
L
H
CE2
TRP
V
232
R
H
CD1
PHE
A
456
L
H
NE1
TRP
V
232
R
H
CD1
PHE
A
456
L
H
HB3
TRP
V
232
R
H
CD1
PHE
A
456
L
H
HD1
TRP
V
232
R
H
CD1
PHE
A
456
L
H
HE1
TRP
V
232
R
H
CD1
PHE
A
456
L
H
HG21
VAL
V
233
R
H
CE1
PHE
A
456
L
H
CA
ASN
V
229
R
H
CE1
PHE
A
456
L
H
CB
ASN
V
229
R
H
CE1
PHE
A
456
L
H
O
ASN
V
229
R
H
CE1
PHE
A
456
L
H
CG
ASN
V
229
R
H
CE1
PHE
A
456
L
H
OD1
ASN
V
229
R
H
CE1
PHE
A
456
L
H
HA
ASN
V
229
R
H
CE1
PHE
A
456
L
H
HB2
ASN
V
229
R
H
CE1
PHE
A
456
L
H
CB
TRP
V
232
R
H
CE1
PHE
A
456
L
H
CG
TRP
V
232
R
H
CE1
PHE
A
456
L
H
CD1
TRP
V
232
R
H
CE1
PHE
A
456
L
H
CD2
TRP
V
232
R
H
CE1
PHE
A
456
L
H
NE1
TRP
V
232
R
H
CE1
PHE
A
456
L
H
HB2
TRP
V
232
R
H
CE1
PHE
A
456
L
H
HB3
TRP
V
232
R
H
CE1
PHE
A
456
L
H
HD1
TRP
V
232
R
H
CE1
PHE
A
456
L
H
HG21
VAL
V
233
R
H
CE2
PHE
A
456
L
H
HE
ARG
V
228
R
H
CE2
PHE
A
456
L
H
HH21
ARG
V
228
R
H
CE2
PHE
A
456
L
H
OD1
ASN
V
229
R
H
CZ
PHE
A
456
L
H
HG2
ARG
V
228
R
H
CZ
PHE
A
456
L
H
HE
ARG
V
228
R
H
CZ
PHE
A
456
L
H
HH21
ARG
V
228
R
H
CZ
PHE
A
456
L
H
CA
ASN
V
229
R
H
CZ
PHE
A
456
L
H
CG
ASN
V
229
R
H
CZ
PHE
A
456
L
H
OD1
ASN
V
229
R
H
CZ
PHE
A
456
L
H
HA
ASN
V
229
R
H
CZ
PHE
A
456
L
H
CB
TRP
V
232
R
H
CZ
PHE
A
456
L
H
CG
TRP
V
232
R
H
CZ
PHE
A
456
L
H
HB2
TRP
V
232
R
H
CZ
PHE
A
456
L
H
HB3
TRP
V
232
R
H
CB
ARG
A
457
L
H
HG23
VAL
V
233
R
H
NH1
ARG
A
457
L
H
OE1
GLU
V
101
R
H
NH2
ARG
A
457
L
H
OE1
GLU
V
101
R
H
CD2
LEU
A
459
L
H
HH22
ARG
V
228
R
H
N
VAL
A
460
L
H
ND2
ASN
V
229
R
H
N
VAL
A
460
L
H
HD22
ASN
V
229
R
H
CA
VAL
A
460
L
H
CG
ASN
V
229
R
H
CA
VAL
A
460
L
H
ND2
ASN
V
229
R
H
CA
VAL
A
460
L
H
HD21
ASN
V
229
R
H
CA
VAL
A
460
L
H
HD22
ASN
V
229
R
H
C
VAL
A
460
L
H
ND2
ASN
V
229
R
H
C
VAL
A
460
L
H
HD21
ASN
V
229
R
H
C
VAL
A
460
L
H
HD22
ASN
V
229
R
H
CB
VAL
A
460
L
H
CB
ASN
V
229
R
H
CB
VAL
A
460
L
H
CG
ASN
V
229
R
H
CB
VAL
A
460
L
H
ND2
ASN
V
229
R
H
CB
VAL
A
460
L
H
OD1
ASN
V
229
R
H
CB
VAL
A
460
L
H
HB2
ASN
V
229
R
H
CB
VAL
A
460
L
H
HB3
ASN
V
229
R
H
CB
VAL
A
460
L
H
HD21
ASN
V
229
R
H
CB
VAL
A
460
L
H
HD22
ASN
V
229
R
H
O
VAL
A
460
L
H
HD21
ASN
V
229
R
H
O
VAL
A
460
L
H
HD22
ASN
V
229
R
H
CG1
VAL
A
460
L
H
HG22
THR
V
225
R
H
CG1
VAL
A
460
L
H
HA
ILE
V
226
R
H
CG1
VAL
A
460
L
H
CB
ASN
V
229
R
H
CG1
VAL
A
460
L
H
CG
ASN
V
229
R
H
CG1
VAL
A
460
L
H
ND2
ASN
V
229
R
H
CG1
VAL
A
460
L
H
OD1
ASN
V
229
R
H
CG1
VAL
A
460
L
H
HB2
ASN
V
229
R
H
CG1
VAL
A
460
L
H
HB3
ASN
V
229
R
H
CG1
VAL
A
460
L
H
HD21
ASN
V
229
R
H
CG1
VAL
A
460
L
H
HD22
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HH21
ARG
V
228
R
H
CG2
VAL
A
460
L
H
CA
ASN
V
229
R
H
CG2
VAL
A
460
L
H
CB
ASN
V
229
R
H
CG2
VAL
A
460
L
H
CG
ASN
V
229
R
H
CG2
VAL
A
460
L
H
ND2
ASN
V
229
R
H
CG2
VAL
A
460
L
H
OD1
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HA
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HB2
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HB3
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HD21
ASN
V
229
R
H
CG2
VAL
A
460
L
H
HD22
ASN
V
229
R
H
CB
ALA
A
463
L
H
HG21
THR
V
225
R
H
CG
LEU
A
464
L
H
HG22
THR
V
225
R
H
CG
LEU
A
464
L
H
CG1
ILE
V
226
R
H
CG
LEU
A
464
L
H
HG12
ILE
V
226
R
H
CG
LEU
A
464
L
H
HG13
ILE
V
226
R
H
CG
LEU
A
464
L
H
HD11
ILE
V
226
R
H
CD1
LEU
A
464
L
H
CG1
ILE
V
226
R
H
CD1
LEU
A
464
L
H
CD1
ILE
V
226
R
H
CD1
LEU
A
464
L
H
HA
ILE
V
226
R
H
CD1
LEU
A
464
L
H
HG12
ILE
V
226
R
H
CD1
LEU
A
464
L
H
HG13
ILE
V
226
R
H
CD1
LEU
A
464
L
H
HD11
ILE
V
226
R
H
CD2
LEU
A
464
L
H
HA
ASP
V
222
R
H
CD2
LEU
A
464
L
H
HB
THR
V
225
R
H
CD2
LEU
A
464
L
H
HG22
THR
V
225
R
H
CD2
LEU
A
464
L
H
CG1
ILE
V
226
R
H
CD2
LEU
A
464
L
H
CD1
ILE
V
226
R
H
CD2
LEU
A
464
L
H
HG12
ILE
V
226
R
H
CD2
LEU
A
464
L
H
HG13
ILE
V
226
R
H
CD2
LEU
A
464
L
H
HD11
ILE
V
226
R
H
CD2
LEU
A
464
L
H
HD12
ILE
V
226
R
H
CA
THR
A
467
L
H
HD13
LEU
V
218
R
H
C
THR
A
467
L
H
HD13
LEU
V
218
R
H
CB
THR
A
467
L
H
HD13
LEU
V
218
R
H
CB
THR
A
467
L
H
HD1
PHE
V
221
R
H
CB
THR
A
467
L
H
HE1
PHE
V
221
R
H
CB
THR
A
467
L
H
OD1
ASP
V
222
R
H
O
THR
A
467
L
H
HD13
LEU
V
218
R
H
O
THR
A
467
L
H
HD22
LEU
V
218
R
H
CG2
THR
A
467
L
H
HD13
LEU
V
218
R
H
CG2
THR
A
467
L
H
CD1
PHE
V
221
R
H
CG2
THR
A
467
L
H
CE1
PHE
V
221
R
H
CG2
THR
A
467
L
H
HD1
PHE
V
221
R
H
CG2
THR
A
467
L
H
HE1
PHE
V
221
R
H
CG2
THR
A
467
L
H
OD1
ASP
V
222
R
H
OG1
THR
A
467
L
H
HE1
PHE
V
221
R
H
OG1
THR
A
467
L
H
CG
ASP
V
222
R
H
OG1
THR
A
467
L
H
OD1
ASP
V
222
R
H
N
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CA
LEU
A
471
L
H
CD2
LEU
V
218
R
H
CA
LEU
A
471
L
H
HD21
LEU
V
218
R
H
CA
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CA
LEU
A
471
L
H
HD23
LEU
V
218
R
H
CB
LEU
A
471
L
H
CD2
LEU
V
218
R
H
CB
LEU
A
471
L
H
HD21
LEU
V
218
R
H
CB
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CB
LEU
A
471
L
H
HD23
LEU
V
218
R
H
CG
LEU
A
471
L
H
CD2
LEU
V
218
R
H
CG
LEU
A
471
L
H
HD21
LEU
V
218
R
H
CG
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CD1
LEU
A
471
L
H
HA
ALA
V
215
R
H
CD1
LEU
A
471
L
H
CD2
LEU
V
218
R
H
CD1
LEU
A
471
L
H
HB3
LEU
V
218
R
H
CD1
LEU
A
471
L
H
HD21
LEU
V
218
R
H
CD1
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CD1
LEU
A
471
L
H
HD23
LEU
V
218
R
H
CD2
LEU
A
471
L
H
NE2
GLN
V
115
R
H
CD2
LEU
A
471
L
H
OE1
GLN
V
115
R
H
CD2
LEU
A
471
L
H
HE22
GLN
V
115
R
H
CD2
LEU
A
471
L
H
CD2
LEU
V
218
R
H
CD2
LEU
A
471
L
H
HD21
LEU
V
218
R
H
CD2
LEU
A
471
L
H
HD22
LEU
V
218
R
H
CD1
PHE
A
474
L
H
HH
TYR
V
119
R
H
CE1
PHE
A
474
L
H
HH
TYR
V
119
R
H
CE1
PHE
A
474
L
H
CG2
THR
V
211
R
H
CE1
PHE
A
474
L
H
HG22
THR
V
211
R
H
CE1
PHE
A
474
L
H
HG23
THR
V
211
R
H
CE1
PHE
A
474
L
H
HB2
ALA
V
215
R
H
CE2
PHE
A
474
L
H
HG23
THR
V
211
R
H
CE2
PHE
A
474
L
H
OE2
GLU
V
214
R
H
CZ
PHE
A
474
L
H
CG2
THR
V
211
R
H
CZ
PHE
A
474
L
H
HA
THR
V
211
R
H
CZ
PHE
A
474
L
H
HG22
THR
V
211
R
H
CZ
PHE
A
474
L
H
HG23
THR
V
211
R
H
CZ
PHE
A
474
L
H
OE2
GLU
V
214
R
H
CZ
PHE
A
474
L
H
HB3
GLU
V
214
R
H
NE2
GLN
A
475
L
H
HG2
GLN
V
115
R
H
CG
PHE
A
478
L
H
CG2
THR
V
211
R
H
CG
PHE
A
478
L
H
HG21
THR
V
211
R
H
CG
PHE
A
478
L
H
HG23
THR
V
211
R
H
CD1
PHE
A
478
L
H
HG21
THR
V
211
R
H
CD2
PHE
A
478
L
H
CG2
THR
V
211
R
H
CD2
PHE
A
478
L
H
OG1
THR
V
211
R
H
CD2
PHE
A
478
L
H
HG21
THR
V
211
R
H
CD2
PHE
A
478
L
H
HG23
THR
V
211
R
H
CE1
PHE
A
478
L
H
OE1
GLU
V
208
R
H
CE1
PHE
A
478
L
H
OE2
GLU
V
208
R
H
CE1
PHE
A
478
L
H
HG21
THR
V
211
R
H
CE2
PHE
A
478
L
H
CB
THR
V
211
R
H
CE2
PHE
A
478
L
H
CG2
THR
V
211
R
H
CE2
PHE
A
478
L
H
OG1
THR
V
211
R
H
CE2
PHE
A
478
L
H
HB
THR
V
211
R
H
CE2
PHE
A
478
L
H
HG1
THR
V
211
R
H
CE2
PHE
A
478
L
H
HG21
THR
V
211
R
H
CE2
PHE
A
478
L
H
HG22
THR
V
211
R
H
CE2
PHE
A
478
L
H
HG23
THR
V
211
R
H
CZ
PHE
A
478
L
H
CD
GLU
V
208
R
H
CZ
PHE
A
478
L
H
OE1
GLU
V
208
R
H
CZ
PHE
A
478
L
H
OE2
GLU
V
208
R
H
CZ
PHE
A
478
L
H
CG2
THR
V
211
R
H
CZ
PHE
A
478
L
H
HB
THR
V
211
R
H
CZ
PHE
A
478
L
H
HG21
THR
V
211
R
-
CD2
LEU
A
491
L
H
HG3
ARG
V
125
R
-
CD2
LEU
A
491
L
H
HD3
ARG
V
125
R
-
C
ASN
A
516
L
H
HE2
LYS
V
118
R
-
C
ASN
A
516
L
H
HZ3
LYS
V
118
R
-
CB
ASN
A
516
L
H
HB2
LYS
V
118
R
-
CB
ASN
A
516
L
H
HG2
LYS
V
118
R
-
CB
ASN
A
516
L
H
HD3
LYS
V
118
R
-
O
ASN
A
516
L
H
HZ3
LYS
V
118
R
-
CG
ASN
A
516
L
H
HB2
LYS
V
118
R
-
ND2
ASN
A
516
L
H
HB2
LYS
V
118
R
-
ND2
ASN
A
516
L
H
CG2
VAL
V
122
R
-
ND2
ASN
A
516
L
H
HG21
VAL
V
122
R
-
ND2
ASN
A
516
L
H
HG22
VAL
V
122
R
-
N
ILE
A
517
L
H
HE2
LYS
V
118
R
-
N
ILE
A
517
L
H
HZ3
LYS
V
118
R
-
CA
ILE
A
517
L
H
NZ
LYS
V
118
R
-
CA
ILE
A
517
L
H
HE2
LYS
V
118
R
-
CA
ILE
A
517
L
H
HZ1
LYS
V
118
R
-
CA
ILE
A
517
L
H
HZ3
LYS
V
118
R
-
C
ILE
A
517
L
H
CE
LYS
V
118
R
-
C
ILE
A
517
L
H
NZ
LYS
V
118
R
-
C
ILE
A
517
L
H
HE2
LYS
V
118
R
-
C
ILE
A
517
L
H
HE3
LYS
V
118
R
-
C
ILE
A
517
L
H
HZ1
LYS
V
118
R
-
C
ILE
A
517
L
H
HZ2
LYS
V
118
R
-
C
ILE
A
517
L
H
HZ3
LYS
V
118
R
-
O
ILE
A
517
L
H
OE1
GLU
V
114
R
-
O
ILE
A
517
L
H
CE
LYS
V
118
R
-
O
ILE
A
517
L
H
NZ
LYS
V
118
R
-
O
ILE
A
517
L
H
HG2
LYS
V
118
R
-
O
ILE
A
517
L
H
HE2
LYS
V
118
R
-
O
ILE
A
517
L
H
HE3
LYS
V
118
R
-
O
ILE
A
517
L
H
HZ1
LYS
V
118
R
-
O
ILE
A
517
L
H
HZ3
LYS
V
118
R
-
N
SER
A
518
L
H
CE
LYS
V
118
R
-
N
SER
A
518
L
H
NZ
LYS
V
118
R
-
N
SER
A
518
L
H
HE2
LYS
V
118
R
-
N
SER
A
518
L
H
HE3
LYS
V
118
R
-
N
SER
A
518
L
H
HZ1
LYS
V
118
R
-
N
SER
A
518
L
H
HZ2
LYS
V
118
R
-
N
SER
A
518
L
H
HZ3
LYS
V
118
R
-
CA
SER
A
518
L
H
CG
GLU
V
114
R
-
CA
SER
A
518
L
H
CD
GLU
V
114
R
-
CA
SER
A
518
L
H
OE1
GLU
V
114
R
-
CA
SER
A
518
L
H
HG2
GLU
V
114
R
-
CA
SER
A
518
L
H
HG3
GLU
V
114
R
-
CA
SER
A
518
L
H
CE
LYS
V
118
R
-
CA
SER
A
518
L
H
NZ
LYS
V
118
R
-
CA
SER
A
518
L
H
HE2
LYS
V
118
R
-
CA
SER
A
518
L
H
HE3
LYS
V
118
R
-
CA
SER
A
518
L
H
HZ1
LYS
V
118
R
-
CA
SER
A
518
L
H
HZ2
LYS
V
118
R
-
CA
SER
A
518
L
H
HZ3
LYS
V
118
R
-
C
SER
A
518
L
H
CG
GLU
V
114
R
-
C
SER
A
518
L
H
OE1
GLU
V
114
R
-
C
SER
A
518
L
H
HG2
GLU
V
114
R
-
C
SER
A
518
L
H
HG3
GLU
V
114
R
-
C
SER
A
518
L
H
NZ
LYS
V
118
R
-
C
SER
A
518
L
H
HE3
LYS
V
118
R
-
C
SER
A
518
L
H
HZ1
LYS
V
118
R
-
C
SER
A
518
L
H
HZ2
LYS
V
118
R
-
CB
SER
A
518
L
H
CG
GLU
V
114
R
-
CB
SER
A
518
L
H
OE1
GLU
V
114
R
-
CB
SER
A
518
L
H
HG2
GLU
V
114
R
-
CB
SER
A
518
L
H
HG3
GLU
V
114
R
-
CB
SER
A
518
L
H
CD
LYS
V
118
R
-
CB
SER
A
518
L
H
CE
LYS
V
118
R
-
CB
SER
A
518
L
H
NZ
LYS
V
118
R
-
CB
SER
A
518
L
H
HD2
LYS
V
118
R
-
CB
SER
A
518
L
H
HE2
LYS
V
118
R
-
CB
SER
A
518
L
H
HE3
LYS
V
118
R
-
CB
SER
A
518
L
H
HZ1
LYS
V
118
R
-
CB
SER
A
518
L
H
HZ2
LYS
V
118
R
-
CB
SER
A
518
L
H
HZ3
LYS
V
118
R
-
O
SER
A
518
L
H
HG3
GLU
V
114
R
-
O
SER
A
518
L
H
NZ
LYS
V
118
R
-
O
SER
A
518
L
H
HZ1
LYS
V
118
R
-
OG
SER
A
518
L
H
CG
GLU
V
114
R
-
OG
SER
A
518
L
H
HG2
GLU
V
114
R
-
OG
SER
A
518
L
H
HA
GLN
V
115
R
-
OG
SER
A
518
L
H
CG
LYS
V
118
R
-
OG
SER
A
518
L
H
CD
LYS
V
118
R
-
OG
SER
A
518
L
H
CE
LYS
V
118
R
-
OG
SER
A
518
L
H
NZ
LYS
V
118
R
-
OG
SER
A
518
L
H
HG2
LYS
V
118
R
-
OG
SER
A
518
L
H
HG3
LYS
V
118
R
-
OG
SER
A
518
L
H
HD2
LYS
V
118
R
-
OG
SER
A
518
L
H
HD3
LYS
V
118
R
-
OG
SER
A
518
L
H
HE2
LYS
V
118
R
-
OG
SER
A
518
L
H
HE3
LYS
V
118
R
-
OG
SER
A
518
L
H
HZ1
LYS
V
118
R
-
OG
SER
A
518
L
H
HZ2
LYS
V
118
R
-
OG
SER
A
518
L
H
HZ3
LYS
V
118
R
-
N
GLY
A
519
L
H
CG
GLU
V
114
R
-
N
GLY
A
519
L
H
CD
GLU
V
114
R
-
N
GLY
A
519
L
H
OE1
GLU
V
114
R
-
N
GLY
A
519
L
H
HG2
GLU
V
114
R
-
N
GLY
A
519
L
H
HG3
GLU
V
114
R
-
N
GLY
A
519
L
H
HZ1
LYS
V
118
R
-
CA
GLY
A
519
L
H
HG3
GLU
V
114
R
-
C
GLY
A
519
L
H
HG3
GLU
V
114
R
-
O
GLY
A
519
L
H
CB
GLU
V
114
R
-
O
GLY
A
519
L
H
CG
GLU
V
114
R
-
O
GLY
A
519
L
H
HB2
GLU
V
114
R
-
O
GLY
A
519
L
H
HB3
GLU
V
114
R
-
O
GLY
A
519
L
H
HG3
GLU
V
114
R
-
CB
THR
A
520
L
H
HG2
ARG
V
111
R
-
CG2
THR
A
520
L
H
HG2
ARG
V
111
R
-
N
THR
A
526
L
H
OE1
GLU
V
114
R
-
CA
THR
A
526
L
H
CD
GLU
V
114
R
-
CA
THR
A
526
L
H
OE1
GLU
V
114
R
-
C
THR
A
526
L
H
OE1
GLU
V
114
R
-
CB
THR
A
526
L
H
CG
GLU
V
114
R
-
CB
THR
A
526
L
H
CD
GLU
V
114
R
-
CB
THR
A
526
L
H
OE1
GLU
V
114
R
-
CB
THR
A
526
L
H
OE2
GLU
V
114
R
-
CG2
THR
A
526
L
H
CG
GLU
V
114
R
-
CG2
THR
A
526
L
H
CD
GLU
V
114
R
-
CG2
THR
A
526
L
H
OE1
GLU
V
114
R
-
CG2
THR
A
526
L
H
OE2
GLU
V
114
R
-
CG2
THR
A
526
L
H
HG2
GLU
V
114
R
-
CG2
THR
A
526
L
H
HG2
LYS
V
118
R
-
CG2
THR
A
526
L
H
HG3
LYS
V
118
R
-
CG2
THR
A
526
L
H
HE2
LYS
V
118
R
-
CG2
THR
A
526
L
H
HE3
LYS
V
118
R
-
OG1
THR
A
526
L
H
CB
GLU
V
114
R
-
OG1
THR
A
526
L
H
CG
GLU
V
114
R
-
OG1
THR
A
526
L
H
CD
GLU
V
114
R
-
OG1
THR
A
526
L
H
OE1
GLU
V
114
R
-
OG1
THR
A
526
L
H
OE2
GLU
V
114
R
-
OG1
THR
A
526
L
H
HB2
GLU
V
114
R
-
OG1
THR
A
526
L
H
HG2
GLU
V
114
R
-
OG1
THR
A
526
L
H
HG3
GLU
V
114
R
-
CB
PRO
A
528
L
H
HB1
ALA
V
121
R
-
O
ARG
A
529
L
H
HH12
ARG
V
125