A1IGU5_Q969H4.1
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
-
PRO
A
162
L
-
GLN
V
61
R
-
PRO
A
162
L
H
GLN
V
65
R
H
ALA
A
164
L
H
ARG
V
57
R
H
ALA
A
164
L
H
ASP
V
76
R
H
GLU
A
165
L
H
ARG
V
57
R
H
GLU
A
165
L
H
SER
V
58
R
H
GLU
A
165
L
-
GLN
V
61
R
H
GLU
A
165
L
H
LEU
V
68
R
-
PHE
A
323
L
H
ALA
V
93
R
-
PHE
A
323
L
H
SER
V
94
R
-
ALA
A
324
L
-
GLU
V
96
R
-
PHE
A
325
L
H
ARG
V
32
R
-
PHE
A
325
L
H
ARG
V
36
R
-
PHE
A
325
L
-
GLU
V
96
R
-
PHE
A
325
L
H
GLN
V
99
R
-
ASP
A
326
L
H
LEU
V
29
R
-
ASP
A
326
L
H
ARG
V
32
R
-
LEU
A
327
L
H
LEU
V
29
R
-
LEU
A
327
L
H
LEU
V
33
R
-
SER
A
328
L
H
LEU
V
29
R
-
SER
A
329
L
H
ARG
V
26
R
-
SER
A
329
L
H
LEU
V
29
R
-
SER
A
686
L
H
GLN
V
337
R
-
ASP
A
687
L
H
GLN
V
337
R
-
ASP
A
687
L
H
GLU
V
340
R
-
ASP
A
687
L
H
GLY
V
341
R
-
ASP
A
687
L
H
GLN
V
345
R
-
THR
A
689
L
H
GLU
V
340
R
-
THR
A
689
L
H
TRP
V
344
R
-
THR
A
689
L
H
GLN
V
345
R
-
GLN
A
691
L
H
ALA
V
291
R
-
GLN
A
691
L
H
LEU
V
294
R
-
GLN
A
691
L
H
ASP
V
295
R
-
GLN
A
691
L
H
GLN
V
298
R
-
GLN
A
691
L
H
LYS
V
336
R
-
GLN
A
691
L
H
TRP
V
344
R
-
SER
A
692
L
H
ASP
V
295
R
-
SER
A
692
L
H
GLN
V
298
R
-
PRO
A
693
L
H
ASP
V
295
R
-
PRO
A
693
L
H
GLN
V
298
R
-
HIS
A
694
L
H
ASP
V
295
R
-
HIS
A
694
L
H
ASN
V
296
R
-
HIS
A
694
L
H
ALA
V
299
R
-
SER
A
695
L
H
ALA
V
299
R
-
LEU
A
696
L
H
ALA
V
299
R
-
LEU
A
696
L
H
PHE
V
300
R
-
LEU
A
696
L
H
TYR
V
302
R
-
LEU
A
696
L
-
PHE
V
303
R
-
ASP
A
699
L
-
PHE
V
303
R
-
SER
A
704
L
H
PHE
V
456
R
-
HIS
A
705
L
H
GLU
V
453
R
-
LEU
A
706
L
H
MET
V
443
R
-
LEU
A
706
L
-
LEU
V
446
R
-
LEU
A
706
L
-
HIS
V
448
R
-
LEU
A
706
L
-
HIS
V
449
R
-
LEU
A
706
L
-
VAL
V
451
R
-
LEU
A
706
L
H
GLU
V
453
R
-
LEU
A
706
L
H
PHE
V
456
R
-
CYS
A
707
L
-
PRO
V
452
R
-
CYS
A
707
L
H
GLU
V
453
R
-
PRO
A
708
L
-
HIS
V
449
R
-
PRO
A
708
L
-
HIS
V
450
R
-
PRO
A
708
L
-
VAL
V
451
R
-
PRO
A
708
L
-
PRO
V
452
R
-
LEU
A
709
L
-
HIS
V
449
R
-
LEU
A
709
L
-
HIS
V
450
A1IGU5_Q969H4.1
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
-
CB
PRO
A
162
L
H
CD
GLN
V
65
R
-
CB
PRO
A
162
L
H
NE2
GLN
V
65
R
-
CB
PRO
A
162
L
H
OE1
GLN
V
65
R
-
CB
PRO
A
162
L
H
HG3
GLN
V
65
R
-
CB
PRO
A
162
L
H
HE21
GLN
V
65
R
-
CB
PRO
A
162
L
H
HE22
GLN
V
65
R
-
CG
PRO
A
162
L
-
HE22
GLN
V
61
R
-
CG
PRO
A
162
L
H
CD
GLN
V
65
R
-
CG
PRO
A
162
L
H
NE2
GLN
V
65
R
-
CG
PRO
A
162
L
H
OE1
GLN
V
65
R
-
CG
PRO
A
162
L
H
HE21
GLN
V
65
R
-
CG
PRO
A
162
L
H
HE22
GLN
V
65
R
-
CD
PRO
A
162
L
H
CD
GLN
V
65
R
-
CD
PRO
A
162
L
H
OE1
GLN
V
65
R
H
CB
ALA
A
164
L
H
HH12
ARG
V
57
R
H
CB
ALA
A
164
L
H
OD2
ASP
V
76
R
H
CG
GLU
A
165
L
-
NE2
GLN
V
61
R
H
CG
GLU
A
165
L
-
HE22
GLN
V
61
R
H
CD
GLU
A
165
L
H
HG2
ARG
V
57
R
H
CD
GLU
A
165
L
-
CD
GLN
V
61
R
H
CD
GLU
A
165
L
-
NE2
GLN
V
61
R
H
CD
GLU
A
165
L
-
OE1
GLN
V
61
R
H
CD
GLU
A
165
L
-
HE21
GLN
V
61
R
H
CD
GLU
A
165
L
-
HE22
GLN
V
61
R
H
OE1
GLU
A
165
L
H
O
ARG
V
57
R
H
OE1
GLU
A
165
L
H
CG
ARG
V
57
R
H
OE1
GLU
A
165
L
H
HG2
ARG
V
57
R
H
OE1
GLU
A
165
L
H
HG3
ARG
V
57
R
H
OE1
GLU
A
165
L
H
HD2
ARG
V
57
R
H
OE1
GLU
A
165
L
H
HA
SER
V
58
R
H
OE1
GLU
A
165
L
-
CD
GLN
V
61
R
H
OE1
GLU
A
165
L
-
NE2
GLN
V
61
R
H
OE1
GLU
A
165
L
-
OE1
GLN
V
61
R
H
OE1
GLU
A
165
L
-
HG2
GLN
V
61
R
H
OE1
GLU
A
165
L
-
HE21
GLN
V
61
R
H
OE1
GLU
A
165
L
-
HE22
GLN
V
61
R
H
OE1
GLU
A
165
L
H
HD12
LEU
V
68
R
H
OE2
GLU
A
165
L
-
CG
GLN
V
61
R
H
OE2
GLU
A
165
L
-
CD
GLN
V
61
R
H
OE2
GLU
A
165
L
-
NE2
GLN
V
61
R
H
OE2
GLU
A
165
L
-
OE1
GLN
V
61
R
H
OE2
GLU
A
165
L
-
HG3
GLN
V
61
R
H
OE2
GLU
A
165
L
-
HE21
GLN
V
61
R
H
OE2
GLU
A
165
L
-
HE22
GLN
V
61
R
-
CD1
PHE
A
323
L
H
O
ALA
V
93
R
-
CD1
PHE
A
323
L
H
HA
SER
V
94
R
-
CE1
PHE
A
323
L
H
C
ALA
V
93
R
-
CE1
PHE
A
323
L
H
O
ALA
V
93
R
-
CE1
PHE
A
323
L
H
N
SER
V
94
R
-
CE1
PHE
A
323
L
H
CA
SER
V
94
R
-
CE1
PHE
A
323
L
H
C
SER
V
94
R
-
CE1
PHE
A
323
L
H
CB
SER
V
94
R
-
CE1
PHE
A
323
L
H
O
SER
V
94
R
-
CE1
PHE
A
323
L
H
HA
SER
V
94
R
-
CE1
PHE
A
323
L
H
HB2
SER
V
94
R
-
CE1
PHE
A
323
L
H
HB3
SER
V
94
R
-
CE2
PHE
A
323
L
H
HA
SER
V
94
R
-
CZ
PHE
A
323
L
H
O
ALA
V
93
R
-
CZ
PHE
A
323
L
H
N
SER
V
94
R
-
CZ
PHE
A
323
L
H
CA
SER
V
94
R
-
CZ
PHE
A
323
L
H
C
SER
V
94
R
-
CZ
PHE
A
323
L
H
CB
SER
V
94
R
-
CZ
PHE
A
323
L
H
O
SER
V
94
R
-
CZ
PHE
A
323
L
H
HA
SER
V
94
R
-
CZ
PHE
A
323
L
H
HB2
SER
V
94
R
-
CZ
PHE
A
323
L
H
HB3
SER
V
94
R
-
N
ALA
A
324
L
-
OE1
GLU
V
96
R
-
CA
ALA
A
324
L
-
OE1
GLU
V
96
R
-
C
ALA
A
324
L
-
OE1
GLU
V
96
R
-
O
ALA
A
324
L
-
CD
GLU
V
96
R
-
O
ALA
A
324
L
-
OE1
GLU
V
96
R
-
O
ALA
A
324
L
-
OE2
GLU
V
96
R
-
N
PHE
A
325
L
-
OE1
GLU
V
96
R
-
CD1
PHE
A
325
L
H
HB3
ARG
V
32
R
-
CD1
PHE
A
325
L
H
HD2
ARG
V
36
R
-
CD1
PHE
A
325
L
H
HH11
ARG
V
36
R
-
CE1
PHE
A
325
L
H
CB
ARG
V
32
R
-
CE1
PHE
A
325
L
H
O
ARG
V
32
R
-
CE1
PHE
A
325
L
H
HB3
ARG
V
32
R
-
CE1
PHE
A
325
L
H
HB2
ARG
V
36
R
-
CE1
PHE
A
325
L
H
HD2
ARG
V
36
R
-
CE2
PHE
A
325
L
-
HG2
GLU
V
96
R
-
CE2
PHE
A
325
L
H
OE1
GLN
V
99
R
-
CE2
PHE
A
325
L
H
HE22
GLN
V
99
R
-
CZ
PHE
A
325
L
H
HB3
ARG
V
32
R
-
CZ
PHE
A
325
L
H
HB2
ARG
V
36
R
-
CZ
PHE
A
325
L
H
OE1
GLN
V
99
R
-
CZ
PHE
A
325
L
H
HE22
GLN
V
99
R
-
N
ASP
A
326
L
H
NH1
ARG
V
32
R
-
N
ASP
A
326
L
H
HD3
ARG
V
32
R
-
N
ASP
A
326
L
H
HH11
ARG
V
32
R
-
N
ASP
A
326
L
H
HH12
ARG
V
32
R
-
CA
ASP
A
326
L
H
NH1
ARG
V
32
R
-
CA
ASP
A
326
L
H
HH11
ARG
V
32
R
-
C
ASP
A
326
L
H
CD1
LEU
V
29
R
-
C
ASP
A
326
L
H
HD11
LEU
V
29
R
-
C
ASP
A
326
L
H
HD12
LEU
V
29
R
-
C
ASP
A
326
L
H
HD13
LEU
V
29
R
-
C
ASP
A
326
L
H
HH11
ARG
V
32
R
-
CB
ASP
A
326
L
H
NH1
ARG
V
32
R
-
CB
ASP
A
326
L
H
HD2
ARG
V
32
R
-
CB
ASP
A
326
L
H
HD3
ARG
V
32
R
-
CB
ASP
A
326
L
H
HH11
ARG
V
32
R
-
CB
ASP
A
326
L
H
HH12
ARG
V
32
R
-
O
ASP
A
326
L
H
CD1
LEU
V
29
R
-
O
ASP
A
326
L
H
HD11
LEU
V
29
R
-
O
ASP
A
326
L
H
HD12
LEU
V
29
R
-
O
ASP
A
326
L
H
HD13
LEU
V
29
R
-
O
ASP
A
326
L
H
HD3
ARG
V
32
R
-
O
ASP
A
326
L
H
HH11
ARG
V
32
R
-
CG
ASP
A
326
L
H
NH1
ARG
V
32
R
-
CG
ASP
A
326
L
H
HH11
ARG
V
32
R
-
CG
ASP
A
326
L
H
HH12
ARG
V
32
R
-
OD1
ASP
A
326
L
H
HH12
ARG
V
32
R
-
OD2
ASP
A
326
L
H
NH1
ARG
V
32
R
-
OD2
ASP
A
326
L
H
CZ
ARG
V
32
R
-
OD2
ASP
A
326
L
H
HH11
ARG
V
32
R
-
OD2
ASP
A
326
L
H
HH12
ARG
V
32
R
-
OD2
ASP
A
326
L
H
HH22
ARG
V
32
R
-
N
LEU
A
327
L
H
HD12
LEU
V
29
R
-
N
LEU
A
327
L
H
HD13
LEU
V
29
R
-
CA
LEU
A
327
L
H
CD1
LEU
V
29
R
-
CA
LEU
A
327
L
H
HD12
LEU
V
29
R
-
CA
LEU
A
327
L
H
HD13
LEU
V
29
R
-
C
LEU
A
327
L
H
CD1
LEU
V
29
R
-
C
LEU
A
327
L
H
HD12
LEU
V
29
R
-
C
LEU
A
327
L
H
HD13
LEU
V
29
R
-
CD2
LEU
A
327
L
H
CD2
LEU
V
33
R
-
CD2
LEU
A
327
L
H
HD21
LEU
V
33
R
-
CD2
LEU
A
327
L
H
HD23
LEU
V
33
R
-
N
SER
A
328
L
H
CG
LEU
V
29
R
-
N
SER
A
328
L
H
CD1
LEU
V
29
R
-
N
SER
A
328
L
H
CD2
LEU
V
29
R
-
N
SER
A
328
L
H
HD11
LEU
V
29
R
-
N
SER
A
328
L
H
HD12
LEU
V
29
R
-
N
SER
A
328
L
H
HD13
LEU
V
29
R
-
N
SER
A
328
L
H
HD22
LEU
V
29
R
-
N
SER
A
328
L
H
HD23
LEU
V
29
R
-
CA
SER
A
328
L
H
CG
LEU
V
29
R
-
CA
SER
A
328
L
H
CD1
LEU
V
29
R
-
CA
SER
A
328
L
H
CD2
LEU
V
29
R
-
CA
SER
A
328
L
H
HD12
LEU
V
29
R
-
CA
SER
A
328
L
H
HD13
LEU
V
29
R
-
CA
SER
A
328
L
H
HD21
LEU
V
29
R
-
CA
SER
A
328
L
H
HD22
LEU
V
29
R
-
CA
SER
A
328
L
H
HD23
LEU
V
29
R
-
C
SER
A
328
L
H
CB
LEU
V
29
R
-
C
SER
A
328
L
H
CG
LEU
V
29
R
-
C
SER
A
328
L
H
CD1
LEU
V
29
R
-
C
SER
A
328
L
H
CD2
LEU
V
29
R
-
C
SER
A
328
L
H
HB2
LEU
V
29
R
-
C
SER
A
328
L
H
HG
LEU
V
29
R
-
C
SER
A
328
L
H
HD12
LEU
V
29
R
-
C
SER
A
328
L
H
HD13
LEU
V
29
R
-
C
SER
A
328
L
H
HD21
LEU
V
29
R
-
C
SER
A
328
L
H
HD22
LEU
V
29
R
-
C
SER
A
328
L
H
HD23
LEU
V
29
R
-
CB
SER
A
328
L
H
CD2
LEU
V
29
R
-
CB
SER
A
328
L
H
HD12
LEU
V
29
R
-
CB
SER
A
328
L
H
HD22
LEU
V
29
R
-
O
SER
A
328
L
H
CB
LEU
V
29
R
-
O
SER
A
328
L
H
CG
LEU
V
29
R
-
O
SER
A
328
L
H
CD1
LEU
V
29
R
-
O
SER
A
328
L
H
CD2
LEU
V
29
R
-
O
SER
A
328
L
H
HB2
LEU
V
29
R
-
O
SER
A
328
L
H
HB3
LEU
V
29
R
-
O
SER
A
328
L
H
HG
LEU
V
29
R
-
O
SER
A
328
L
H
HD11
LEU
V
29
R
-
O
SER
A
328
L
H
HD12
LEU
V
29
R
-
O
SER
A
328
L
H
HD13
LEU
V
29
R
-
O
SER
A
328
L
H
HD21
LEU
V
29
R
-
O
SER
A
328
L
H
HD22
LEU
V
29
R
-
O
SER
A
328
L
H
HD23
LEU
V
29
R
-
OG
SER
A
328
L
H
CD2
LEU
V
29
R
-
OG
SER
A
328
L
H
HD22
LEU
V
29
R
-
N
SER
A
329
L
H
CG
LEU
V
29
R
-
N
SER
A
329
L
H
CD2
LEU
V
29
R
-
N
SER
A
329
L
H
HD13
LEU
V
29
R
-
N
SER
A
329
L
H
HD21
LEU
V
29
R
-
N
SER
A
329
L
H
HD22
LEU
V
29
R
-
N
SER
A
329
L
H
HD23
LEU
V
29
R
-
CA
SER
A
329
L
H
CD2
LEU
V
29
R
-
CA
SER
A
329
L
H
HD21
LEU
V
29
R
-
CA
SER
A
329
L
H
HD22
LEU
V
29
R
-
CA
SER
A
329
L
H
HD23
LEU
V
29
R
-
C
SER
A
329
L
H
HD23
LEU
V
29
R
-
CB
SER
A
329
L
H
CG
LEU
V
29
R
-
CB
SER
A
329
L
H
CD2
LEU
V
29
R
-
CB
SER
A
329
L
H
HG
LEU
V
29
R
-
CB
SER
A
329
L
H
HD21
LEU
V
29
R
-
CB
SER
A
329
L
H
HD22
LEU
V
29
R
-
CB
SER
A
329
L
H
HD23
LEU
V
29
R
-
OG
SER
A
329
L
H
HG3
ARG
V
26
R
-
OG
SER
A
329
L
H
CB
LEU
V
29
R
-
OG
SER
A
329
L
H
CG
LEU
V
29
R
-
OG
SER
A
329
L
H
CD2
LEU
V
29
R
-
OG
SER
A
329
L
H
HB3
LEU
V
29
R
-
OG
SER
A
329
L
H
HG
LEU
V
29
R
-
OG
SER
A
329
L
H
HD21
LEU
V
29
R
-
OG
SER
A
329
L
H
HD22
LEU
V
29
R
-
OG
SER
A
329
L
H
HD23
LEU
V
29
R
-
CB
SER
A
686
L
H
HB3
GLN
V
337
R
-
OG
SER
A
686
L
H
CB
GLN
V
337
R
-
OG
SER
A
686
L
H
OE1
GLN
V
337
R
-
OG
SER
A
686
L
H
HB3
GLN
V
337
R
-
CB
ASP
A
687
L
H
HA2
GLY
V
341
R
-
CB
ASP
A
687
L
H
HA3
GLY
V
341
R
-
CB
ASP
A
687
L
H
HG2
GLN
V
345
R
-
O
ASP
A
687
L
H
HA
GLN
V
337
R
-
O
ASP
A
687
L
H
OE2
GLU
V
340
R
-
O
ASP
A
687
L
H
HB2
GLU
V
340
R
-
O
ASP
A
687
L
H
HB3
GLU
V
340
R
-
CG
ASP
A
687
L
H
HA2
GLY
V
341
R
-
CG
ASP
A
687
L
H
CG
GLN
V
345
R
-
CG
ASP
A
687
L
H
HG2
GLN
V
345
R
-
OD1
ASP
A
687
L
H
HG2
GLN
V
345
R
-
OD2
ASP
A
687
L
H
CA
GLY
V
341
R
-
OD2
ASP
A
687
L
H
HA2
GLY
V
341
R
-
OD2
ASP
A
687
L
H
HA3
GLY
V
341
R
-
OD2
ASP
A
687
L
H
CB
GLN
V
345
R
-
OD2
ASP
A
687
L
H
CG
GLN
V
345
R
-
OD2
ASP
A
687
L
H
HB2
GLN
V
345
R
-
OD2
ASP
A
687
L
H
HB3
GLN
V
345
R
-
OD2
ASP
A
687
L
H
HG2
GLN
V
345
R
-
OD2
ASP
A
687
L
H
HG3
GLN
V
345
R
-
N
THR
A
689
L
H
OE2
GLU
V
340
R
-
N
THR
A
689
L
H
HB3
GLU
V
340
R
-
N
THR
A
689
L
H
HE21
GLN
V
345
R
-
CA
THR
A
689
L
H
HE21
GLN
V
345
R
-
CB
THR
A
689
L
H
HB3
GLU
V
340
R
-
CB
THR
A
689
L
H
HD1
TRP
V
344
R
-
CB
THR
A
689
L
H
HE1
TRP
V
344
R
-
CB
THR
A
689
L
H
NE2
GLN
V
345
R
-
CB
THR
A
689
L
H
HE21
GLN
V
345
R
-
CB
THR
A
689
L
H
HE22
GLN
V
345
R
-
O
THR
A
689
L
H
CD
GLU
V
340
R
-
O
THR
A
689
L
H
OE1
GLU
V
340
R
-
O
THR
A
689
L
H
OE2
GLU
V
340
R
-
O
THR
A
689
L
H
HG2
GLU
V
340
R
-
CG2
THR
A
689
L
H
CD1
TRP
V
344
R
-
CG2
THR
A
689
L
H
NE1
TRP
V
344
R
-
CG2
THR
A
689
L
H
HD1
TRP
V
344
R
-
CG2
THR
A
689
L
H
HE1
TRP
V
344
R
-
CG2
THR
A
689
L
H
NE2
GLN
V
345
R
-
CG2
THR
A
689
L
H
HE21
GLN
V
345
R
-
CG2
THR
A
689
L
H
HE22
GLN
V
345
R
-
OG1
THR
A
689
L
H
HB3
GLU
V
340
R
-
OG1
THR
A
689
L
H
HD1
TRP
V
344
R
-
OG1
THR
A
689
L
H
CG
GLN
V
345
R
-
OG1
THR
A
689
L
H
CD
GLN
V
345
R
-
OG1
THR
A
689
L
H
NE2
GLN
V
345
R
-
OG1
THR
A
689
L
H
HG2
GLN
V
345
R
-
OG1
THR
A
689
L
H
HG3
GLN
V
345
R
-
OG1
THR
A
689
L
H
HE21
GLN
V
345
R
-
OG1
THR
A
689
L
H
HE22
GLN
V
345
R
-
CB
GLN
A
691
L
H
OD1
ASP
V
295
R
-
O
GLN
A
691
L
H
CG
GLN
V
298
R
-
O
GLN
A
691
L
H
HB2
GLN
V
298
R
-
O
GLN
A
691
L
H
HG2
GLN
V
298
R
-
O
GLN
A
691
L
H
HZ1
LYS
V
336
R
-
CD
GLN
A
691
L
H
HA
ALA
V
291
R
-
CD
GLN
A
691
L
H
HB1
ALA
V
291
R
-
CD
GLN
A
691
L
H
HD11
LEU
V
294
R
-
CD
GLN
A
691
L
H
HD13
LEU
V
294
R
-
CD
GLN
A
691
L
H
CE2
TRP
V
344
R
-
CD
GLN
A
691
L
H
NE1
TRP
V
344
R
-
CD
GLN
A
691
L
H
CZ2
TRP
V
344
R
-
CD
GLN
A
691
L
H
HZ2
TRP
V
344
R
-
CD
GLN
A
691
L
H
HE1
TRP
V
344
R
-
NE2
GLN
A
691
L
H
HA
ALA
V
291
R
-
NE2
GLN
A
691
L
H
HB1
ALA
V
291
R
-
NE2
GLN
A
691
L
H
HB3
ALA
V
291
R
-
NE2
GLN
A
691
L
H
CD2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
CE2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
NE1
TRP
V
344
R
-
NE2
GLN
A
691
L
H
CH2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
CZ2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
HH2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
HZ2
TRP
V
344
R
-
NE2
GLN
A
691
L
H
HE1
TRP
V
344
R
-
OE1
GLN
A
691
L
H
CA
ALA
V
291
R
-
OE1
GLN
A
691
L
H
CB
ALA
V
291
R
-
OE1
GLN
A
691
L
H
O
ALA
V
291
R
-
OE1
GLN
A
691
L
H
HA
ALA
V
291
R
-
OE1
GLN
A
691
L
H
HB1
ALA
V
291
R
-
OE1
GLN
A
691
L
H
HB3
ALA
V
291
R
-
OE1
GLN
A
691
L
H
CB
LEU
V
294
R
-
OE1
GLN
A
691
L
H
CD1
LEU
V
294
R
-
OE1
GLN
A
691
L
H
HB2
LEU
V
294
R
-
OE1
GLN
A
691
L
H
HB3
LEU
V
294
R
-
OE1
GLN
A
691
L
H
HD11
LEU
V
294
R
-
OE1
GLN
A
691
L
H
HD13
LEU
V
294
R
-
CA
SER
A
692
L
H
HG2
GLN
V
298
R
-
C
SER
A
692
L
H
OD1
ASP
V
295
R
-
C
SER
A
692
L
H
HG2
GLN
V
298
R
-
O
SER
A
692
L
H
CG
ASP
V
295
R
-
O
SER
A
692
L
H
OD1
ASP
V
295
R
-
O
SER
A
692
L
H
HA
ASP
V
295
R
-
N
PRO
A
693
L
H
HG2
GLN
V
298
R
-
CA
PRO
A
693
L
H
HA
ASP
V
295
R
-
CA
PRO
A
693
L
H
HB3
ASP
V
295
R
-
CA
PRO
A
693
L
H
HB3
GLN
V
298
R
-
CA
PRO
A
693
L
H
HG2
GLN
V
298
R
-
CA
PRO
A
693
L
H
HG3
GLN
V
298
R
-
C
PRO
A
693
L
H
HB3
ASP
V
295
R
-
CB
PRO
A
693
L
H
CG
GLN
V
298
R
-
CB
PRO
A
693
L
H
HB3
GLN
V
298
R
-
CB
PRO
A
693
L
H
HG2
GLN
V
298
R
-
CB
PRO
A
693
L
H
HG3
GLN
V
298
R
-
N
HIS
A
694
L
H
CA
ASP
V
295
R
-
N
HIS
A
694
L
H
C
ASP
V
295
R
-
N
HIS
A
694
L
H
CB
ASP
V
295
R
-
N
HIS
A
694
L
H
O
ASP
V
295
R
-
N
HIS
A
694
L
H
CG
ASP
V
295
R
-
N
HIS
A
694
L
H
HA
ASP
V
295
R
-
N
HIS
A
694
L
H
HB3
ASP
V
295
R
-
N
HIS
A
694
L
H
HB3
ALA
V
299
R
-
CA
HIS
A
694
L
H
CB
ASP
V
295
R
-
CA
HIS
A
694
L
H
HB3
ASP
V
295
R
-
CA
HIS
A
694
L
H
HB3
ALA
V
299
R
-
C
HIS
A
694
L
H
O
ASP
V
295
R
-
C
HIS
A
694
L
H
HB3
ASP
V
295
R
-
C
HIS
A
694
L
H
HA
ASN
V
296
R
-
C
HIS
A
694
L
H
CB
ALA
V
299
R
-
C
HIS
A
694
L
H
HB1
ALA
V
299
R
-
C
HIS
A
694
L
H
HB2
ALA
V
299
R
-
C
HIS
A
694
L
H
HB3
ALA
V
299
R
-
CB
HIS
A
694
L
H
CB
ASP
V
295
R
-
CB
HIS
A
694
L
H
HB2
ASP
V
295
R
-
CB
HIS
A
694
L
H
HB3
ASP
V
295
R
-
O
HIS
A
694
L
H
C
ASP
V
295
R
-
O
HIS
A
694
L
H
O
ASP
V
295
R
-
O
HIS
A
694
L
H
HB3
ASP
V
295
R
-
O
HIS
A
694
L
H
N
ASN
V
296
R
-
O
HIS
A
694
L
H
CA
ASN
V
296
R
-
O
HIS
A
694
L
H
OD1
ASN
V
296
R
-
O
HIS
A
694
L
H
HA
ASN
V
296
R
-
O
HIS
A
694
L
H
CB
ALA
V
299
R
-
O
HIS
A
694
L
H
H
ALA
V
299
R
-
O
HIS
A
694
L
H
HB1
ALA
V
299
R
-
O
HIS
A
694
L
H
HB2
ALA
V
299
R
-
O
HIS
A
694
L
H
HB3
ALA
V
299
R
-
CG
HIS
A
694
L
H
CB
ASP
V
295
R
-
CG
HIS
A
694
L
H
HB3
ASP
V
295
R
-
CD2
HIS
A
694
L
H
CB
ASP
V
295
R
-
CD2
HIS
A
694
L
H
CG
ASP
V
295
R
-
CD2
HIS
A
694
L
H
OD2
ASP
V
295
R
-
CD2
HIS
A
694
L
H
HB2
ASP
V
295
R
-
CD2
HIS
A
694
L
H
HB3
ASP
V
295
R
-
N
SER
A
695
L
H
CB
ALA
V
299
R
-
N
SER
A
695
L
H
HB1
ALA
V
299
R
-
N
SER
A
695
L
H
HB2
ALA
V
299
R
-
N
SER
A
695
L
H
HB3
ALA
V
299
R
-
CA
SER
A
695
L
H
CB
ALA
V
299
R
-
CA
SER
A
695
L
H
HB1
ALA
V
299
R
-
CA
SER
A
695
L
H
HB3
ALA
V
299
R
-
C
SER
A
695
L
H
CB
ALA
V
299
R
-
C
SER
A
695
L
H
HB1
ALA
V
299
R
-
C
SER
A
695
L
H
HB2
ALA
V
299
R
-
C
SER
A
695
L
H
HB3
ALA
V
299
R
-
O
SER
A
695
L
H
HB1
ALA
V
299
R
-
N
LEU
A
696
L
H
CB
ALA
V
299
R
-
N
LEU
A
696
L
H
HB1
ALA
V
299
R
-
N
LEU
A
696
L
H
HB2
ALA
V
299
R
-
N
LEU
A
696
L
H
HB3
ALA
V
299
R
-
CA
LEU
A
696
L
H
HB1
ALA
V
299
R
-
CB
LEU
A
696
L
H
HB1
ALA
V
299
R
-
CG
LEU
A
696
L
H
C
ALA
V
299
R
-
CG
LEU
A
696
L
H
O
ALA
V
299
R
-
CG
LEU
A
696
L
H
HB1
ALA
V
299
R
-
CG
LEU
A
696
L
H
HA
PHE
V
300
R
-
CG
LEU
A
696
L
-
HB2
PHE
V
303
R
-
CD1
LEU
A
696
L
H
C
ALA
V
299
R
-
CD1
LEU
A
696
L
H
O
ALA
V
299
R
-
CD1
LEU
A
696
L
H
HB1
ALA
V
299
R
-
CD1
LEU
A
696
L
H
HA
PHE
V
300
R
-
CD1
LEU
A
696
L
H
HB2
TYR
V
302
R
-
CD1
LEU
A
696
L
-
CB
PHE
V
303
R
-
CD1
LEU
A
696
L
-
H
PHE
V
303
R
-
CD1
LEU
A
696
L
-
HB2
PHE
V
303
R
-
CD2
LEU
A
696
L
H
O
ALA
V
299
R
-
CD2
LEU
A
696
L
H
HA
PHE
V
300
R
-
CD2
LEU
A
696
L
-
HB2
PHE
V
303
R
-
CD2
LEU
A
696
L
-
HB3
PHE
V
303
R
-
OD2
ASP
A
699
L
-
HE1
PHE
V
303
R
-
C
SER
A
704
L
H
HE1
PHE
V
456
R
-
CB
SER
A
704
L
H
HE1
PHE
V
456
R
-
O
SER
A
704
L
H
CD1
PHE
V
456
R
-
O
SER
A
704
L
H
CE1
PHE
V
456
R
-
O
SER
A
704
L
H
CZ
PHE
V
456
R
-
O
SER
A
704
L
H
HD1
PHE
V
456
R
-
O
SER
A
704
L
H
HE1
PHE
V
456
R
-
O
SER
A
704
L
H
HZ
PHE
V
456
R
-
OG
SER
A
704
L
H
HE1
PHE
V
456
R
-
OG
SER
A
704
L
H
HZ
PHE
V
456
R
-
CB
HIS
A
705
L
H
HG3
GLU
V
453
R
-
CG
HIS
A
705
L
H
HG3
GLU
V
453
R
-
ND1
HIS
A
705
L
H
CG
GLU
V
453
R
-
ND1
HIS
A
705
L
H
CD
GLU
V
453
R
-
ND1
HIS
A
705
L
H
OE1
GLU
V
453
R
-
ND1
HIS
A
705
L
H
HG2
GLU
V
453
R
-
ND1
HIS
A
705
L
H
HG3
GLU
V
453
R
-
CE1
HIS
A
705
L
H
OE1
GLU
V
453
R
-
CE1
HIS
A
705
L
H
HG2
GLU
V
453
R
-
CE1
HIS
A
705
L
H
HG3
GLU
V
453
R
-
CB
LEU
A
706
L
-
O
HIS
V
448
R
-
CB
LEU
A
706
L
-
HA
HIS
V
449
R
-
O
LEU
A
706
L
-
O
VAL
V
451
R
-
O
LEU
A
706
L
H
N
GLU
V
453
R
-
O
LEU
A
706
L
H
CA
GLU
V
453
R
-
O
LEU
A
706
L
H
H
GLU
V
453
R
-
O
LEU
A
706
L
H
HA
GLU
V
453
R
-
O
LEU
A
706
L
H
HB2
GLU
V
453
R
-
O
LEU
A
706
L
H
HG3
GLU
V
453
R
-
CG
LEU
A
706
L
-
HA
HIS
V
449
R
-
CD1
LEU
A
706
L
-
HD13
LEU
V
446
R
-
CD1
LEU
A
706
L
-
C
HIS
V
448
R
-
CD1
LEU
A
706
L
-
CB
HIS
V
448
R
-
CD1
LEU
A
706
L
-
O
HIS
V
448
R
-
CD1
LEU
A
706
L
-
HB2
HIS
V
448
R
-
CD1
LEU
A
706
L
-
HB3
HIS
V
448
R
-
CD1
LEU
A
706
L
-
N
HIS
V
449
R
-
CD1
LEU
A
706
L
-
HA
HIS
V
449
R
-
CD1
LEU
A
706
L
H
CE2
PHE
V
456
R
-
CD2
LEU
A
706
L
H
HB2
MET
V
443
R
-
CD2
LEU
A
706
L
-
HB2
LEU
V
446
R
-
CD2
LEU
A
706
L
-
HD11
LEU
V
446
R
-
CD2
LEU
A
706
L
-
N
HIS
V
449
R
-
CD2
LEU
A
706
L
-
CA
HIS
V
449
R
-
CD2
LEU
A
706
L
-
CB
HIS
V
449
R
-
CD2
LEU
A
706
L
-
CD2
HIS
V
449
R
-
CD2
LEU
A
706
L
-
HA
HIS
V
449
R
-
CD2
LEU
A
706
L
-
HB3
HIS
V
449
R
-
CD2
LEU
A
706
L
-
HD2
HIS
V
449
R
-
CB
CYS
A
707
L
H
HB2
GLU
V
453
R
-
SG
CYS
A
707
L
-
HA
PRO
V
452
R
-
SG
CYS
A
707
L
H
N
GLU
V
453
R
-
SG
CYS
A
707
L
H
CA
GLU
V
453
R
-
SG
CYS
A
707
L
H
CB
GLU
V
453
R
-
SG
CYS
A
707
L
H
H
GLU
V
453
R
-
SG
CYS
A
707
L
H
HB2
GLU
V
453
R
-
SG
CYS
A
707
L
H
HB3
GLU
V
453
R
-
N
PRO
A
708
L
-
O
HIS
V
449
R
-
CA
PRO
A
708
L
-
O
HIS
V
449
R
-
CB
PRO
A
708
L
-
C
HIS
V
449
R
-
CB
PRO
A
708
L
-
O
HIS
V
449
R
-
CB
PRO
A
708
L
-
CA
HIS
V
450
R
-
CB
PRO
A
708
L
-
HA
HIS
V
450
R
-
CG
PRO
A
708
L
-
O
HIS
V
449
R
-
CG
PRO
A
708
L
-
CA
HIS
V
450
R
-
CG
PRO
A
708
L
-
C
HIS
V
450
R
-
CG
PRO
A
708
L
-
O
HIS
V
450
R
-
CG
PRO
A
708
L
-
HA
HIS
V
450
R
-
CG
PRO
A
708
L
-
N
VAL
V
451
R
-
CG
PRO
A
708
L
-
C
VAL
V
451
R
-
CG
PRO
A
708
L
-
O
VAL
V
451
R
-
CG
PRO
A
708
L
-
HA
PRO
V
452
R
-
CD
PRO
A
708
L
-
HA
PRO
V
452
R
-
N
LEU
A
709
L
-
HE1
HIS
V
449
R
-
CB
LEU
A
709
L
-
HE1
HIS
V
449
R
-
CG
LEU
A
709
L
-
CE1
HIS
V
449
R
-
CG
LEU
A
709
L
-
HE1
HIS
V
449
R
-
CD1
LEU
A
709
L
-
ND1
HIS
V
449
R
-
CD1
LEU
A
709
L
-
CE1
HIS
V
449
R
-
CD1
LEU
A
709
L
-
HE1
HIS
V
449
R
-
CD1
LEU
A
709
L
-
HE1
HIS
V
450
R
-
CD2
LEU
A
709
L
-
HE1
HIS
V
449