(Set pks_1) Q9NQA5_Q13698.1
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
-
CYS
A
1743
L
-
CYS
V
611
R
-
PRO
A
1744
L
-
CYS
V
611
R
-
PRO
A
1744
L
-
LEU
V
612
R
-
ARG
A
1745
L
-
PRO
V
609
R
-
ARG
A
1745
L
-
CYS
V
611
R
-
ARG
A
1745
L
-
LEU
V
612
R
-
VAL
A
1746
L
-
LEU
V
612
R
-
GLU
A
1747
L
-
PRO
V
609
R
-
SER
A
1748
L
H
ILE
V
398
R
-
SER
A
1749
L
H
VAL
V
394
R
-
SER
A
1749
L
H
ILE
V
398
R
-
MET
A
1750
L
H
VAL
V
394
R
-
MET
A
1750
L
H
ILE
V
398
R
-
PRO
A
1751
L
H
ILE
V
393
R
-
PRO
A
1751
L
H
VAL
V
394
R
-
PRO
A
1751
L
H
VAL
V
397
R
-
PRO
A
1751
L
H
ILE
V
398
R
-
PRO
A
1751
L
H
LEU
V
401
R
-
GLU
A
1752
L
H
VAL
V
397
R
-
ASP
A
1753
L
H
VAL
V
397
R
-
ASP
A
1753
L
H
LEU
V
437
R
-
ASP
A
1753
L
H
MET
V
440
R
-
ARG
A
1754
L
H
LEU
V
437
R
-
ARG
A
1754
L
H
MET
V
440
R
-
LYS
A
1755
L
H
SER
V
434
R
-
LYS
A
1755
L
H
LEU
V
437
R
-
LYS
A
1755
L
H
VAL
V
438
R
-
LYS
A
1755
L
H
VAL
V
441
R
-
SER
A
1756
L
H
SER
V
434
R
-
SER
A
1756
L
H
LEU
V
437
R
-
SER
A
1756
L
H
VAL
V
438
R
-
SER
A
1757
L
H
THR
V
431
R
-
SER
A
1757
L
H
SER
V
434
R
-
SER
A
1757
L
H
VAL
V
438
R
-
THR
A
1758
L
H
THR
V
431
R
-
THR
A
1758
L
H
SER
V
434
R
-
THR
A
1758
L
H
LEU
V
435
R
-
PRO
A
1759
L
H
VAL
V
427
R
-
PRO
A
1759
L
H
ILE
V
428
R
-
PRO
A
1759
L
H
THR
V
431
R
-
PRO
A
1759
L
H
LEU
V
460
R
-
GLY
A
1760
L
H
ILE
V
428
R
-
GLY
A
1760
L
H
THR
V
431
R
-
GLY
A
1760
L
H
LEU
V
460
R
-
SER
A
1761
L
H
ILE
V
428
R
-
SER
A
1761
L
H
LEU
V
460
R
-
SER
A
1761
L
H
CYS
V
463
R
-
LEU
A
1762
L
H
VAL
V
459
R
-
LEU
A
1762
L
H
CYS
V
463
R
-
LEU
A
1762
L
H
MET
V
466
R
-
LEU
A
1762
L
H
ILE
V
482
R
-
LEU
A
1762
L
H
ILE
V
486
R
-
HIS
A
1763
L
H
VAL
V
459
R
-
HIS
A
1763
L
H
CYS
V
463
R
-
GLU
A
1764
L
H
VAL
V
459
R
-
HIS
A
1768
L
H
VAL
V
451
R
-
SER
A
1769
L
-
THR
V
366
R
-
SER
A
1769
L
H
VAL
V
451
R
-
ARG
A
1770
L
-
THR
V
366
R
-
ARG
A
1770
L
H
MET
V
442
R
-
ARG
A
1770
L
-
ASN
V
448
R
-
ARG
A
1770
L
-
GLY
V
449
R
-
ARG
A
1770
L
-
GLU
V
450
R
-
ARG
A
1770
L
H
VAL
V
451
R
-
ARG
A
1770
L
H
VAL
V
452
R
-
SER
A
1771
L
-
THR
V
366
R
-
THR
A
1772
L
-
ASN
V
448
R
-
ARG
A
1773
L
-
ARG
V
355
R
-
ARG
A
1773
L
-
THR
V
360
R
H
ARG
A
1794
L
-
GLU
V
378
R
H
ARG
A
1794
L
-
THR
V
379
R
-
GLY
A
1798
L
S
PHE
V
354
R
-
LEU
A
1846
L
H
VAL
V
394
(Set pks_1) Q9NQA5_Q13698.1
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
CYS
A
1743
L
-
CB
CYS
V
611
R
-
CB
CYS
A
1743
L
-
HB2
CYS
V
611
R
-
CB
CYS
A
1743
L
-
HB3
CYS
V
611
R
-
SG
CYS
A
1743
L
-
CB
CYS
V
611
R
-
SG
CYS
A
1743
L
-
HB2
CYS
V
611
R
-
SG
CYS
A
1743
L
-
HB3
CYS
V
611
R
-
CA
PRO
A
1744
L
-
HB2
CYS
V
611
R
-
CA
PRO
A
1744
L
-
HG
CYS
V
611
R
-
C
PRO
A
1744
L
-
HD22
LEU
V
612
R
-
CB
PRO
A
1744
L
-
C
CYS
V
611
R
-
CB
PRO
A
1744
L
-
CB
CYS
V
611
R
-
CB
PRO
A
1744
L
-
O
CYS
V
611
R
-
CB
PRO
A
1744
L
-
SG
CYS
V
611
R
-
CB
PRO
A
1744
L
-
HB2
CYS
V
611
R
-
CB
PRO
A
1744
L
-
HG
CYS
V
611
R
-
CB
PRO
A
1744
L
-
CD2
LEU
V
612
R
-
CB
PRO
A
1744
L
-
HA
LEU
V
612
R
-
CB
PRO
A
1744
L
-
HD21
LEU
V
612
R
-
CB
PRO
A
1744
L
-
HD22
LEU
V
612
R
-
CG
PRO
A
1744
L
-
O
CYS
V
611
R
-
CG
PRO
A
1744
L
-
HB2
CYS
V
611
R
-
CG
PRO
A
1744
L
-
HD21
LEU
V
612
R
-
N
ARG
A
1745
L
-
CD2
LEU
V
612
R
-
N
ARG
A
1745
L
-
HD21
LEU
V
612
R
-
N
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
CA
ARG
A
1745
L
-
CD2
LEU
V
612
R
-
CA
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
C
ARG
A
1745
L
-
CD2
LEU
V
612
R
-
C
ARG
A
1745
L
-
HD13
LEU
V
612
R
-
C
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
C
ARG
A
1745
L
-
HD23
LEU
V
612
R
-
CB
ARG
A
1745
L
-
HG
CYS
V
611
R
-
CB
ARG
A
1745
L
-
CD2
LEU
V
612
R
-
CB
ARG
A
1745
L
-
HG
LEU
V
612
R
-
CB
ARG
A
1745
L
-
HD13
LEU
V
612
R
-
CB
ARG
A
1745
L
-
HD21
LEU
V
612
R
-
CB
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
O
ARG
A
1745
L
-
CG
LEU
V
612
R
-
O
ARG
A
1745
L
-
CD1
LEU
V
612
R
-
O
ARG
A
1745
L
-
CD2
LEU
V
612
R
-
O
ARG
A
1745
L
-
HG
LEU
V
612
R
-
O
ARG
A
1745
L
-
HD12
LEU
V
612
R
-
O
ARG
A
1745
L
-
HD13
LEU
V
612
R
-
O
ARG
A
1745
L
-
HD21
LEU
V
612
R
-
O
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
O
ARG
A
1745
L
-
HD23
LEU
V
612
R
-
CG
ARG
A
1745
L
-
HG
CYS
V
611
R
-
CG
ARG
A
1745
L
-
HD13
LEU
V
612
R
-
CG
ARG
A
1745
L
-
HD22
LEU
V
612
R
-
CD
ARG
A
1745
L
-
CG
PRO
V
609
R
-
CD
ARG
A
1745
L
-
HG2
PRO
V
609
R
-
CD
ARG
A
1745
L
-
HG3
PRO
V
609
R
-
CD
ARG
A
1745
L
-
SG
CYS
V
611
R
-
CD
ARG
A
1745
L
-
HG
CYS
V
611
R
-
NE
ARG
A
1745
L
-
HG2
PRO
V
609
R
-
NH1
ARG
A
1745
L
-
HB2
PRO
V
609
R
-
NH1
ARG
A
1745
L
-
HB3
PRO
V
609
R
-
NH1
ARG
A
1745
L
-
HG2
PRO
V
609
R
-
CZ
ARG
A
1745
L
-
HG2
PRO
V
609
R
-
N
VAL
A
1746
L
-
HD22
LEU
V
612
R
-
OE2
GLU
A
1747
L
-
HG2
PRO
V
609
R
-
CB
SER
A
1748
L
H
HD13
ILE
V
398
R
-
OG
SER
A
1748
L
H
CD1
ILE
V
398
R
-
OG
SER
A
1748
L
H
HG12
ILE
V
398
R
-
OG
SER
A
1748
L
H
HG22
ILE
V
398
R
-
OG
SER
A
1748
L
H
HD11
ILE
V
398
R
-
OG
SER
A
1748
L
H
HD12
ILE
V
398
R
-
OG
SER
A
1748
L
H
HD13
ILE
V
398
R
-
N
SER
A
1749
L
H
HD11
ILE
V
398
R
-
CA
SER
A
1749
L
H
HG12
VAL
V
394
R
-
CA
SER
A
1749
L
H
HD11
ILE
V
398
R
-
C
SER
A
1749
L
H
CG1
VAL
V
394
R
-
C
SER
A
1749
L
H
HG11
VAL
V
394
R
-
C
SER
A
1749
L
H
HG12
VAL
V
394
R
-
C
SER
A
1749
L
H
HG13
VAL
V
394
R
-
C
SER
A
1749
L
H
CD1
ILE
V
398
R
-
C
SER
A
1749
L
H
HD11
ILE
V
398
R
-
O
SER
A
1749
L
H
HD11
ILE
V
398
R
-
N
MET
A
1750
L
H
CG1
VAL
V
394
R
-
N
MET
A
1750
L
H
HG11
VAL
V
394
R
-
N
MET
A
1750
L
H
HG12
VAL
V
394
R
-
N
MET
A
1750
L
H
HG13
VAL
V
394
R
-
N
MET
A
1750
L
H
HD11
ILE
V
398
R
-
CA
MET
A
1750
L
H
CG1
VAL
V
394
R
-
CA
MET
A
1750
L
H
HG11
VAL
V
394
R
-
CA
MET
A
1750
L
H
HG12
VAL
V
394
R
-
CA
MET
A
1750
L
H
HG13
VAL
V
394
R
-
CA
MET
A
1750
L
H
HG22
VAL
V
394
R
-
CA
MET
A
1750
L
H
HD11
ILE
V
398
R
-
C
MET
A
1750
L
H
CG1
VAL
V
394
R
-
C
MET
A
1750
L
H
HA
VAL
V
394
R
-
C
MET
A
1750
L
H
HG11
VAL
V
394
R
-
C
MET
A
1750
L
H
HG12
VAL
V
394
R
-
C
MET
A
1750
L
H
HG13
VAL
V
394
R
-
C
MET
A
1750
L
H
HG22
VAL
V
394
R
-
C
MET
A
1750
L
H
HG13
ILE
V
398
R
-
C
MET
A
1750
L
H
HD11
ILE
V
398
R
-
CB
MET
A
1750
L
H
HG13
VAL
V
394
R
-
O
MET
A
1750
L
H
O
VAL
V
394
R
-
O
MET
A
1750
L
H
CG1
VAL
V
394
R
-
O
MET
A
1750
L
H
HG11
VAL
V
394
R
-
O
MET
A
1750
L
H
HG12
VAL
V
394
R
-
O
MET
A
1750
L
H
HG13
VAL
V
394
R
-
O
MET
A
1750
L
H
CG1
ILE
V
398
R
-
O
MET
A
1750
L
H
CD1
ILE
V
398
R
-
O
MET
A
1750
L
H
HG12
ILE
V
398
R
-
O
MET
A
1750
L
H
HG13
ILE
V
398
R
-
O
MET
A
1750
L
H
HD11
ILE
V
398
R
-
O
MET
A
1750
L
H
HD12
ILE
V
398
R
-
N
PRO
A
1751
L
H
HA
VAL
V
394
R
-
N
PRO
A
1751
L
H
HG13
VAL
V
394
R
-
N
PRO
A
1751
L
H
HG22
VAL
V
394
R
-
N
PRO
A
1751
L
H
CG1
VAL
V
397
R
-
N
PRO
A
1751
L
H
HB
VAL
V
397
R
-
N
PRO
A
1751
L
H
HG11
VAL
V
397
R
-
N
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
N
PRO
A
1751
L
H
HG13
ILE
V
398
R
-
CA
PRO
A
1751
L
H
HG13
VAL
V
394
R
-
CA
PRO
A
1751
L
H
HG22
VAL
V
394
R
-
CA
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
C
PRO
A
1751
L
H
HA
VAL
V
394
R
-
C
PRO
A
1751
L
H
HG22
VAL
V
394
R
-
C
PRO
A
1751
L
H
HB
VAL
V
397
R
-
C
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
C
PRO
A
1751
L
H
HG23
VAL
V
397
R
-
CB
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
O
PRO
A
1751
L
H
HG21
ILE
V
393
R
-
O
PRO
A
1751
L
H
CA
VAL
V
394
R
-
O
PRO
A
1751
L
H
CG2
VAL
V
394
R
-
O
PRO
A
1751
L
H
HA
VAL
V
394
R
-
O
PRO
A
1751
L
H
HG21
VAL
V
394
R
-
O
PRO
A
1751
L
H
HG22
VAL
V
394
R
-
O
PRO
A
1751
L
H
CG2
VAL
V
397
R
-
O
PRO
A
1751
L
H
HB
VAL
V
397
R
-
O
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
O
PRO
A
1751
L
H
HG23
VAL
V
397
R
-
CG
PRO
A
1751
L
H
CG1
VAL
V
397
R
-
CG
PRO
A
1751
L
H
HB
VAL
V
397
R
-
CG
PRO
A
1751
L
H
HG11
VAL
V
397
R
-
CG
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
CG
PRO
A
1751
L
H
HG13
VAL
V
397
R
-
CG
PRO
A
1751
L
H
CD1
LEU
V
401
R
-
CG
PRO
A
1751
L
H
HD11
LEU
V
401
R
-
CG
PRO
A
1751
L
H
HD12
LEU
V
401
R
-
CD
PRO
A
1751
L
H
HG13
VAL
V
394
R
-
CD
PRO
A
1751
L
H
CB
VAL
V
397
R
-
CD
PRO
A
1751
L
H
CG1
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HB
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HG11
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HG12
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HG13
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HG23
VAL
V
397
R
-
CD
PRO
A
1751
L
H
HG13
ILE
V
398
R
-
CD
PRO
A
1751
L
H
HD11
LEU
V
401
R
-
CD
PRO
A
1751
L
H
HD12
LEU
V
401
R
-
N
GLU
A
1752
L
H
HG12
VAL
V
397
R
-
N
GLU
A
1752
L
H
HG23
VAL
V
397
R
-
CA
GLU
A
1752
L
H
HG23
VAL
V
397
R
-
C
GLU
A
1752
L
H
CG2
VAL
V
397
R
-
C
GLU
A
1752
L
H
HG12
VAL
V
397
R
-
C
GLU
A
1752
L
H
HG22
VAL
V
397
R
-
C
GLU
A
1752
L
H
HG23
VAL
V
397
R
-
O
GLU
A
1752
L
H
CG1
VAL
V
397
R
-
O
GLU
A
1752
L
H
CG2
VAL
V
397
R
-
O
GLU
A
1752
L
H
HG12
VAL
V
397
R
-
O
GLU
A
1752
L
H
HG13
VAL
V
397
R
-
O
GLU
A
1752
L
H
HG22
VAL
V
397
R
-
O
GLU
A
1752
L
H
HG23
VAL
V
397
R
-
N
ASP
A
1753
L
H
HG23
VAL
V
397
R
-
CA
ASP
A
1753
L
H
HE1
MET
V
440
R
-
C
ASP
A
1753
L
H
CD2
LEU
V
437
R
-
C
ASP
A
1753
L
H
HD12
LEU
V
437
R
-
C
ASP
A
1753
L
H
HD22
LEU
V
437
R
-
C
ASP
A
1753
L
H
HE1
MET
V
440
R
-
O
ASP
A
1753
L
H
HG22
VAL
V
397
R
-
O
ASP
A
1753
L
H
CD1
LEU
V
437
R
-
O
ASP
A
1753
L
H
CD2
LEU
V
437
R
-
O
ASP
A
1753
L
H
HD12
LEU
V
437
R
-
O
ASP
A
1753
L
H
HD13
LEU
V
437
R
-
O
ASP
A
1753
L
H
HD22
LEU
V
437
R
-
O
ASP
A
1753
L
H
HD23
LEU
V
437
R
-
N
ARG
A
1754
L
H
HD22
LEU
V
437
R
-
N
ARG
A
1754
L
H
CE
MET
V
440
R
-
N
ARG
A
1754
L
H
HE1
MET
V
440
R
-
N
ARG
A
1754
L
H
HE3
MET
V
440
R
-
CA
ARG
A
1754
L
H
HB3
LEU
V
437
R
-
CA
ARG
A
1754
L
H
HD12
LEU
V
437
R
-
CA
ARG
A
1754
L
H
HD22
LEU
V
437
R
-
CA
ARG
A
1754
L
H
HE1
MET
V
440
R
-
C
ARG
A
1754
L
H
CB
LEU
V
437
R
-
C
ARG
A
1754
L
H
CD1
LEU
V
437
R
-
C
ARG
A
1754
L
H
HB3
LEU
V
437
R
-
C
ARG
A
1754
L
H
HD12
LEU
V
437
R
-
C
ARG
A
1754
L
H
HD22
LEU
V
437
R
-
O
ARG
A
1754
L
H
CD1
LEU
V
437
R
-
O
ARG
A
1754
L
H
HB3
LEU
V
437
R
-
O
ARG
A
1754
L
H
HD12
LEU
V
437
R
-
N
LYS
A
1755
L
H
CB
LEU
V
437
R
-
N
LYS
A
1755
L
H
HB2
LEU
V
437
R
-
N
LYS
A
1755
L
H
HB3
LEU
V
437
R
-
N
LYS
A
1755
L
H
HD12
LEU
V
437
R
-
N
LYS
A
1755
L
H
HD22
LEU
V
437
R
-
N
LYS
A
1755
L
H
CG2
VAL
V
441
R
-
N
LYS
A
1755
L
H
HG21
VAL
V
441
R
-
N
LYS
A
1755
L
H
HG22
VAL
V
441
R
-
CA
LYS
A
1755
L
H
HB2
LEU
V
437
R
-
CA
LYS
A
1755
L
H
HB3
LEU
V
437
R
-
CA
LYS
A
1755
L
H
HG22
VAL
V
441
R
-
C
LYS
A
1755
L
H
HB2
LEU
V
437
R
-
C
LYS
A
1755
L
H
HB3
LEU
V
437
R
-
C
LYS
A
1755
L
H
HG21
VAL
V
438
R
-
C
LYS
A
1755
L
H
HG23
VAL
V
438
R
-
CB
LYS
A
1755
L
H
HG22
VAL
V
441
R
-
O
LYS
A
1755
L
H
HB2
SER
V
434
R
-
O
LYS
A
1755
L
H
HB2
LEU
V
437
R
-
O
LYS
A
1755
L
H
HD11
LEU
V
437
R
-
O
LYS
A
1755
L
H
HD12
LEU
V
437
R
-
CG
LYS
A
1755
L
H
HG22
VAL
V
441
R
-
N
SER
A
1756
L
H
O
SER
V
434
R
-
N
SER
A
1756
L
H
HB2
SER
V
434
R
-
N
SER
A
1756
L
H
HB2
LEU
V
437
R
-
N
SER
A
1756
L
H
CG2
VAL
V
438
R
-
N
SER
A
1756
L
H
H
VAL
V
438
R
-
N
SER
A
1756
L
H
HA
VAL
V
438
R
-
N
SER
A
1756
L
H
HG21
VAL
V
438
R
-
N
SER
A
1756
L
H
HG22
VAL
V
438
R
-
N
SER
A
1756
L
H
HG23
VAL
V
438
R
-
CA
SER
A
1756
L
H
HB2
SER
V
434
R
-
CA
SER
A
1756
L
H
CG2
VAL
V
438
R
-
CA
SER
A
1756
L
H
HG21
VAL
V
438
R
-
CA
SER
A
1756
L
H
HG22
VAL
V
438
R
-
CA
SER
A
1756
L
H
HG23
VAL
V
438
R
-
C
SER
A
1756
L
H
CB
SER
V
434
R
-
C
SER
A
1756
L
H
O
SER
V
434
R
-
C
SER
A
1756
L
H
OG
SER
V
434
R
-
C
SER
A
1756
L
H
HB2
SER
V
434
R
-
C
SER
A
1756
L
H
HB3
SER
V
434
R
-
C
SER
A
1756
L
H
CG2
VAL
V
438
R
-
C
SER
A
1756
L
H
HG21
VAL
V
438
R
-
C
SER
A
1756
L
H
HG22
VAL
V
438
R
-
CB
SER
A
1756
L
H
HG23
VAL
V
438
R
-
O
SER
A
1756
L
H
CA
SER
V
434
R
-
O
SER
A
1756
L
H
CB
SER
V
434
R
-
O
SER
A
1756
L
H
OG
SER
V
434
R
-
O
SER
A
1756
L
H
HA
SER
V
434
R
-
O
SER
A
1756
L
H
HB2
SER
V
434
R
-
O
SER
A
1756
L
H
HB3
SER
V
434
R
-
N
SER
A
1757
L
H
CB
SER
V
434
R
-
N
SER
A
1757
L
H
OG
SER
V
434
R
-
N
SER
A
1757
L
H
HB2
SER
V
434
R
-
N
SER
A
1757
L
H
HG
SER
V
434
R
-
N
SER
A
1757
L
H
CG2
VAL
V
438
R
-
N
SER
A
1757
L
H
HG21
VAL
V
438
R
-
N
SER
A
1757
L
H
HG22
VAL
V
438
R
-
CA
SER
A
1757
L
H
OG
SER
V
434
R
-
CA
SER
A
1757
L
H
HB2
SER
V
434
R
-
C
SER
A
1757
L
H
HA
THR
V
431
R
-
C
SER
A
1757
L
H
HG22
THR
V
431
R
-
C
SER
A
1757
L
H
CB
SER
V
434
R
-
C
SER
A
1757
L
H
OG
SER
V
434
R
-
C
SER
A
1757
L
H
HB2
SER
V
434
R
-
C
SER
A
1757
L
H
HG
SER
V
434
R
-
O
SER
A
1757
L
H
HA
THR
V
431
R
-
O
SER
A
1757
L
H
HG22
THR
V
431
R
-
O
SER
A
1757
L
H
CB
SER
V
434
R
-
O
SER
A
1757
L
H
OG
SER
V
434
R
-
O
SER
A
1757
L
H
HB2
SER
V
434
R
-
O
SER
A
1757
L
H
HB3
SER
V
434
R
-
O
SER
A
1757
L
H
HG
SER
V
434
R
-
N
THR
A
1758
L
H
HA
THR
V
431
R
-
N
THR
A
1758
L
H
HB
THR
V
431
R
-
N
THR
A
1758
L
H
HG22
THR
V
431
R
-
N
THR
A
1758
L
H
OG
SER
V
434
R
-
N
THR
A
1758
L
H
HG
SER
V
434
R
-
N
THR
A
1758
L
H
HG
LEU
V
435
R
-
N
THR
A
1758
L
H
HD23
LEU
V
435
R
-
CA
THR
A
1758
L
H
CB
THR
V
431
R
-
CA
THR
A
1758
L
H
CG2
THR
V
431
R
-
CA
THR
A
1758
L
H
HA
THR
V
431
R
-
CA
THR
A
1758
L
H
HB
THR
V
431
R
-
CA
THR
A
1758
L
H
HG21
THR
V
431
R
-
CA
THR
A
1758
L
H
HG22
THR
V
431
R
-
C
THR
A
1758
L
H
CA
THR
V
431
R
-
C
THR
A
1758
L
H
CB
THR
V
431
R
-
C
THR
A
1758
L
H
CG2
THR
V
431
R
-
C
THR
A
1758
L
H
OG1
THR
V
431
R
-
C
THR
A
1758
L
H
HA
THR
V
431
R
-
C
THR
A
1758
L
H
HB
THR
V
431
R
-
C
THR
A
1758
L
H
HG21
THR
V
431
R
-
C
THR
A
1758
L
H
HG22
THR
V
431
R
-
C
THR
A
1758
L
H
HG23
THR
V
431
R
-
CB
THR
A
1758
L
H
HG22
THR
V
431
R
-
O
THR
A
1758
L
H
CA
THR
V
431
R
-
O
THR
A
1758
L
H
CB
THR
V
431
R
-
O
THR
A
1758
L
H
CG2
THR
V
431
R
-
O
THR
A
1758
L
H
HA
THR
V
431
R
-
O
THR
A
1758
L
H
HB
THR
V
431
R
-
O
THR
A
1758
L
H
HG21
THR
V
431
R
-
O
THR
A
1758
L
H
HG22
THR
V
431
R
-
O
THR
A
1758
L
H
HG23
THR
V
431
R
-
CG2
THR
A
1758
L
H
HD23
LEU
V
435
R
-
N
PRO
A
1759
L
H
CB
THR
V
431
R
-
N
PRO
A
1759
L
H
CG2
THR
V
431
R
-
N
PRO
A
1759
L
H
OG1
THR
V
431
R
-
N
PRO
A
1759
L
H
HB
THR
V
431
R
-
N
PRO
A
1759
L
H
HG21
THR
V
431
R
-
N
PRO
A
1759
L
H
HG22
THR
V
431
R
-
N
PRO
A
1759
L
H
HG23
THR
V
431
R
-
CA
PRO
A
1759
L
H
CB
THR
V
431
R
-
CA
PRO
A
1759
L
H
CG2
THR
V
431
R
-
CA
PRO
A
1759
L
H
OG1
THR
V
431
R
-
CA
PRO
A
1759
L
H
HB
THR
V
431
R
-
CA
PRO
A
1759
L
H
HG21
THR
V
431
R
-
CA
PRO
A
1759
L
H
HG22
THR
V
431
R
-
CA
PRO
A
1759
L
H
HG23
THR
V
431
R
-
CA
PRO
A
1759
L
H
HD13
LEU
V
460
R
-
C
PRO
A
1759
L
H
HG11
VAL
V
427
R
-
C
PRO
A
1759
L
H
CB
THR
V
431
R
-
C
PRO
A
1759
L
H
CG2
THR
V
431
R
-
C
PRO
A
1759
L
H
OG1
THR
V
431
R
-
C
PRO
A
1759
L
H
HB
THR
V
431
R
-
C
PRO
A
1759
L
H
HG1
THR
V
431
R
-
C
PRO
A
1759
L
H
HG21
THR
V
431
R
-
C
PRO
A
1759
L
H
HG23
THR
V
431
R
-
C
PRO
A
1759
L
H
HD12
LEU
V
460
R
-
C
PRO
A
1759
L
H
HD13
LEU
V
460
R
-
C
PRO
A
1759
L
H
HD22
LEU
V
460
R
-
C
PRO
A
1759
L
H
HD23
LEU
V
460
R
-
CB
PRO
A
1759
L
H
HG21
THR
V
431
R
-
O
PRO
A
1759
L
H
CG1
VAL
V
427
R
-
O
PRO
A
1759
L
H
HG11
VAL
V
427
R
-
O
PRO
A
1759
L
H
HG12
VAL
V
427
R
-
O
PRO
A
1759
L
H
HA
ILE
V
428
R
-
O
PRO
A
1759
L
H
CB
THR
V
431
R
-
O
PRO
A
1759
L
H
CG2
THR
V
431
R
-
O
PRO
A
1759
L
H
OG1
THR
V
431
R
-
O
PRO
A
1759
L
H
HG21
THR
V
431
R
-
O
PRO
A
1759
L
H
HG23
THR
V
431
R
-
CG
PRO
A
1759
L
H
HG21
THR
V
431
R
-
CD
PRO
A
1759
L
H
HG11
VAL
V
427
R
-
CD
PRO
A
1759
L
H
CG2
THR
V
431
R
-
CD
PRO
A
1759
L
H
HG21
THR
V
431
R
-
CD
PRO
A
1759
L
H
HG22
THR
V
431
R
-
CD
PRO
A
1759
L
H
HG23
THR
V
431
R
-
N
GLY
A
1760
L
H
OG1
THR
V
431
R
-
N
GLY
A
1760
L
H
HG21
THR
V
431
R
-
N
GLY
A
1760
L
H
CG
LEU
V
460
R
-
N
GLY
A
1760
L
H
CD1
LEU
V
460
R
-
N
GLY
A
1760
L
H
CD2
LEU
V
460
R
-
N
GLY
A
1760
L
H
HD12
LEU
V
460
R
-
N
GLY
A
1760
L
H
HD13
LEU
V
460
R
-
N
GLY
A
1760
L
H
HD22
LEU
V
460
R
-
N
GLY
A
1760
L
H
HD23
LEU
V
460
R
-
CA
GLY
A
1760
L
H
HG12
ILE
V
428
R
-
CA
GLY
A
1760
L
H
CD2
LEU
V
460
R
-
CA
GLY
A
1760
L
H
HD13
LEU
V
460
R
-
CA
GLY
A
1760
L
H
HD21
LEU
V
460
R
-
CA
GLY
A
1760
L
H
HD22
LEU
V
460
R
-
CA
GLY
A
1760
L
H
HD23
LEU
V
460
R
-
C
GLY
A
1760
L
H
CB
ILE
V
428
R
-
C
GLY
A
1760
L
H
CG1
ILE
V
428
R
-
C
GLY
A
1760
L
H
CD1
ILE
V
428
R
-
C
GLY
A
1760
L
H
HA
ILE
V
428
R
-
C
GLY
A
1760
L
H
HG12
ILE
V
428
R
-
C
GLY
A
1760
L
H
HG13
ILE
V
428
R
-
C
GLY
A
1760
L
H
HG23
ILE
V
428
R
-
C
GLY
A
1760
L
H
HD11
ILE
V
428
R
-
C
GLY
A
1760
L
H
HD12
ILE
V
428
R
-
C
GLY
A
1760
L
H
CG
LEU
V
460
R
-
C
GLY
A
1760
L
H
CD2
LEU
V
460
R
-
C
GLY
A
1760
L
H
HD21
LEU
V
460
R
-
C
GLY
A
1760
L
H
HD22
LEU
V
460
R
-
C
GLY
A
1760
L
H
HD23
LEU
V
460
R
-
O
GLY
A
1760
L
H
N
ILE
V
428
R
-
O
GLY
A
1760
L
H
CA
ILE
V
428
R
-
O
GLY
A
1760
L
H
CB
ILE
V
428
R
-
O
GLY
A
1760
L
H
CG1
ILE
V
428
R
-
O
GLY
A
1760
L
H
CG2
ILE
V
428
R
-
O
GLY
A
1760
L
H
CD1
ILE
V
428
R
-
O
GLY
A
1760
L
H
HA
ILE
V
428
R
-
O
GLY
A
1760
L
H
HG12
ILE
V
428
R
-
O
GLY
A
1760
L
H
HG13
ILE
V
428
R
-
O
GLY
A
1760
L
H
HG22
ILE
V
428
R
-
O
GLY
A
1760
L
H
HG23
ILE
V
428
R
-
O
GLY
A
1760
L
H
HD11
ILE
V
428
R
-
O
GLY
A
1760
L
H
HD12
ILE
V
428
R
-
O
GLY
A
1760
L
H
OG1
THR
V
431
R
-
O
GLY
A
1760
L
H
HG1
THR
V
431
R
-
O
GLY
A
1760
L
H
CG
LEU
V
460
R
-
O
GLY
A
1760
L
H
CD2
LEU
V
460
R
-
O
GLY
A
1760
L
H
HB3
LEU
V
460
R
-
O
GLY
A
1760
L
H
HD12
LEU
V
460
R
-
O
GLY
A
1760
L
H
HD21
LEU
V
460
R
-
O
GLY
A
1760
L
H
HD22
LEU
V
460
R
-
O
GLY
A
1760
L
H
HD23
LEU
V
460
R
-
N
SER
A
1761
L
H
CG1
ILE
V
428
R
-
N
SER
A
1761
L
H
CD1
ILE
V
428
R
-
N
SER
A
1761
L
H
HG12
ILE
V
428
R
-
N
SER
A
1761
L
H
HG13
ILE
V
428
R
-
N
SER
A
1761
L
H
HG23
ILE
V
428
R
-
N
SER
A
1761
L
H
HD11
ILE
V
428
R
-
N
SER
A
1761
L
H
HD12
ILE
V
428
R
-
N
SER
A
1761
L
H
CD2
LEU
V
460
R
-
N
SER
A
1761
L
H
HD21
LEU
V
460
R
-
N
SER
A
1761
L
H
HD22
LEU
V
460
R
-
N
SER
A
1761
L
H
HD23
LEU
V
460
R
-
CA
SER
A
1761
L
H
HG12
ILE
V
428
R
-
CA
SER
A
1761
L
H
HD11
ILE
V
428
R
-
CA
SER
A
1761
L
H
CD2
LEU
V
460
R
-
CA
SER
A
1761
L
H
HD21
LEU
V
460
R
-
CA
SER
A
1761
L
H
HD22
LEU
V
460
R
-
CA
SER
A
1761
L
H
HD23
LEU
V
460
R
-
C
SER
A
1761
L
H
HD11
ILE
V
428
R
-
C
SER
A
1761
L
H
HD12
ILE
V
428
R
-
C
SER
A
1761
L
H
HD21
LEU
V
460
R
-
C
SER
A
1761
L
H
HB3
CYS
V
463
R
-
O
SER
A
1761
L
H
CD1
ILE
V
428
R
-
O
SER
A
1761
L
H
HD11
ILE
V
428
R
-
O
SER
A
1761
L
H
HD12
ILE
V
428
R
-
O
SER
A
1761
L
H
HB3
CYS
V
463
R
-
OG
SER
A
1761
L
H
HD11
ILE
V
428
R
-
N
LEU
A
1762
L
H
HG11
VAL
V
459
R
-
N
LEU
A
1762
L
H
CB
CYS
V
463
R
-
N
LEU
A
1762
L
H
SG
CYS
V
463
R
-
N
LEU
A
1762
L
H
HB3
CYS
V
463
R
-
CA
LEU
A
1762
L
H
SG
CYS
V
463
R
-
C
LEU
A
1762
L
H
HG12
VAL
V
459
R
-
C
LEU
A
1762
L
H
SG
CYS
V
463
R
-
C
LEU
A
1762
L
H
HG
CYS
V
463
R
-
CB
LEU
A
1762
L
H
SG
CYS
V
463
R
-
CB
LEU
A
1762
L
H
HE1
MET
V
466
R
-
O
LEU
A
1762
L
H
HG11
VAL
V
459
R
-
O
LEU
A
1762
L
H
HG12
VAL
V
459
R
-
O
LEU
A
1762
L
H
CB
CYS
V
463
R
-
O
LEU
A
1762
L
H
SG
CYS
V
463
R
-
O
LEU
A
1762
L
H
HA
CYS
V
463
R
-
O
LEU
A
1762
L
H
HB2
CYS
V
463
R
-
O
LEU
A
1762
L
H
HB3
CYS
V
463
R
-
O
LEU
A
1762
L
H
HG
CYS
V
463
R
-
O
LEU
A
1762
L
H
HE3
MET
V
466
R
-
CG
LEU
A
1762
L
H
HE1
MET
V
466
R
-
CG
LEU
A
1762
L
H
CD1
ILE
V
486
R
-
CG
LEU
A
1762
L
H
HD11
ILE
V
486
R
-
CG
LEU
A
1762
L
H
HD12
ILE
V
486
R
-
CG
LEU
A
1762
L
H
HD13
ILE
V
486
R
-
CD1
LEU
A
1762
L
H
HE1
MET
V
466
R
-
CD1
LEU
A
1762
L
H
HG21
ILE
V
482
R
-
CD1
LEU
A
1762
L
H
HG22
ILE
V
482
R
-
CD1
LEU
A
1762
L
H
CD1
ILE
V
486
R
-
CD1
LEU
A
1762
L
H
HD11
ILE
V
486
R
-
CD1
LEU
A
1762
L
H
HD12
ILE
V
486
R
-
CD1
LEU
A
1762
L
H
HD13
ILE
V
486
R
-
CD2
LEU
A
1762
L
H
CD1
ILE
V
486
R
-
CD2
LEU
A
1762
L
H
HG12
ILE
V
486
R
-
CD2
LEU
A
1762
L
H
HD11
ILE
V
486
R
-
CD2
LEU
A
1762
L
H
HD12
ILE
V
486
R
-
CD2
LEU
A
1762
L
H
HD13
ILE
V
486
R
-
N
HIS
A
1763
L
H
SG
CYS
V
463
R
-
N
HIS
A
1763
L
H
HG
CYS
V
463
R
-
C
HIS
A
1763
L
H
HG12
VAL
V
459
R
-
C
HIS
A
1763
L
H
HG
CYS
V
463
R
-
O
HIS
A
1763
L
H
HG12
VAL
V
459
R
-
O
HIS
A
1763
L
H
SG
CYS
V
463
R
-
O
HIS
A
1763
L
H
HG
CYS
V
463
R
-
N
GLU
A
1764
L
H
HG12
VAL
V
459
R
-
ND1
HIS
A
1768
L
H
HG11
VAL
V
451
R
-
C
SER
A
1769
L
-
HG23
THR
V
366
R
-
CB
SER
A
1769
L
H
HG13
VAL
V
451
R
-
O
SER
A
1769
L
-
HG21
THR
V
366
R
-
O
SER
A
1769
L
-
HG23
THR
V
366
R
-
N
ARG
A
1770
L
-
HG21
THR
V
366
R
-
N
ARG
A
1770
L
-
HG23
THR
V
366
R
-
CA
ARG
A
1770
L
-
CG2
THR
V
366
R
-
CA
ARG
A
1770
L
-
HG21
THR
V
366
R
-
CA
ARG
A
1770
L
-
HG23
THR
V
366
R
-
C
ARG
A
1770
L
-
CG2
THR
V
366
R
-
C
ARG
A
1770
L
-
HG21
THR
V
366
R
-
C
ARG
A
1770
L
-
HG22
THR
V
366
R
-
C
ARG
A
1770
L
-
HG23
THR
V
366
R
-
O
ARG
A
1770
L
-
CG2
THR
V
366
R
-
O
ARG
A
1770
L
-
HG21
THR
V
366
R
-
O
ARG
A
1770
L
-
HG22
THR
V
366
R
-
O
ARG
A
1770
L
-
HG23
THR
V
366
R
-
CG
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
CG
ARG
A
1770
L
H
HG21
VAL
V
451
R
-
CD
ARG
A
1770
L
-
CA
GLY
V
449
R
-
CD
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
CD
ARG
A
1770
L
-
HA3
GLY
V
449
R
-
NE
ARG
A
1770
L
-
C
ASN
V
448
R
-
NE
ARG
A
1770
L
-
N
GLY
V
449
R
-
NE
ARG
A
1770
L
-
CA
GLY
V
449
R
-
NE
ARG
A
1770
L
-
C
GLY
V
449
R
-
NE
ARG
A
1770
L
-
O
GLY
V
449
R
-
NE
ARG
A
1770
L
-
H
GLY
V
449
R
-
NE
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
NE
ARG
A
1770
L
-
HA3
GLY
V
449
R
-
NE
ARG
A
1770
L
H
HG21
VAL
V
451
R
-
NE
ARG
A
1770
L
H
HG21
VAL
V
452
R
-
NH1
ARG
A
1770
L
-
CA
GLY
V
449
R
-
NH1
ARG
A
1770
L
-
C
GLY
V
449
R
-
NH1
ARG
A
1770
L
-
O
GLY
V
449
R
-
NH1
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
NH1
ARG
A
1770
L
-
HA3
GLY
V
449
R
-
NH1
ARG
A
1770
L
H
CG2
VAL
V
452
R
-
NH1
ARG
A
1770
L
H
HG21
VAL
V
452
R
-
NH1
ARG
A
1770
L
H
HG22
VAL
V
452
R
-
NH2
ARG
A
1770
L
H
CE
MET
V
442
R
-
NH2
ARG
A
1770
L
H
HE1
MET
V
442
R
-
NH2
ARG
A
1770
L
-
C
ASN
V
448
R
-
NH2
ARG
A
1770
L
-
O
ASN
V
448
R
-
NH2
ARG
A
1770
L
-
N
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
CA
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
C
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
O
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
H
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
HA3
GLY
V
449
R
-
NH2
ARG
A
1770
L
-
N
GLU
V
450
R
-
NH2
ARG
A
1770
L
-
H
GLU
V
450
R
-
NH2
ARG
A
1770
L
H
H
VAL
V
451
R
-
NH2
ARG
A
1770
L
H
H
VAL
V
452
R
-
NH2
ARG
A
1770
L
H
HB
VAL
V
452
R
-
NH2
ARG
A
1770
L
H
HG21
VAL
V
452
R
-
CZ
ARG
A
1770
L
-
C
ASN
V
448
R
-
CZ
ARG
A
1770
L
-
O
ASN
V
448
R
-
CZ
ARG
A
1770
L
-
N
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
CA
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
C
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
O
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
H
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
HA2
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
HA3
GLY
V
449
R
-
CZ
ARG
A
1770
L
-
N
GLU
V
450
R
-
CZ
ARG
A
1770
L
H
CG2
VAL
V
452
R
-
CZ
ARG
A
1770
L
H
H
VAL
V
452
R
-
CZ
ARG
A
1770
L
H
HG21
VAL
V
452
R
-
CZ
ARG
A
1770
L
H
HG22
VAL
V
452
R
-
N
SER
A
1771
L
-
CG2
THR
V
366
R
-
N
SER
A
1771
L
-
HG21
THR
V
366
R
-
N
SER
A
1771
L
-
HG22
THR
V
366
R
-
N
SER
A
1771
L
-
HG23
THR
V
366
R
-
CA
SER
A
1771
L
-
HG21
THR
V
366
R
-
O
SER
A
1771
L
-
OG1
THR
V
366
R
-
O
SER
A
1771
L
-
HG21
THR
V
366
R
-
CB
THR
A
1772
L
-
HD22
ASN
V
448
R
-
CG2
THR
A
1772
L
-
ND2
ASN
V
448
R
-
CG2
THR
A
1772
L
-
HD22
ASN
V
448
R
-
OG1
THR
A
1772
L
-
ND2
ASN
V
448
R
-
OG1
THR
A
1772
L
-
HD21
ASN
V
448
R
-
OG1
THR
A
1772
L
-
HD22
ASN
V
448
R
-
O
ARG
A
1773
L
-
HH21
ARG
V
355
R
-
O
ARG
A
1773
L
-
CG2
THR
V
360
R
-
O
ARG
A
1773
L
-
HG21
THR
V
360
R
-
O
ARG
A
1773
L
-
HG23
THR
V
360
R
H
CG
ARG
A
1794
L
-
HG23
THR
V
379
R
H
NE
ARG
A
1794
L
-
HG23
THR
V
379
R
H
NH2
ARG
A
1794
L
-
O
GLU
V
378
R
H
NH2
ARG
A
1794
L
-
HB2
GLU
V
378
R
H
NH2
ARG
A
1794
L
-
HA
THR
V
379
R
H
NH2
ARG
A
1794
L
-
HG23
THR
V
379
R
H
CZ
ARG
A
1794
L
-
HG23
THR
V
379
R
-
CA
GLY
A
1798
L
S
HE2
PHE
V
354
R
-
C
GLY
A
1798
L
S
HE2
PHE
V
354
R
-
O
GLY
A
1798
L
S
HE2
PHE
V
354
R
-
CD1
LEU
A
1846
L
H
CG2
VAL
V
394
R
-
CD1
LEU
A
1846
L
H
HG22
VAL
V
394
R
-
CD1
LEU
A
1846
L
H
HG23
VAL
V
394