@TOME V2.2
(Nov 2016)
Ref.
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : T0817: (2014-06-12 )
MSVKRRTFLQGAAGAIGLAMAQGALSKIVYAQGAAGTLRVAIAKPAGNLDPQSHYAIWAIQDLMFEPLVKYGKGGQIEPCLATDWKIEDGGKTLHLTLREGVKFQDGTKFDAAACKWNLERWMGIDQFSWMNCSKHFQSLEVVDDYHITVHFKEPVLALMQELSYTRPTRFLSPKSVDADGKFKEPVGTGPWVQISADDTQSVFEHYDGYWGDKPTYERLEAKVIPDARSRVAALRAGEIDLVGGFWIAPLTPEEGKQLEAAGFNVVVDPGNVTLVMAFNPDRAEPLKDPQVRKAVSIGIDRAAISKVLYHGYAKPAGNMFSAALPYAGKQFDAPVRDAAAASALLEKAGWTGSPIRSKDGKPLTLELVVSPDAVPGSRVIAEVIQSEMKEVGIDLVIRSVDHASKHTDMLEQKYDLGFFLTYGAPYDPFGSLVALCLSTFKNDVEGKLVTDPVNLDPLINAATAATGDQIEPTIQKVYDWLRDNDAIAPLVYVPSIWAHSKRVQGFTSPVTEYDMPYENIVLAE
Atome Classification :
(20 SA)
.........10........20........30........40........50.....--.-..60........70....-....80........90........100....------...110.......120.....---------.-.130---.......140.......150.......160.......170..---....---.180---.-......190.-...-.-..200........210........220.......230.......240.-......250.......260-.......270.......280.......290.......300.......310.......320.......330.......340.......350---.......360......-.370.---......380.......390.......400.......410----........420..-...-..430.......440.--......450.......460....-...-470.......480.......490.......500.......510.......520...-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSV
K
R
R
T
F
LQGAA
G
A
I
G
L
A
M
A
Q
G
A
L
S
K
I
VYAQGAA
G
T
L
R
V
A
I
AKPAGNLDPQS
H
Y
A
--
I
-
W
A
I
Q
D
L
M
F
E
P
L
V
KYGKGG-QI
E
P
CLATD
W
K
IEDG
G
K
T
L
H
L
T
LREGVKFQD------GTKFD
A
A
A
C
KW
N
L
E
R
WMGIDQ---------F-
S
W
M
N
---
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
FKE
P
V
L
A
L
M
Q
E
LSYTRPTRFLSP---KSVD---ADGK---F-KEPVGTGP
W
V
-
Q
I
S-A-D
D
T
-
Q
S
V
F
E
HYDGYW-GDK
P
T
Y
E
R
L
E
A
K
VIPD
A
R
S
R
V
A
A
LRAG
E
I
D
L
V-G
G
F
W
I
APLTPEEG
K
Q
LEAA-G
F
N
V
V
VDPG
N
V
T
L
V
M
A
FNPDRAEPLK
D
P
Q
V
R
K
A
V
SIGI
D
R
A
A
I
S
K
V
L
Y
HGYAKPAGN
M
F
S
A
ALPYAGKQFDAP
V
R
D
A
A
A
A
S
A
L
L
E
KAGWT---GSPIRSKDGK
P
L
T
L
E
L
-
V
VSPD---AVP
G
S
R
V
I
A
E
V
I
Q
S
E
M
K
E
V
G
I
D
L
V
I
R
SVDH
A
S
K
H
T
D
M
L
-----
E
Q
KYD
L
G
F
F
L
TYG-APY-D
P
F
G
S
L
V
A
L
C
L
S
T
F
KN--DVEG
K
L
VTDPVN
L
D
P
LINAATAA-TGD-QI
E
P
T
I
Q
K
V
Y
D
W
L
RDNDAIA
P
L
V
Y
V
P
S
I
WAH
S
K
RVQGFTSPVTEYDMP
Y
E
N
I
V
LAE-
8
PsiBlast_PDB
93.57
28%
-85
- C3 -
3MVY
7
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
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T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
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L
A
L
N
T
A
K
A
-
P
T
N
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L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
3
PsiBlast_PDB
93.27
28%
-85
- C3 -
1ZLQ
5
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
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L
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Q
P
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M
L
A
L
N
T
A
K
A
-
P
T
N
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L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
2
PsiBlast_PDB
93.18
28%
-84
- C3 -
3MZB
11
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
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T
F
A
R
F
S
Q
N
P
-
A
Y
H
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P
I
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V
M
L
A
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T
A
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A
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L
A
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A
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A
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A
N
L
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L
K
P
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Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
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I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
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P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
7
PsiBlast_PDB
93.08
28%
-84
- C3 -
3MVX
6
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
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I
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S
A
Y
Y
P
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L
Q
E
L
A
L
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F
R
F
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A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
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L
Q
E
S
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K
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L
N
Q
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Y
D
V
F
V
R
N
E
N
Y
W
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G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
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V
A
F
E
T
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D
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L
L
Y
G
N
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G
L
L
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T
F
A
R
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Q
N
P
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A
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A
L
N
T
A
K
A
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P
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A
V
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Y
A
V
N
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K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
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Q
Y
D
P
Q
K
A
K
A
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L
E
K
A
G
W
T
LPA
G
K
D
I
R
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N
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Q
P
L
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I
E
L
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F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
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K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
1
PsiBlast_PDB
92.99
28%
-86
- C3 -
3QIM
7
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
I
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
15
PsiBlast_PDB
92.89
28%
-85
- C3 -
4I9D
9
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
14
PsiBlast_PDB
92.80
28%
-84
- C3 -
4I8C
5
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
L
P
A
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
12
PsiBlast_PDB
92.79
28%
-83
- C3 -
4DCX
5
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
6
PsiBlast_PDB
92.58
28%
-84
- C3 -
3MVW
7
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
4
PsiBlast_PDB
92.54
28%
-85
- C3 -
3DP8
1
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
9
PsiBlast_PDB
92.45
28%
-84
- C3 -
3MVZ
11
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
10
PsiBlast_PDB
92.41
28%
-85
- C3 -
3MW0
2
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
45
HHSearch
92.26
24%
-88
- C3 -
3TPA
-
?
A:
[8-513]
-----------------------------------
N
T
L
V
N
C
I
A
T
A
P
M
K
L
S
P
A
I
T
N
D
A
N
D
F
N
A
S
S
Q
Q
V
Y
N
R
L
V
E
F
K
A
G
K
I
E
V
E
P
G
L
A
E
R
W
E
I
S
E
D
G
L
V
Y
T
F
Y
L
R
Q
N
V
K
F
H
S
N
KTFSP
T
R
P
L
N
A
D
D
V
V
F
S
F
Q
R
Q
A
D
K
N
H
PYHNVSAGT
Y
-
F
Y
F
N
W
M
N
L
P
S
I
L
K
S
V
E
K
V
D
D
Y
T
V
K
I
T
L
N
K
P
N
T
P
F
I
T
T
V
A
M
D
-
F
L
S
I
Y
S
K
---
E
Y
A
D
Q
L
L
A
Q
G
K
P
E
T
L
D
Q
Q
P
I
G
T
G
P
F
I
-
F
Q
T
-
N
Q
T
D
H
-
A
V
R
Y
T
A
N
V
D
Y
W
-
K
G
K
A
D
I
E
R
L
I
F
S
I
T
P
D
A
G
T
R
Y
A
K
L
K
A
G
E
C
D
V
I
-
D
F
-----
P
N
I
S
D
I
A
Q
M
K
K
D
P
Q
I
N
L
L
E
R
E
G
L
N
L
A
Y
I
G
L
N
T
T
K
P
-
E
L
N
N
V
K
V
R
Q
A
L
H
H
A
T
D
K
K
A
I
V
D
A
V
Y
Q
G
G
G
T
V
A
T
N
P
F
P
D
A
V
L
G
Y
N
P
H
L
P
Q
Y
E
F
N
L
E
K
A
K
A
L
L
A
E
A
G
Y
P
----------
N
G
F
--
E
T
E
I
-
W
V
Q
P
V
VRP
S
N
P
N
P
R
R
T
A
E
I
I
Q
A
D
W
A
K
I
G
V
K
A
K
L
V
T
H
E
W
A
D
F
N
K
R
T
R
-----
E
G
E
F
A
A
G
T
Y
-
G
W
T
S
R
N
G
-
D
P
D
N
F
L
F
P
L
F
S
Q
A
N
I
P
--
G
T
N
Y
S
R
W
T
D
E
-
K
F
E
A
L
L
A
S
A
A
Q
I
-
Q
D
T
Q
T
R
A
K
L
Y
Q
Q
A
V
E
I
F
Q
Q
N
S
P
I
I
P
F
A
H
S
I
N
Y
V
P
L
N
K
R
V
Q
G
F
V
Q
N
P
F
G
-
Y
T
A
F
Y
G
V
S
L
K
--
13
PsiBlast_PDB
92.19
28%
-85
- C3 -
4DCY
9
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
11
PsiBlast_PDB
92.04
28%
-84
- C3 -
3MZ9
13
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
5
PsiBlast_PDB
91.77
28%
-85
- C3 -
3E3K
3
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
Q
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
17
PsiBlast_PDB
90.87
28%
-80
- C3 -
1UIV
-
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
R
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
16
PsiBlast_PDB
89.90
28%
-80
- C3 -
1UIU
-
NIKA_ECOLI
A:
[30-497]
---------------------------------------------------------------
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
R--------
H
-
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
L
Q
E
S
-
K
-
L
N
Q
-
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
Y
G
N
E
G
L
L
P
L
D
-
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
A
K
A
-
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
S
F
I
G
T
D
---
A
L
--
S
K
S
M
A
E
I
I
R
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
-
H
D
E
T
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
-----
49
HHSearch
88.23
25%
-85
- C3 -
1UQW
2
GSIB_ECOLI
A:
[24-508]
----------------------------------
A
K
D
V
V
V
A
V
G
S
N
F
T
T
L
D
P
Y
D
A
N
D
T
L
S
-
Q
A
V
A
K
S
F
Y
Q
G
L
F
G
L
D
K
E
M
-
K
L
K
N
V
L
A
E
S
Y
T
V
S
D
D
G
I
T
Y
T
V
K
L
R
E
G
I
K
F
Q
D
------
G
T
D
F
N
A
A
A
V
K
A
N
L
D
R
A
S
D
P
A
N
---------
H
L
K
R
H
N
---
L
Y
K
N
I
A
K
T
E
A
I
D
P
T
T
V
K
I
T
L
K
Q
P
F
S
A
F
I
N
I
L
A
H
P
A
-
T
A
M
I
S
P
---
A
A
L
E
---
K
Y
G
K
EI-
G
-
F
Y
P
V
G
T
G
P
Y
E
-
L
D
T
W
N
-
Q
T
D
-
F
V
K
V
K
K
F
A
G
Y
W
Q
P
G
L
P
K
L
D
S
I
T
W
R
P
V
A
D
N
N
T
R
A
A
M
L
Q
T
G
E
A
Q
F
A
-
F
P
-----
I
P
Y
E
Q
A
T
L
L
E
K
N
K
N
I
E
L
M
A
S
P
S
I
M
Q
R
Y
I
S
M
N
V
T
Q
K
-
P
F
D
N
P
K
V
R
E
A
L
N
Y
A
I
N
R
P
A
L
V
K
V
A
F
A
G
Y
A
T
P
A
T
G
V
V
P
P
S
I
A
Y
A
Q
-
S
Y
K
P
W
P
Y
D
P
V
K
A
R
E
L
L
K
E
A
G
Y
P
----------
N
G
F
S
--
T
T
L
-
W
S
S
H
N
---
H
-
S
T
A
Q
K
V
L
Q
F
T
Q
Q
Q
L
A
Q
V
G
I
K
A
Q
V
T
A
M
D
A
G
Q
R
A
A
E
V
E
GKGQK
E
S
G
V
R
M
F
Y
-
T
G
W
S
-
A
S
T
G
E
A
D
W
A
L
S
P
L
F
A
S
Q
N
W
P
PT
L
F
N
T
A
F
Y
S
N
K
-
Q
V
D
D
F
L
A
Q
A
L
K
T
-
N
D
P
A
E
K
T
R
L
Y
K
A
A
Q
D
I
I
W
Q
E
S
P
W
I
P
L
V
V
E
K
L
V
S
A
H
S
K
N
L
T
G
F
W
I
M
P
D
T
-
G
F
S
F
E
D
A
D
L
---
32
SP3
87.28
24%
-73
- C3 -
1UIU
-
NIKA_ECOLI
A:
[4-499]
-----------------------------------
D
E
I
T
T
A
W
P
V
N
V
G
P
L
N
P
H
L
Y
T
P
N-
Q
-
M
F
A
Q
S
M
V
Y
E
P
L
V
K
Y
Q
A
D
G
-
S
V
I
P
W
L
A
K
S
W
T
H
S
E
D
G
K
T
W
T
F
T
L
R
D
D
V
K
F
S
N
------
G
E
P
F
D
A
E
A
A
A
E
N
F
R
A
V
L
D
N
R
Q
---------
R
H
A
W
L
E
---
L
A
N
Q
I
V
D
V
K
A
L
S
K
T
E
L
Q
I
T
L
K
S
A
Y
Y
P
F
L
Q
E
L
A
L
P
R
P
F
R
F
I
A
P
SQF
K
N
H
E
---
T
M
N
G
---
I
-
K
A
P
I
G
T
G
P
W
I
-
L
Q
E
-
S
-
K
L
N
Q
Y
D
V
F
V
R
N
E
N
Y
W
-
G
E
K
P
A
I
K
K
I
T
F
N
V
I
P
D
P
T
T
R
A
V
A
F
E
T
G
D
I
D
L
L
-
Y
G
N
E
G
L
L
P
L
D
T
F
A
R
F
S
Q
N
P
-
A
Y
H
T
Q
L
S
Q
P
I
E
T
V
M
L
A
L
N
T
-
A
K
A
P
T
N
E
L
A
V
R
E
A
L
N
Y
A
V
N
K
K
S
L
I
D
N
A
L
Y
G
T
Q
Q
V
A
D
T
L
F
A
P
S
V
P
Y
A
N
L
G
L
K
P
S
Q
Y
D
P
Q
K
A
K
A
L
L
E
K
A
G
W
T
LPA
G
K
D
I
R
E
K
N
G
Q
P
L
R
I
E
L
-
S
F
I
G
T
---
D
-
A
L
S
K
S
M
A
E
I
I
R
A
D
M
R
Q
I
G
A
D
V
S
L
I
G
E
E
E
S
S
I
Y
A
R
Q
R
-----
D
G
R
F
G
M
I
F
H
R
T
W
G
-
A
P
Y
-
D
P
H
A
F
L
S
S
M
R
V
P
S
H
A
D
--
F
Q
A
Q
Q
G
L
A
D
K
P
L
I
D
K
E
I
G
E
V
L
A
T
H
D
E
T
-
Q
R
Q
A
L
Y
R
D
I
L
T
R
L
H
D
E
A
V
Y
L
P
I
S
Y
I
S
M
M
V
V
S
K
P
E
L
G
N
I
P
Y
A
P
I
A
T
E
I
P
F
E
Q
I
---
K
P
User Run . : Multi Template Modeling Result:
(4 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSV
K
R
R
T
F
LQGAA
G
A
I
G
L
A
M
A
Q
G
A
L
S
K
I
VYAQGAA
G
T
L
R
V
A
I
AKPAGNLDPQS
H
Y
A
I
W
A
I
Q
D
L
M
F
E
P
L
V
KYGKGGQI
E
P
CLATD
W
K
IEDG
G
K
T
L
H
L
T
LREGVKFQDGTKFD
A
A
A
C
KW
N
L
E
R
WMGIDQF
S
W
M
N
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
FKE
P
V
L
A
L
M
Q
E
LSYTRPTRFLSPKSVDADGKFKEPVGTGP
W
V
Q
I
SAD
D
T
Q
S
V
F
E
HYDGYWGDK
P
T
Y
E
R
L
E
A
K
VIPD
A
R
S
R
V
A
A
LRAG
E
I
D
L
VG
G
F
W
I
APLTPEEG
K
Q
LEAAG
F
N
V
V
VDPG
N
V
T
L
V
M
A
FNPDRAEPLK
D
P
Q
V
R
K
A
V
SIGI
D
R
A
A
I
S
K
V
L
Y
HGYAKPAGN
M
F
S
A
ALPYAGKQFDAP
V
R
D
A
A
A
A
S
A
L
L
E
KAGWTGSPIRSKDGK
P
L
T
L
E
L
V
VSPDAVP
G
S
R
V
I
A
E
V
I
Q
S
E
M
K
E
V
G
I
D
L
V
I
R
SVDH
A
S
K
H
T
D
M
L
E
Q
KYD
L
G
F
F
L
TYGAPYD
P
F
G
S
L
V
A
L
C
L
S
T
F
KNDVEG
K
L
VTDPVN
L
D
P
LINAATAATGDQI
E
P
T
I
Q
K
V
Y
D
W
L
RDNDAIA
P
L
V
Y
V
P
S
I
WAH
S
K
RVQGFTSPVTEYDMP
Y
E
N
I
V
LAE
76
99.48
100%
-98
- C- -
M076
-
A:
[35-580]
----------------------------------
A
G
T
L
R
V
A
I
A
K
P
A
G
N
L
D
P
Q
S
H
Y
A
I
W
A
I
Q
D
L
M
F
E
P
L
V
K
Y
G
K
G
G
Q
I
E
P
C
L
A
T
D
W
K
I
E
D
G
G
K
T
L
H
L
T
L
R
E
G
V
K
F
Q
D
G
T
K
F
D
A
A
A
C
K
W
N
L
E
R
W
M
G
I
D
Q
F
S
W
M
N
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
F
K
E
P
V
L
A
L
M
Q
E
L
S
Y
T
R
P
T
R
F
L
S
P
K
S
V
D
A
D
G
K
F
K
E
P
V
G
T
G
P
W
V
Q
I
S
A
D
D
T
Q
S
V
F
E
H
Y
D
G
Y
W
G
D
K
P
T
Y
E
R
L
E
A
K
V
I
P
D
A
R
S
R
V
A
A
L
R
A
G
E
I
D
L
V
G
G
F
W
I
A
P
L
T
P
E
E
G
K
Q
L
E
A
A
G
F
N
V
V
V
D
P
G
N
V
T
L
V
M
A
F
N
P
D
R
A
E
P
L
K
D
P
Q
V
R
K
A
V
S
I
G
I
D
R
A
A
I
S
K
V
L
Y
H
G
Y
A
K
P
A
G
N
M
F
S
A
A
L
P
Y
A
G
K
Q
F
D
A
P
V
R
D
A
A
A
A
S
A
L
L
E
K
A
G
W
T
G
S
P
I
R
S
K
D
G
K
P
L
T
L
E
L
V
V
S
P
D
A
V
P
G
S
R
V
I
A
E
V
I
Q
S
E
M
K
E
V
G
I
D
L
V
I
R
S
V
D
H
A
S
K
H
T
D
M
L
E
Q
K
Y
D
L
G
F
F
L
T
Y
G
A
P
Y
D
P
F
G
S
L
V
A
L
C
L
S
T
F
K
N
D
V
E
G
K
L
V
T
D
P
V
N
L
D
P
L
I
N
A
A
T
A
A
T
G
D
Q
I
E
P
T
I
Q
K
V
Y
D
W
L
R
D
N
D
A
I
A
P
L
V
Y
V
P
S
I
W
A
H
S
K
R
V
Q
G
F
T
S
P
V
T
E
Y
D
M
P
Y
E
N
I
V
L
A
E
77
98.71
100%
-97
- C- -
M077
-
A:
[35-583]
----------------------------------
A
G
T
L
R
V
A
I
A
K
P
A
G
N
L
D
P
Q
S
H
Y
A
I
W
A
I
Q
D
L
M
F
E
P
L
V
K
Y
G
K
G
G
Q
I
E
P
C
L
A
T
D
W
K
I
E
D
G
G
K
T
L
H
L
T
L
R
E
G
V
K
F
Q
D
G
T
K
F
D
A
A
A
C
K
W
N
L
E
R
W
M
G
I
D
Q
F
S
W
M
N
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
F
K
E
P
V
L
A
L
M
Q
E
L
S
Y
T
R
P
T
R
F
L
S
P
K
S
V
D
A
D
G
K
F
K
E
P
V
G
T
G
P
W
V
Q
I
S
A
D
D
T
Q
S
V
F
E
H
Y
D
G
Y
W
G
D
K
P
T
Y
E
R
L
E
A
K
V
I
P
D
A
R
S
R
V
A
A
L
R
A
G
E
I
D
L
V
G
G
F
W
I
A
P
L
T
P
E
E
G
K
Q
L
E
A
A
G
F
N
V
V
V
D
P
G
N
V
T
L
V
M
A
F
N
P
D
R
A
E
P
L
K
D
P
Q
V
R
K
A
V
S
I
G
I
D
R
A
A
I
S
K
V
L
Y
H
G
Y
A
K
P
A
G
N
M
F
S
A
A
L
P
Y
A
G
K
Q
F
D
A
P
V
R
D
A
A
A
A
S
A
L
L
E
K
A
G
W
T
G
S
P
I
R
S
K
D
G
K
P
L
T
L
E
L
V
V
S
P
D
A
V
P
G
S
R
V
I
A
E
V
I
Q
S
E
M
K
E
V
G
I
D
L
V
I
R
S
V
D
H
A
S
K
H
T
D
M
L
E
Q
K
Y
D
L
G
F
F
L
T
Y
G
A
P
Y
D
P
F
G
S
L
V
A
L
C
L
S
T
F
K
N
D
V
E
G
K
L
V
T
D
P
V
N
L
D
P
L
I
N
A
A
T
A
A
T
G
D
Q
I
E
P
T
I
Q
K
V
Y
D
W
L
R
D
N
D
A
I
A
P
L
V
Y
V
P
S
I
W
A
H
S
K
R
V
Q
G
F
T
S
P
V
T
E
Y
D
M
P
Y
E
N
I
V
L
A
E
83
97.44
100%
-98
- C- -
M083
-
A:
[35-581]
----------------------------------
A
G
T
L
R
V
A
I
A
K
P
A
G
N
L
D
P
Q
S
H
Y
A
I
W
A
I
Q
D
L
M
F
E
P
L
V
K
Y
G
K
G
G
Q
I
E
P
C
L
A
T
D
W
K
I
E
D
G
G
K
T
L
H
L
T
L
R
E
G
V
K
F
Q
D
G
T
K
F
D
A
A
A
C
K
W
N
L
E
R
W
M
G
I
D
Q
F
S
W
M
N
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
F
K
E
P
V
L
A
L
M
Q
E
L
S
Y
T
R
P
T
R
F
L
S
P
K
S
V
D
A
D
G
K
F
K
E
P
V
G
T
G
P
W
V
Q
I
S
A
D
D
T
Q
S
V
F
E
H
Y
D
G
Y
W
G
D
K
P
T
Y
E
R
L
E
A
K
V
I
P
D
A
R
S
R
V
A
A
L
R
A
G
E
I
D
L
V
G
G
F
W
I
A
P
L
T
P
E
E
G
K
Q
L
E
A
A
G
F
N
V
V
V
D
P
G
N
V
T
L
V
M
A
F
N
P
D
R
A
E
P
L
K
D
P
Q
V
R
K
A
V
S
I
G
I
D
R
A
A
I
S
K
V
L
Y
H
G
Y
A
K
P
A
G
N
M
F
S
A
A
L
P
Y
A
G
K
Q
F
D
A
P
V
R
D
A
A
A
A
S
A
L
L
E
K
A
G
W
T
G
S
P
I
R
S
K
D
G
K
P
L
T
L
E
L
V
V
S
P
D
A
V
P
G
S
R
V
I
A
E
V
I
Q
S
E
M
K
E
V
G
I
D
L
V
I
R
S
V
D
H
A
S
K
H
T
D
M
L
E
Q
K
Y
D
L
G
F
F
L
T
Y
G
A
P
Y
D
P
F
G
S
L
V
A
L
C
L
S
T
F
K
N
D
V
E
G
K
L
V
T
D
P
V
N
L
D
P
L
I
N
A
A
T
A
A
T
G
D
Q
I
E
P
T
I
Q
K
V
Y
D
W
L
R
D
N
D
A
I
A
P
L
V
Y
V
P
S
I
W
A
H
S
K
R
V
Q
G
F
T
S
P
V
T
E
Y
D
M
P
Y
E
N
I
V
L
A
E
85
97.10
100%
-98
- C- -
M085
-
A:
[35-581]
----------------------------------
A
G
T
L
R
V
A
I
A
K
P
A
G
N
L
D
P
Q
S
H
Y
A
I
W
A
I
Q
D
L
M
F
E
P
L
V
K
Y
G
K
G
G
Q
I
E
P
C
L
A
T
D
W
K
I
E
D
G
G
K
T
L
H
L
T
L
R
E
G
V
K
F
Q
D
G
T
K
F
D
A
A
A
C
K
W
N
L
E
R
W
M
G
I
D
Q
F
S
W
M
N
C
S
K
H
F
Q
S
L
E
V
V
D
D
Y
H
I
T
V
H
F
K
E
P
V
L
A
L
M
Q
E
L
S
Y
T
R
P
T
R
F
L
S
P
K
S
V
D
A
D
G
K
F
K
E
P
V
G
T
G
P
W
V
Q
I
S
A
D
D
T
Q
S
V
F
E
H
Y
D
G
Y
W
G
D
K
P
T
Y
E
R
L
E
A
K
V
I
P
D
A
R
S
R
V
A
A
L
R
A
G
E
I
D
L
V
G
G
F
W
I
A
P
L
T
P
E
E
G
K
Q
L
E
A
A
G
F
N
V
V
V
D
P
G
N
V
T
L
V
M
A
F
N
P
D
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A
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P
L
K
D
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A
V
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I
G
I
D
R
A
A
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Y
H
G
Y
A
K
P
A
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N
M
F
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A
A
L
P
Y
A
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M
L
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Y
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F
L
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L
V
A
L
C
L
S
T
F
K
N
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V
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G
K
L
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N
L
D
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L
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N
A
A
T
A
A
T
G
D
Q
I
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P
T
I
Q
K
V
Y
D
W
L
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D
N
D
A
I
A
P
L
V
Y
V
P
S
I
W
A
H
S
K
R
V
Q
G
F
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Y
D
M
P
Y
E
N
I
V
L
A
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