@TOME V2.3
(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 : PA3874: (2016-02-21 )
MKIRSQVGMVLNLDKCIGCHTCSITCKNVWTSREGMEYAWFNNVETKPGIGYPKEWENQEKWKGGWVRAADGSIRPRIGGKFRVLANIFANPDLPEIDDYYEPFDFDYQHLHTAPKAEHQPVARPRSLVSGQRMEKIEWGPNWEEILGTEFAKRRKDKNFDQVQADIYGEYENTFMMYLPRLCEHCLNPACVASCPSGAIYKREEDGIVLIDQDKCRGWRMCISGCPYKKIYFNWKSGKSEKCIFCYPRIEAGQPTVCSETCVGRIRYLGVLLYDADRIHEVASCENERELYEKQLEIFLDPFDPAVIAQARKDGVADSVIEAAQKSPVYKLAMDWKLALPLHPEYRTLPMVWYVPPLSPIQNAAAEGHIGSDGVIPDVESLRIPVQYLANLLTAGDTAPVLLALKRLLAMRAYKRAEHVEGRQDLEVLAKVGLSVEQVEEMYRYLAIANYEDRFVIPSAHREEALSDAFAERSGCGFSFGNGCSGGSNSAVNLFGGKPTNRRDVIQVVQIQE
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MK
I
R
S
QV
G
M
V
L
N
L
D
KCIGC
H
T
C
S
I
T
C
K
NVWTSREG
M
E
Y
A
W
FNNVETKPGIGYPKEWEN
Q
E
K
WKGG
W
V
RAADGSIRPRIGG
K
F
R
V
L
A
N
I
FANPDLPE
I
D
DYYEPFDF
D
Y
Q
H
LHTAPK-AE-HQPVAR
P
R
S
L
VSGQR
M
E
K
IEWGP
N
W
E
E
I
L
G
T
E
F
A
K
R
RKDK
N
F
D
Q
V
Q
A
D
I
YGE
Y
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
CL
N
P
-----
A
C
V
ASCPSG
A
I
Y
K
REED------
G
I
V
L
I
DQDKCR
G
W
R
------
M
CISGCPY
K
K
I
Y
F
N
WKSGKS
E
K
C
I
F
C
YPRIEAGQPTV
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
LY
D
A
D
R
I
H
E
V
A
SCE
N
E
R
E
L
Y
E
K
Q
L
E
I
FLDPF
D
P
A
V
I
A
Q
A
RKD-G
V
A
D
S
V
I
E
A
A
Q
KSP
V
Y
K
L
A
M
D
W
K
L
ALPLHPEYRT
L
P
M
V
W
YVPPL
S
P
I
Q
NAAA---EGHIGSDGVIP
D
V
E
SLR
I
P
V
Q
Y
L
A
N
L
LTAGD
T
A
P
V
L
L
A
L
K
R
L
L
A
M
R
A
Y
K
R
A
E
HVE
G
R
Q
D
L
E
V
L
A
K
VGL
S
V
E
Q
V
E
E
M
Y
R
Y
L
A
IANYED
R
F
V
IP
S
A
H
R
E
E
A
L
S
D
A
F
A
ERSGCGFSFGNGCSGGSN
S
A
V
N
LFGGKPT
N
R
R
D
V
I
Q
V
V
QIQE
7
PsiBlast_PDB
92.59
74%
-81
- C6 -
3IR5
6
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
9
PsiBlast_PDB
92.11
74%
-82
- C6 -
3IR7
6
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
10
PsiBlast_PDB
92.09
74%
-81
- C6 -
3EGW
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
A
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
1
PsiBlast_PDB
91.97
74%
-80
- C6 -
1Q16
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
6
PsiBlast_PDB
91.87
74%
-80
- C6 -
1Y5N
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
5
PsiBlast_PDB
91.85
74%
-81
- C6 -
1Y5L
6
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
63
Fugue
91.77
75%
-80
- C6 -
1Q16
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
G
S
D
T
K
F
-
N
L
F
N
S
R
R
I
D
A
I
D
V
T
S
K
T
E
---
4
PsiBlast_PDB
91.76
74%
-80
- C6 -
1Y5I
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
8
PsiBlast_PDB
91.72
74%
-82
- C6 -
3IR6
6
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
3
PsiBlast_PDB
91.70
74%
-78
- C6 -
1SIW
7
NARH_ECOLI
B:
[1-508]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
-
11
PsiBlast_PDB
91.68
74%
-80
- C6 -
1Y4Z
6
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
A
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
-
G
S
D
T
K
F
N
L
F
N
S
R
---
R
I
D
A
I
D
V
T
S
K
T
E
73
HHSearch
91.32
75%
-78
- C6 -
1Q16
7
NARH_ECOLI
B:
[1-509]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
-
G
S
K
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
G
I
P
-
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
AGE
L
G
---
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
A
-
R
E
A
F
P
E
K
N
G
C
G
F
T
F
G
D
G
C
H
G
S
-
D
T
K
F
N
L
F
N
S
R
R
I
D
A
I
D
V
T
S
K
T
E
---
21
PsiBlast_CBE
89.39
74%
-90
- C6 -
1R27
4
NARH_ECOLI
D:
[1-465]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
-------------------------------------------------
2
PsiBlast_PDB
88.82
74%
-87
- C6 -
1R27
4
NARH_ECOLI
B:
[1-465]
M
K
I
R
S
Q
V
G
M
V
L
N
L
D
K
C
I
G
C
H
T
C
S
V
T
C
K
N
V
W
T
S
R
E
G
V
E
Y
A
W
F
N
N
V
E
T
K
P
G
Q
G
F
P
T
D
W
E
N
Q
E
K
Y
K
G
G
W
I
R
K
I
N
G
K
L
Q
P
R
M
G
N
R
A
M
L
L
G
K
I
F
A
N
P
H
L
P
G
I
D
D
Y
Y
E
P
F
D
F
D
Y
Q
N
L
H
T
A
P
E
G
S
K
-
S
Q
P
I
A
R
P
R
S
L
I
T
G
E
R
M
A
K
I
E
K
G
P
N
W
E
D
D
L
G
G
E
F
D
K
L
A
K
D
K
N
F
D
N
I
Q
K
A
M
Y
S
Q
F
E
N
T
F
M
M
Y
L
P
R
L
C
E
H
C
L
N
P
-----
A
C
V
A
T
C
P
S
G
A
I
Y
K
R
E
E
D
------
G
I
V
L
I
D
Q
D
K
C
R
G
W
R
------
M
C
I
T
G
C
P
Y
K
K
I
Y
F
N
W
K
S
G
K
S
E
K
C
I
F
C
Y
P
R
I
E
A
G
Q
P
T
V
C
S
E
T
C
V
G
R
I
R
Y
L
G
V
L
L
Y
D
A
D
A
I
E
R
A
A
S
T
E
N
E
K
D
L
Y
Q
R
Q
L
D
V
F
L
D
P
N
D
P
K
V
I
E
Q
A
I
K
D
-
G
I
P
L
S
V
I
E
A
A
Q
Q
S
P
V
Y
K
M
A
M
E
W
K
L
A
L
P
L
H
P
E
Y
R
T
L
P
M
V
W
Y
V
P
P
L
S
P
I
Q
S
A
A
D
---
A
G
E
L
G
S
N
G
I
L
P
D
V
E
S
L
R
I
P
V
Q
Y
L
A
N
L
L
T
A
G
D
T
K
P
V
L
R
A
L
K
R
M
L
A
M
R
H
Y
K
R
A
E
T
V
D
G
K
V
D
T
R
A
L
E
E
V
G
L
T
E
A
Q
A
Q
E
M
Y
R
Y
L
A
I
A
N
Y
E
D
R
F
V
V
P
S
S
H
R
E
L
-------------------------------------------------
74
HHSearch
60.29
42%
-85
- C6 -
2IVF
10
?
B:
[16-349]
---
K
R
Q
L
V
T
V
I
D
L
N
K
C
L
G
C
Q
T
C
T
V
A
C
K
N
I
W
T
K
R
P
G
T
E
H
M
R
W
N
N
V
T
T
Y
P
G
K
G
Y
P
R
D
Y
E
R
---
K
G
G
G
F
L
R
G
---
E
P
Q
---------------
P
G
V
L
P
T
L
I
D
S
G
D
D
F
Q
F
N
H
K
E
V
F
Y
E
G
K
-
G
--
Q
T
V
H
F
H
P
T
S
K
S
T
G
K
D
---
P
A
W
G
Y
N
W
D
E
D
Q
G
G
G
K
W
P
-------------------
N
P
F
F
F
Y
L
A
R
M
C
N
H
C
T
N
P
-----
A
C
L
A
A
C
P
T
G
A
I
Y
K
R
E
D
N
------
G
I
V
L
V
D
Q
E
R
C
K
G
H
R
------
H
C
V
E
A
C
P
Y
K
A
I
Y
F
N
P
V
S
Q
T
S
E
K
C
I
L
C
Y
P
R
I
E
K
G
I
A
N
A
C
N
R
Q
C
P
G
R
V
R
A
F
G
Y
L
D
----------------------------
D
-----------------------
T
T
S
H
V
H
K
L
V
K
K
W
K
V
A
L
P
L
H
A
E
Y
G
T
G
P
N
I
Y
Y
V
P
P
M
G
A
R
G
F
G
E
D
---
G
---------
E
I
T
D
K
T
R
I
P
L
D
V
L
E
G
L
F
G
P
E
----
V
K
R
V
L
A
V
L
H
T
E
R
E
N
M
R
A
G
R
-------------------
G
S
E
L
M
D
L
L
I
S
K
K
W
S
D
R
F
G
G
F
T
N
D
P
L
--------------------------------------------------
12
PsiBlast_PDB
59.90
34%
-87
- C6 -
2IVF
10
?
B:
[16-324]
---
K
R
Q
L
V
T
V
I
D
L
N
K
C
L
G
C
Q
T
C
T
V
A
C
K
N
I
W
T
K
R
P
G
T
E
H
M
R
W
N
N
V
T
T
Y
P
G
K
G
Y
P
R
D
Y
E
R
K
---
G
G
G
F
L
R
---
G
E
P
Q
P
G
V
---------------
L
P
T
L
I
D
S
G
D
D
F
Q
F
N
H
K
E
V
F
Y
E
G
K
-
G
Q
-
T
V
H
F
-
H
P
T
S
K
S
T
G
K
---
D
P
A
W
G
Y
N
W
D
E
D
Q
G
G
-------------------
G
K
W
P
N
P
F
F
F
Y
L
A
R
M
C
N
H
C
T
N
P
-----
A
C
L
A
A
C
P
T
G
A
I
Y
K
R
E
D
N
------
G
I
V
L
V
D
Q
E
R
C
K
G
H
R
------
H
C
V
E
A
C
P
Y
K
A
I
Y
F
N
P
V
S
Q
T
S
E
K
C
I
L
C
Y
P
R
I
E
K
G
I
A
N
A
C
N
R
Q
C
P
G
R
V
R
A
F
G
Y
L
D
D
T
T
S
H
V
H
---------------------------------------------------
K
L
V
K
K
W
K
V
A
L
P
L
H
A
E
Y
G
T
G
P
N
I
Y
Y
V
P
P
M
------
G
A
---
R
G
-
F
G
E
D
G
E
I
T
D
--
K
T
R
I
P
L
D
V
L
E
G
L
F
G
P
--------
E
V
K
R
V
L
A
V
L
H
T
E
R
E
N
M
R
A
G
R
------------------------------------------------------------------------------------------
93
HHSearch
44.15
24%
-102
- C6 -
1JNR
3
?
B:
[3-67]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
F
V
N
P
E
K
C
D
G
C
--
K
ALERT
A
C
E
Y
I
C
P
N
D
L
M
T
L
D
K
E
K
M-----
K
A
Y
N
R
E
P
D
M
C
W
E
C
Y
------
S
C
V
K
M
C
P
Q
G
A
I
D
V
R
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
HHSearch
40.03
21%
-107
- C6 -
1JB0
114
PSAC_THEEB
C:
[4-65]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
K
I
Y
D
T
C
I
G
C
--
T
-----
Q
C
V
R
A
C
P
T
D
V
L
E
M
V
P
W
D
GCKAG
Q
I
A
S
S
P
R
T
E
D
C
V
G
C
K
------
R
C
E
T
A
C
P
T
D
F
L
S
I
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
HHSearch
39.23
25%
-110
- C6 -
1H98
2
FER_THET8
A:
[3-57]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
C
E
P
C
I
G
V
K
D
Q
-----
S
C
V
E
V
C
P
V
E
C
I
Y
D
G
G
--------
D
Q
F
Y
I
H
P
E
E
C
I
D
C
G
------
A
C
V
P
A
C
P
V
N
A
I
Y
P
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
HHSearch
38.96
40%
-111
- C6 -
1RGV
2
?
A:
[3-61]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
I
N
D
D
C
T
A
C
--
D
-----
A
C
V
E
E
C
P
N
E
A
I
T
P
G
--
D
------
P
I
Y
V
I
D
P
T
K
C
S
E
C
V
GAFDEP
Q
C
R
L
V
C
P
A
D
C
I
P
D
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------