@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 : Rv0143c: (2016-04-19 )
MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGLGAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALIVAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISAGFCSLLTRRLNLSNEDGRTAVALGIGAGIGAIFAAPLGGAALGASIPYRDDFDYRNLLPGFIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHASVAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVLPIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMMACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAEAERGGSDRPTTA
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-------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAPGDW
S
V
F
A
W
HAANLPTMP
E
A
E
DIGNEAAG
G
R
F
G
V
S
IRSA
G
Y
L
R
K
W
F
L
L
G
I
T
I
G
V
I
A
G
L
G
A
V
V
F
Y
L
A
L
K
Y
T
S
E
F
L
L
G
Y
L
ADYQIPTPVGEGGHRGSTGFARP
W
--
A
I
P
L
V
TT
G
G
A
V
-
L
S
A
---
L
I
V
A
K
LAPEATGHG
T
D
E
A
I
E
S
VHGD
P
R
A
IR
G
----
R
A
V
L
-
V
K
M
V
A
S
A
LTIGSGGSGGREGPT
A
Q
I
S
A
G
F
C
S
L
L
T
R
-----RLNLS-NEDG
R
-
T
A
V
A
L
GIGA
G
I
G
A
I
F
AAPLGGAAL-GAS-IPYR---DDF
D
Y
-----
R
--
N
L
L
P
G
F
IAS
G
T
A
Y
A
V
L
G
A
F
LG
F
D
P
L
F
G
YID
A
E
Y
R
F
E
KA
W
P
L
L
W
-
F
V
V
I
G
L
I
A
A
A
V
G
Y
L
Y
A
R
V
F
H
A
S
V
A
I
T
RRLPG---GP
V
-
L
K
-----
P
A
I
G
G
L
L
---
V
G
L
LGL-
P
I
P
Q
I
L
SSGYG
W
A
QL-AADRG
T
L
L
S
I
P
L
W
I
V
I
V
L
P
I
A
K
I
L
A
T
SLSIGTGGSGGLFG
P
G
I
V
I
G
A
F
V
G
A
A
I
W
RLG
E
L
T
ELPGVPHEP
G
I
F
V
V
V
A
M
M
A
C
F
GSVSRA
P
L
A
V
M
I
M
V
AEMTGSFS-VV
P
G
A
I
I
A
V
G
I
A
A
L
L
LSR-T-N
V
T
I
Y
E
T---QRL--NRQTAEAERGGSDRPTTA-------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
94.20
28%
-103
- C5 -
1KPL
4
CLCA_SALTY
A:
[90-460]
-------------------------------------------------------------------------------------------------------------------
A
M
-
V
G
Y
---
F
L
V
R
K
F
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
E
L
R
P
V
R
W
----
W
R
V
L
P
V
K
F
I
G
G
M
G
T
L
G
A
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
L
G
R
M
V
L
D
-----
V
F
R
M
R
-
S
A
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
S
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
NLIS
I
K
--
A
V
F
T
G
V
I
M
S
S
I
V
F
R
I
---
F
N
G
E
A
P
I
---
I
E
V
G
K
L
S
D
A
P
V
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
V
V
G
P
V
F
N
S
L
V
L
R
T
Q
D
M
F
Q
R
F
H
G
---
G
E
I
-
K
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
I
L
G
L
-
I
E
P
A
A
A
G
G
G
F
N
L
I
P
I
-
A
A
A
G
N
F
S
V
G
L
L
L
F
I
F
I
----
T
R
V
V
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
L
L
G
T
A
-
F
G
M
A
A
A
V
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
M
A
A
S
V
R
A
P
L
T
G
I
V
L
V
L
E
M
T
D
N
Y
Q
L
I
L
P
M
I
I
T
C
L
G
A
T
L
L
A
Q
F
L
-
G
-
G
K
P
L
Y
S
T
I
L
A
R
T
L
--
A
K
Q
D
A
E
Q
------------------------------------------------------------------------------------------------------------------------------
33
Fugue
91.91
21%
-122
- C5 -
3ORG
2
?
A:
[3-625]
---------------------------------------
S
L
M
Y
L
L
R
L
V
C
F
L
T
L
L
G
V
T
A
A
L
F
I
F
A
V
D
L
A
V
H
G
L
E
E
L
R
M
K
I
S
R
L
--------------
A
G
R
F
A
G
Y
I
--
L
Y
V
V
S
G
V
A
L
C
L
-
L
S
T
---
F
W
C
A
V
L
S
T
E
A
E
G
S
G
L
P
Q
M
K
S
I
L
S
G
F
Y
D
K
M
R
S
ALE
L
R
V
L
F
-
A
K
A
L
G
L
I
C
A
I
G
G
G
L
P
V
G
W
E
G
P
N
V
H
I
A
C
I
I
A
H
Q
F
Y
R
LGVF
K
E
L
C
T
D
-
R
A
L
R
L
-
Q
T
L
A
A
A
C
A
V
G
L
A
S
S
F
G
A
P
L
G
G
V
L
Y
-
S
I
E
-
T
I
---------------
A
--
S
F
Y
L
V
Q
A
F
W
K
G
V
L
S
A
L
S
G
A
I
V
Y
E
L
D
V
S
R
----------
T
Q
T
L
L
-
Y
A
I
L
G
A
L
M
G
V
L
G
A
L
F
I
R
C
V
R
S
I
Y
E
L
R
M
R
H
Y
P
---
G
T
N
-
R
Y
-----
F
L
V
G
V
V
A
---
L
F
A
S
A
L
-
Q
Y
P
F
P
R
A
T
I
N
D
L
F
K
A
-
V
T
E
L
I
L
M
P
I
I
K
F
I
L
V
A
L
S
I
G
L
P
L
P
A
-----------
G
V
F
V
P
S
F
L
I
G
A
G
F
G
R
L
Y
G
E
L
M
R
V
V
F
G
N
A
I
V
--
P
G
S
Y
A
V
V
G
A
A
A
F
T
A
G
V
T
R
-
A
L
S
C
A
V
I
I
F
E
V
T
G
Q
I
R
-
H
L
V
P
V
L
I
S
V
L
L
A
V
I
V
G
N
A
-
F
-
N
R
S
L
Y
E
T
---
L
V
L
M
K
H
L
P
Y
M
P
I
L
R
R
D
R
S
P
E
M
T
A
REIMHPIEG
E
P
H
L
F
PDSE
P
Q
H
I
K
G
I
L
E
K
F
PNRL
V
F
P
V
I
D
AN
G
Y
L
L
G
A
I
S
R
KE
I
V
D
R
L
Q
HVVVPCDVSPIVVTSYSL
V
R
Q
L
H
F
L
F
V
M
LMPS
M
I
Y
V
T
E
RGKLV
G
I
V
E
REDVAYGYSN
5
PsiBlast_PDB
91.49
29%
-99
- C5 -
2HLF
1
CLCA_ECOLI
A:
[74-441]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
F
T
-
G
G
K
P
L
E
S
---
A
I
L
--
A
R
T
L
A
K
Q
E
-----------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
90.70
26%
-105
- C5 -
3ND0
1
?
A:
[75-450]
-------------------------------------------------------------------------------------------------------
W
--
L
V
T
A
L
I
S
G
G
M
V
A
L
S
F
---
W
L
M
K
R
F
A
P
D
T
S
G
S
G
I
P
Q
I
E
G
H
L
E
G
K
L
P
L
V
W
Q
----
R
V
L
P
-
I
K
L
V
G
G
F
L
S
L
G
A
G
M
L
A
G
F
E
G
P
T
I
Q
M
G
G
S
I
G
Q
M
T
G
G
-----
W
F
K
A
T
-
Q
E
N
Q
R
-
I
L
I
A
V
G
A
G
A
G
L
A
T
A
F
N
A
P
L
A
G
V
A
L
I
G
E
E
-
M
H
P
R
FRS
Q
T
L
A
Y
-----
H
--
S
L
L
F
G
C
V
---
M
A
T
I
I
L
R
M
I
R
G
Q
S
A
I
I
S
L
--
T
E
F
K
R
V
P
L
D
S
L
W
M
-
F
I
I
L
G
I
L
F
G
V
M
G
Y
T
F
N
R
G
L
F
K
V
L
D
W
F
D
R
L
P
-----
P
L
-
A
T
-----
K
W
K
G
F
L
L
G
S
I
I
G
I
L
S
L
F
P
L
P
--
L
T
D
G
G
D
N
A
V
L
W
A
F
N
S
Q
S
H
F
S
----
T
L
I
L
V
F
C
G
R
F
L
L
T
L
I
C
Y
G
S
G
A
I
G
G
I
F
A
P
M
L
G
I
A
S
I
V
S
V
A
M
A
R
H
F
H
L
L
F
P
S
Q
I
P
-
E
P
A
V
M
A
I
A
G
M
G
A
L
V
A
A
T
V
R
A
P
L
T
A
I
L
L
T
I
E
M
T
D
N
Y
F
-
V
I
L
P
L
L
V
T
C
L
V
A
S
V
V
A
E
A
-
L
-
G
G
K
P
I
Y
T
---
V
L
L
--
E
R
T
L
A
K
Q
N
R
----------------------------------------------------------------------------------------------------------------------------
32
Fugue
90.21
22%
-100
- C5 -
1KPK
-
CLCA_ECOLI
A:
[12-461]
-----------
Q
A
A
R
L
R
R
R
Q
L
I
R
Q
L
------------
L
E
R
D
K
T
P
L
A
I
L
F
M
A
A
V
V
G
T
L
V
G
L
A
A
V
A
F
D
K
G
V
A
W
L
Q
N
Q
R
M
G
A
L
V
------------
H
T
A
D
N
Y
P
L
L
L
T
--
V
A
F
L
C
S
A
V
L
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
I
E
G
A
L
E
D
Q
R
P
V
R
W
W
----
R
V
L
P
-
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
G
D
E
A
R
H
-
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
E
M
R
P
Q
---
F
R
Y
T
L
-----
I
--
S
I
K
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
F
N
H
E
V
A
L
I
D
V
--
G
K
L
S
D
A
P
L
N
T
L
W
L
-
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
-----
W
V
L
M
G
G
A
---
I
G
G
L
C
G
-
L
L
G
F
V
A
P
A
T
S
G
G
G
F
N
-
L
I
P
I
A
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
F
G
M
V
A
V
E
L
-
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
G
L
G
A
T
L
L
A
Q
F
-
T
-
G
G
K
P
L
Y
S
---
A
I
L
--
A
R
T
L
A
K
Q
E
A
E
Q
L
-------------------------------------------------------------------------------------------------------------------------
21
HHSearch
90.14
24%
-109
- C5 -
4ENE
9
CLCA_ECOLI
A:
[11-439]
-------------------------------------
L
E
R
D
K
T
P
L
A
I
L
F
M
A
A
V
V
G
T
L
V
G
L
A
A
V
A
F
D
K
G
V
A
W
L
Q
N
Q
R
M
G
A
L
V
H
T
--------------
A
D
N
Y
P
L
L
L
T
V
A
F
L
C
S
A
V
L
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
I
E
G
A
L
E
D
Q
R
P
V
R
W
W
----
R
V
L
P
-
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
G
D
E
A
R
H
-
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
-
E
M
R
P
---
Q
-
F
R
Y
TL---
I
--
S
I
K
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
--
P
L
N
T
L
W
L
-
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
GN
I
T
K
W
V
L
M
-----
G
G
A
I
G
G
L
---
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
T
A
G
N
F
S
----
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
F
G
M
V
A
V
E
L
-
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
G
L
G
A
T
L
L
A
Q
F
-
T
G
G
K
P
L
Y
S
A
---
I
L
A
--
R
T
L
A
---------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
89.93
29%
-111
- C5 -
3EJZ
2
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
-
V
-
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
89.67
29%
-109
- C5 -
4KJQ
1
CLCA_ECOLI
A:
[75-422]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
89.54
29%
-107
- C5 -
4KK6
2
CLCA_ECOLI
A:
[75-422]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
89.52
29%
-104
- C5 -
2FEC
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
Q
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
89.51
29%
-108
- C5 -
2HTL
2
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
89.45
22%
-105
- C5 -
3ND0
1
?
A:
[27-450]
------------------------------------------
L
H
P
R
T
L
V
A
A
I
V
V
G
L
I
T
G
V
L
G
A
G
F
K
S
A
V
N
N
M
L
Q
W
R
S
Q
L
A
-
Q
I
--------------
L
A
P
I
P
P
L
--
A
W
L
V
T
A
L
I
S
G
G
-
M
V
A
L
S
F
W
L
M
K
R
F
A
P
D
T
S
G
S
G
I
P
Q
I
E
G
H
L
E
G
K
L
P
L
V
W
Q
----
R
V
L
P
-
I
K
L
V
G
G
F
L
S
L
G
A
G
M
L
A
G
F
E
G
P
T
I
Q
M
G
G
S
I
G
Q
M
T
G
G
-----
W
F
K
A
T
-
Q
E
N
Q
R
-
I
L
I
A
V
G
A
G
A
G
L
A
T
A
F
N
A
P
L
A
G
V
A
L
-
I
G
E
-
E
M
H
P
---
R
-
F
R
S
-----
Q
TL
A
Y
H
S
L
L
F
G
C
V
M
A
T
I
I
L
R
M
I
R
G
Q
S
A
I
I
S
L
T
E
F
K
R
V
--
P
L
D
S
L
W
M
-
F
I
I
L
G
I
L
F
G
V
M
G
Y
T
F
N
R
G
L
F
K
V
L
D
W
F
D
R
L
P
P
L
--
A
T
K
-
W
K
-----
G
F
L
L
G
S
I
---
I
G
I
L
S
L
-
F
P
L
P
L
T
D
G
G
D
N
A
V
L
W
-
A
F
N
S
Q
S
H
----
F
S
T
L
I
L
V
F
C
G
R
F
L
L
T
L
I
C
Y
G
S
G
A
I
G
G
I
F
A
P
M
L
G
I
A
S
I
V
S
V
A
M
A
R
H
F
H
L
L
-
F
P
S
Q
I
P
E
P
A
V
M
A
I
A
G
M
G
A
L
V
A
A
T
V
R
A
P
L
T
A
I
L
L
T
I
E
M
T
D
N
Y
F
-
V
I
L
P
L
L
V
T
C
L
V
A
S
V
V
A
E
A
-
L
G
G
K
P
I
Y
T
V
---
L
L
E
--
R
T
L
A
K
Q
N
R
-----------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
89.37
29%
-108
- C5 -
4KK5
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
89.35
29%
-109
- C5 -
4ENE
9
CLCA_ECOLI
A:
[75-422]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
89.24
26%
-102
- C5 -
3Q17
1
?
A:
[75-450]
-------------------------------------------------------------------------------------------------------
W
--
L
V
T
A
L
I
S
G
G
M
V
A
L
S
F
---
W
L
M
K
R
F
A
P
D
T
S
G
S
G
I
P
Q
I
E
G
H
L
E
G
K
L
P
L
V
W
Q
----
R
V
L
P
-
I
K
L
V
G
G
F
L
S
L
G
A
G
M
L
A
G
F
E
G
P
T
I
Q
M
G
G
S
I
G
Q
M
T
G
G
-----
W
F
K
A
T
-
Q
E
N
Q
R
-
I
L
I
A
V
G
A
G
A
G
L
A
T
A
F
N
A
P
L
A
G
V
A
L
I
G
E
E
-
M
H
P
R
FRS
Q
T
L
A
Y
-----
H
--
S
L
L
F
G
C
V
---
M
A
T
I
I
L
R
M
I
R
G
Q
S
A
I
I
S
L
--
T
E
F
K
R
V
P
L
D
S
L
W
M
-
F
I
I
L
G
I
L
F
G
V
M
G
Y
T
F
N
R
G
L
F
K
V
L
D
W
F
D
R
L
P
-----
P
L
-
A
T
-----
K
W
K
G
F
L
L
G
S
I
I
G
I
L
S
L
F
P
L
P
--
L
T
D
G
G
D
N
A
V
L
W
A
F
N
S
Q
S
H
F
S
----
T
L
I
L
V
F
C
G
R
F
L
L
T
L
I
C
Y
G
S
G
A
I
G
G
I
F
A
P
M
L
G
I
A
S
I
V
S
V
A
M
A
R
H
F
H
L
L
F
P
S
Q
I
P
-
E
P
A
V
M
A
I
A
G
M
G
A
L
V
A
A
T
V
R
A
P
L
T
A
I
L
L
T
I
E
M
T
D
N
Y
F
-
V
I
L
P
L
L
V
T
C
L
V
A
S
V
V
A
E
A
-
L
-
G
G
K
P
I
Y
T
---
V
L
L
--
E
R
T
L
A
K
Q
N
R
----------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
89.22
29%
-106
- C5 -
4KJW
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
88.79
29%
-111
- C5 -
2HT3
2
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
88.67
29%
-107
- C5 -
2FED
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
Q
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
88.67
29%
-107
- C5 -
4KJP
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
88.63
29%
-109
- C5 -
2EXW
-
CLCA_ECOLI
A:
[90-437]
-------------------------------------------------------------------------------------------------------------------
A
M
-
F
G
Y
---
F
L
V
R
K
Y
A
P
E
A
G
G
S
G
I
P
E
-
I
E
G
A
L
E
D
Q
R
P
V
R
W
----
W
R
V
L
P
V
K
F
F
G
G
L
G
T
L
G
G
G
M
V
L
G
R
E
G
P
T
V
Q
I
G
G
N
I
G
R
M
V
L
D
-----
I
F
R
L
K
-
G
D
E
A
R
H
T
L
L
A
T
G
A
A
A
G
L
A
A
A
F
N
A
P
L
A
G
I
L
F
-
I
I
E
--
E
M
R
---
P
Q
F
R
Y
TLIS
I
K
--
A
V
F
I
G
V
I
M
S
T
I
M
Y
R
I
------
F
N
H
E
V
A
L
I
D
V
G
K
L
S
D
A
P
L
N
T
L
W
L
Y
L
I
L
G
I
I
F
G
I
F
G
P
I
F
N
K
W
V
L
G
M
Q
D
L
L
H
R
V
H
G
---
G
N
I
-
T
K
W
V
L
M
G
G
A
I
G
G
L
----
C
G
L
L
G
F
-
V
A
P
A
T
S
G
G
G
F
N
L
I
P
I
-
A
----
T
A
G
N
F
S
M
G
M
L
V
F
I
F
V
A
R
V
I
T
T
L
L
C
F
S
S
G
A
P
G
G
I
F
A
P
M
L
A
L
G
T
V
L
G
T
A
-
F
G
M
V
A
V
E
L
F
P
Q
Y
H
L
E
A
G
T
F
A
I
A
G
M
G
A
L
L
A
A
S
I
R
A
P
L
T
G
I
I
L
V
L
E
M
T
D
N
Y
Q
-
L
I
L
P
M
I
I
T
-
G
L
G
A
T
L
L
A
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------