@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 : gbs0753: (2015-12-02 )
MIELGITTFGETTILEETNQSYSHPERIRQLVAEIELADQVGLDVYGIGEHHREDFAVSAPEIVLAAGAVRTNNIRLSSAVTILSSNDPIRVYQQFSTIDALSNGRAEIMAGRGSFIESFPLFGYDLADYDDLFNEKMDMLLAINSATNLDWKGHLTQTVNERPIYPRALQRQLPIWVATGGNVDSTIRIAEQGLPIVYATIGGNPKAFRQLVHIYKEVGSRNGHKPEQLKVAAHSWGWIEEDNQTAIDRYFFPTKQTVDNIAKGRPHWSEMTKEQYLRSVGPEGAIFVGSPEVVAHKIIGLVEALELDRFMLHLPVGSMPHKDVLNAIKLYGKEVAPIVRKYFEKN
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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
I
E
L
G
I
TTFG
E
T
T
I
-L--EETNQ-----SY-----S
H
P
E
R
I
R
Q
L
V
A
E
I
E
L
A
D
QVG
L
D
V
YGIG
E
H
H
----
R
ED----------------F-------A-VSAP
E
I
V
L
A
A---G
A
V
R
TN
N
I
R
L
S
S
A
V
T
I
LSS-N-D
P
I
R
V
Y
Q
Q
F
S
T
I
D
A
LSNGR
A
E
I
MAGRG
S
----------
F
I
ESFPLFG--Y---D----L---A--------------
D
Y
---
D
D
L
F
N
E
K
M
D
M
L
L
A
INSAT----------------------NLDWKGH-
L
-
T
QT----VNE-RPI----
Y
P
R
A
-------
L
Q
-R-QL
P
I
W
V
ATGGNVD
S
T
I
R
I
AEQG
L
P
I
V
Y
A
TIGG
N
P
K
A
F
R
-
Q
L
V
H
I
Y
K
E
V
GSRNGH
K
P
E
Q
L
K
V
A
AHSWGWIEEDNQ
T
A
I
D
---------------------------
R
YFFP
T
------------
K
Q
T
-------
V
D
--------
N
-----
I
--------AK---------------GR---P------
H
W
--
S
------
E
------
M
-------------
T
K
------
E
-------
Q
---
Y
-
L
---
R
---S----VGP---------------E
G
A
I
F
VG
S
P
E
V
V
A
H
K
I
I
G
L
V
E
A
L
E
-
L
D
R
F
M
L
HLPVGSM
P
H
K
D
V
L
N
A
I
K
L
YG
K
E
V
A
P
I
V
R
K
Y
FEKN
19
HHSearch
99.90
47%
-97
- C5 -
2I7G
2
?
A:
[21-364]
G
M
E
L
G
L
Y
T
F
A
D
V
N
P
-
N
--
P
A
D
G
R
-----
G
P
-----
E
G
A
R
R
L
R
E
L
L
E
E
I
E
L
A
D
Q
V
G
L
D
V
F
G
L
G
E
H
H
----
R
P
D
----------------
Y
-------
V
-
V
S
S
P
S
T
V
L
A
A
---
A
A
V
K
T
K
N
I
R
L
T
S
A
V
S
V
L
S
S
-
D
-
D
P
V
R
V
F
Q
Q
F
S
T
V
D
L
L
S
N
G
R
A
E
I
M
A
G
R
G
S
----------
F
I
E
S
Y
P
L
F
G
--
Y
---
D
----
L
---
E
--------------
D
Y
---
D
V
L
F
A
E
K
L
D
L
L
L
A
L
R
E
Q
E
----------------------
V
V
T
W
S
G
T
K
H
P
A
I
------
N
G
-
R
G
V
----
Y
P
R
P
-------
L
Q
-
E
-
R
L
P
V
W
I
A
V
G
G
T
P
Q
S
V
A
R
A
G
A
M
G
L
P
V
A
L
A
I
I
G
G
E
Y
R
R
F
A
-
P
L
F
D
L
Y
H
E
A
A
R
R
A
G
Q
E
K
T
K
L
R
T
S
I
N
V
H
G
F
I
A
D
T
T
D
K
A
A
D
---------------------------
Q
F
Y
G
P
Q
------------
A
E
V
-------
M
N
--------
R
-----
I
--------
G
R
---------------
E
----
R
------
G
W
--
G
------
P
------
T
-------------
N
R
------
A
-------
H
---
F
-
D
---
A
---
A
----
R
G
P
---------------
E
G
N
L
F
L
G
E
P
E
L
V
A
E
K
I
I
K
A
H
G
V
F
K
-
N
D
R
F
L
L
Q
M
A
I
G
L
M
P
H
D
Q
I
M
R
G
I
E
L
Y
G
T
K
V
A
P
L
V
R
K
E
L
T
--
1
PsiBlast_PDB
99.21
47%
-95
- C5 -
2I7G
2
?
A:
[23-361]
--
E
L
G
L
Y
T
F
A
D
V
N
P
-
N
--
P
A
D
G
R
-----
G
P
-----
E
G
A
R
R
L
R
E
L
L
E
E
I
E
L
A
D
Q
V
G
L
D
V
F
G
L
G
E
H
H
----
R
P
D
----------------
Y
-------
V
-
V
S
S
P
S
T
V
L
A
A
---
A
A
V
K
T
K
N
I
R
L
T
S
A
V
S
V
L
S
S
-
D
-
D
P
V
R
V
F
Q
Q
F
S
T
V
D
L
L
S
N
G
R
A
E
I
M
A
G
R
G
S
----------
F
I
E
S
Y
P
L
F
G
--
Y
---
D
----
L
---
E
--------------
D
Y
---
D
V
L
F
A
E
K
L
D
L
L
L
A
L
R
E
Q
E
----------------------
V
V
T
W
S
G
T
-
K
-
H
P
A
----
I
N
G
-
R
G
V
----
Y
P
R
P
-------
L
Q
-
E
-
R
L
P
V
W
I
A
V
G
G
T
P
Q
S
V
A
R
A
G
A
M
G
L
P
V
A
L
A
I
I
G
G
E
Y
R
R
F
A
-
P
L
F
D
L
Y
H
E
A
A
R
R
A
G
Q
E
K
T
K
L
R
T
S
I
N
V
H
G
F
I
A
D
T
T
D
K
A
A
D
---------------------------
Q
F
Y
G
P
Q
------------
A
E
V
-------
M
N
--------
R
-----
I
--------
G
R
---------------
E
R
----------
G
W
--
G
------
P
------
T
-------------
N
R
------
A
-------
H
---
F
-
D
---
A
---
A
----
R
G
P
---------------
E
G
N
L
F
L
G
E
P
E
L
V
A
E
K
I
I
K
A
H
G
V
F
K
-
N
D
R
F
L
L
Q
M
A
I
G
L
M
P
H
D
Q
I
M
R
G
I
E
L
Y
G
T
K
V
A
P
L
V
R
K
E
L
T
--
23
HHSearch
76.22
21%
-77
- C5 -
1EZW
2
MER_METKA
A:
[3-348]
E
V
S
F
G
I
E
L
L
P
D
D
---------------------------
K
P
T
K
I
A
H
L
I
K
V
A
E
D
N
G
F
E
Y
A
W
I
C
D
H
Y
----
N
N
----------------------------
Y
S
Y
M
G
V
L
T
L
---
A
A
V
I
T
S
K
I
K
L
G
P
G
I
T
N
P
Y
T
-
R
-
H
P
L
I
T
A
S
N
I
A
T
L
D
W
I
S
G
G
R
A
I
I
G
M
G
P
G
D
-----------
K
A
T
F
D
K
M
G
--
L
---
P
----
F
---
P
CKIPIWNPEAE
D
E
V
G
P
---
A
T
A
I
R
E
V
K
E
V
I
Y
Q
Y
L
E
G
G
----------------------
P
V
E
Y
E
G
K
Y
V
-
K
T
------
G
T
-
A
D
V
----
K
A
R
S
-------
I
Q
-
G
S
D
I
P
F
Y
M
G
A
Q
-
G
P
I
M
L
K
T
A
G
E
I
A
N
G
V
L
V
N
A
S
--
N
P
K
D
F
E
-
V
A
V
P
K
I
E
E
G
A
K
E
A
G
R
S
L
D
E
I
D
V
A
A
Y
T
C
F
S
I
D
K
D
E
D
K
A
I
E
---------------------------
A
T
K
I
V
V
------------
A
F
I
-------
V
M
--------
G
-----
S
P
D
V
V
L
E
R
H
G
I
---------------
D
T
---
E
K
A
E
---
Q
I
--
A
------
E
A
-----
I
-------------
G
K
GD
F
G
T
A
I
-------
G
---
L
-
V
---
D
---
E
----
D
M
I
---------------
E
A
F
S
I
A
G
D
P
D
T
V
V
D
K
I
E
E
L
L
K
-
A
G
-
V
T
Q
V
V
V
G
S
P
I
G
----
P
D
K
E
K
A
I
E
L
V
G
Q
E
V
I
P
H
F
K
------
24
HHSearch
73.14
17%
-86
- C5 -
3RAO
4
?
A:
[21-367]
G
V
E
Y
G
F
W
L
P
I
F
G
G
W
-
L
--
R
-
N
V
N
-----
D
E
-----
S
M
P
P
T
F
E
Y
A
K
Q
T
A
Q
A
A
E
Q
L
G
F
S
T
T
L
I
A
E
L
N
----
L
N
D
----------------
I
KGVS
A
--
P
-
S
L
E
A
W
T
T
A
A
A
---
L
A
A
V
T
D
R
L
E
I
M
T
A
V
R
-
P
G
F
-
H
-
N
P
A
V
T
A
K
M
A
A
N
I
D
Q
L
S
N
G
R
F
T
L
N
V
V
S
A
W
----------
W
E
E
E
A
K
Q
Y
G
--
G
---
V
----
F
TAH
D
--------------
E
R
---
Y
D
R
T
E
E
F
V
T
I
L
K
G
L
W
K
E
E
----------------------
E
F
S
Y
K
G
N
F
Y
-
E
L
------
H
H
-
T
H
L
----
S
P
K
P
-------
V
Q
K
Q
-
G
I
K
L
Y
A
G
G
E
-
S
K
R
G
K
E
V
I
V
N
H
A
D
A
Y
V
M
H
G
G
--
T
V
E
E
V
S
-
V
K
I
E
D
M
K
N
R
R
K
K
V
T
E
E
P
L
-
Q
S
F
G
L
A
A
Y
V
I
C
R
H
T
E
E
E
A
L
E
---------------------------
E
W
R
R
I
T
------------
D
V
K
-------------------------------------------------------------
F
V
S
K
S
------
Q
------
L
E
Q
Q
V
---------
K
L
------
N
-------
D
---
Y
-
S
---
V
---
S
----
N
R
G
---------------
L
R
P
N
L
I
G
T
P
E
Q
I
A
E
R
I
L
A
F
E
K
-
V
G
-
V
T
L
L
L
L
Q
F
S
-------
P
Q
L
E
E
M
K
R
F
S
E
K
V
M
P
L
V
E
A
K
R
K
E
L
7
PsiBlast_PDB
72.70
23%
-56
- C5 -
1EZW
2
MER_METKA
A:
[16-345]
-------------------------------------
P
T
K
I
A
H
L
---
I
K
V
A
E
D
N
G
F
E
Y
A
W
I
C
D
H
Y
----
N
N
Y
----------------
S
-------
Y
-
M
G
----
V
L
T
L
---
A
A
V
I
T
S
K
I
K
L
G
P
G
I
T
N
P
Y
T
-
R
-
H
P
L
I
T
A
S
N
I
A
T
L
D
W
I
S
G
G
R
A
I
I
G
M
G
P
G
D
K
A
T
F
D
K
M
GLP
F
P
C
K
I
P
I
W
N
--
P
---
E
----
A
---
E
--------------
D
E
V
G
P
A
T
A
I
R
E
V
K
E
V
I
Y
Q
Y
L
E
G
G
----------------------
P
V
E
Y
E
G
K
-
Y
-
V
K
T
G
TAD
V
K
A
-
R
S
I
QGSD
I
P
F
Y
-------
M
G
-
A
-
Q
G
P
I
M
L
K
T
A
G
E
I
A
N
G
V
L
V
N
A
S
-----------
N
P
K
D
F
E
-
V
A
V
P
K
I
E
E
G
A
K
E
A
G
R
S
L
D
E
I
D
V
A
A
Y
T
C
F
S
I
D
K
D
E
D
K
A
I
E
---------------------------
A
----
T
------------
K
I
V
-------
V
A
--------
F
-----
I
--------
V
M
---------------
G
S
---
P
D
V
V
L
E
R
H
G
--
I
------
D
------
T
-------------
E
K
A
-----
E
-------
Q
---
I
-
A
---
E
---
A
----
I
G
K
GD
F
G
T
A
I
G
L
VD
E
D
M
I
E
A
F
S
I
A
G
D
P
D
T
V
V
D
K
I
E
E
L
L
K
A
-
G
-
V
T
Q
V
V
V
G
S
P
I
G
--
P
D
K
E
--
K
A
I
E
L
V
G
Q
E
V
I
P
H
F
K
------
30
HHSearch
72.30
23%
-76
- C5 -
1F07
3
MER_METTM
A:
[1-321]
-
M
K
F
G
I
E
F
V
P
N
---------------------------
E
P
I
E
K
I
V
K
L
V
K
L
A
E
D
V
G
F
E
Y
A
W
I
T
D
H
Y
----
N
N
----------------------------
K
N
V
Y
E
T
L
A
L
---
I
A
E
G
T
E
T
I
K
L
G
P
G
V
T
N
P
Y
V
-
R
-
S
P
A
I
T
A
S
A
I
A
T
L
D
E
L
S
N
G
R
A
T
L
G
I
G
P
G
D
-----------
K
A
T
F
D
A
L
G
--
I
---
E
----
W
---
V
--------------
K
P
---
V
S
T
I
R
D
A
I
A
M
M
R
T
L
L
A
G
E
----------------------
K
T
E
S
-
G
A
-
Q
-------------
L
M
----
G
V
K
A
-------
V
Q
-
E
-
K
I
P
I
Y
M
G
A
Q
-
G
P
M
M
L
K
T
A
G
E
I
S
D
G
A
L
I
N
A
S
--
N
P
K
D
F
E
-
A
A
V
P
L
I
K
E
G
A
E
A
A
G
K
S
I
A
D
I
D
V
A
A
Y
T
C
C
S
I
D
E
D
A
A
A
A
A
N
---------------------------
A
A
K
I
V
V
------------
A
F
I
-------
A
A
G
SP
P
P
V
F
E
R
-----
H
--------
G
L
---------------
P
A
D
T
G
K
------
K
F
--
G
------
E
L
-----
L
-------------
G
K
GD
F
G
G
A
I
-------
G
---
A
-
V
---
D
---
D
----
A
L
M
---------------
E
A
F
S
V
V
G
T
P
D
E
F
I
P
K
I
E
A
L
G
E
-
M
G
-
V
T
Q
Y
V
A
G
S
P
I
----
G
P
D
K
E
K
S
I
K
L
L
G
E
V
I
A
S
F
--------
20
HHSearch
71.52
19%
-81
- C5 -
1LUC
6
LUXA_VIBHA
A:
[1-354]
-
M
K
F
G
N
F
L
L
T
Y
Q
P
P
--------------
E
L
-----
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
H
----
F
T
E
----------------
F
G------
L
-
L
G
N
P
Y
V
A
A
A
H
---
L
L
G
A
T
E
T
L
N
V
G
T
A
A
I
V
L
P
T
-
A
-
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
----------
Y
D
K
D
F
R
V
F
G
--
T
---
D
----
M
---
D
--------------
N
S
---
R
A
L
M
D
C
W
Y
D
L
M
K
E
G
F
N
E
G
----------------------
Y
I
A
A
D
N
E
H
I
-
K
F
------
P
K
-
I
Q
L
----
N
P
S
A
-------
Y
T
Q
G
-
G
A
P
V
Y
V
V
A
E
-
S
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I
-
N
T
H
E
K
K
-
A
Q
L
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
---------------------------
I
C
R
N
F
L
------------
G
H
W
-------
Y
D
--------
S
-----
Y
--------
V
N
A
T
K
IF--------------------------------------------------------------------------------
R
---
I
----
D
Y
S
---------------
Y
E
I
N
P
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
G
-
I
D
N
I
C
C
G
F
E
A
N
-
G
S
E
E
E
I
I
A
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
Q
---
36
Fugue
70.02
18%
-72
- C5 -
1LUC
6
LUXA_VIBHA
A:
[1-355]
------
M
K
F
G
N
F
L
L
-
T
--
Y
-
Q
P
P
-----
E
L
-----
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
H
----
F
T
E
----------------
F
-------
G
L
L
G
N
P
Y
V
A
A
A
H
---
L
L
G
A
T
E
T
L
N
V
G
T
A
A
I
V
L
P
T
-
A
-
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
----------
Y
D
K
D
F
R
V
F
G
--
T
---
D
----
M
---
D
--------------
N
S
---
R
A
L
M
D
C
W
Y
D
L
M
K
E
G
F
N
E
G
----------------------
Y
I
A
A
D
N
E
---
H
I
K
----
F
P
K
-
I
Q
L
----
N
P
S
A
-------
Y
T
-
Q
-
G
G
A
P
V
Y
V
V
A
E
S
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I
-
N
T
H
E
K
K
-
A
Q
L
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
---------------------------
I
C
R
N
F
L
------------
G
H
W
-------
Y
D
--------
S
-----
Y
--------
V
N
---------------
A
T
---
K
------
I
F
---------
R
------
I
-------------
D
Y
------
S
-------
Y
---
E
-
I
---
N
------------------------------
P
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
-G
I
D
N
I
C
C
G
F
E
A
N
G
-
S
E
E
E
I
I
A
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
Q
---
22
HHSearch
69.96
20%
-77
- C5 -
1Z69
2
MER_METBF
A:
[1-327]
-
M
K
F
G
I
E
F
V
P
S
D
P
---------------------------
A
L
K
I
A
Y
Y
A
K
L
S
E
Q
Q
G
F
D
H
V
W
I
T
D
H
Y
----
N
N
----------------------------
R
D
V
Y
S
T
L
T
V
---
L
A
L
N
T
N
S
I
K
I
G
P
G
V
T
N
S
Y
T
-
R
-
N
P
A
I
T
A
S
S
I
A
S
I
A
E
I
S
G
G
R
A
V
L
G
L
G
P
G
D
-----------
K
A
T
F
D
A
M
G
--
I
---
A
----
W
---
K
--------------
K
P
---
L
A
T
T
K
E
A
I
Q
A
I
R
D
F
I
S
G
K
----------------------
K
V
S
M
D
G
E
M
I
-
K
F
------
A
G
-
A
K
L
----
A
F
K
A
----------
G
-
N
I
P
I
Y
M
G
A
Q
-
G
P
K
M
L
E
L
A
G
E
I
A
D
G
V
L
I
N
A
S
--
H
P
K
D
F
E
-
V
A
V
E
Q
I
K
K
G
A
E
K
A
G
R
D
P
S
E
V
D
V
T
A
Y
A
C
F
S
I
D
K
D
P
V
K
A
V
N
---------------------------
A
A
K
V
V
V
------------
A
F
I
-------
V
A
--------
G
-----
S
P
D
L
V
L
E
R
H
G
I
---------------
P
V
---
E
------
A
K
--
S
------
Q
I
G
A
A
--
I
-------------
A
K
------
G
D
F
G
A
L
M
G
G
---
L
-
V
---
T
---
P
----
Q
M
I
---------------
E
A
F
S
I
C
G
T
P
D
D
C
M
K
R
I
K
D
L
E
A
-
I
G
-
V
T
Q
I
V
A
G
S
P
I
G
----
P
A
K
E
K
A
I
K
L
I
G
K
E
I
I
A
K
--------
3
PsiBlast_PDB
69.74
21%
-69
- C5 -
1BRL
1
LUXA_VIBHA
A:
[16-353]
-----------------------------------
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
H
----
F
T
E
----------------
F
-------
G
-
L
L
G
N
P
Y
V
A
A
A
H
L
L
G
A
T
E
T
L
N
V
--
G
T
A
A
I
V
L
P
T
-
A
-
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
----------
Y
D
K
D
F
R
V
F
G
--
T
---
D
----
M
---
D
--------------
N
S
---
R
A
L
M
D
C
W
Y
D
L
M
---
K
E
G
F
----------------------
N
---
E
G
Y
-
I
-
A
A
D
-----
N
E
-
H
I
K
----
F
P
K
I
Q
L
N
PSAY
T
Q
-
G
-
G
A
P
V
Y
V
-
V
A
E
S
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I
N
T
H
E
K
K
A
-
Q
L
-
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
I
C
R
N
F
L
G
H
W
Y
D
S
Y
V
N
ATKIFDDSDQTK
G
Y
D
-----------------------------------------------------------------------------------
D
------
T
------
N
-------------
R
R
------
I
-------
D
---
Y
-
S
---
Y
---
E
----
I
N
P
--------------------
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
G
-
I
D
N
I
C
C
G
F
E
A
N
G
-
S
E
E
E
I
I
A
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
Q
---
4
PsiBlast_PDB
69.64
21%
-69
- C5 -
1LUC
5
LUXA_VIBHA
A:
[16-353]
-----------------------------------
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
H
----
F
T
E
----------------
F
-------
G
-
L
L
G
N
P
Y
V
A
A
A
H
L
L
G
A
T
E
T
L
N
V
--
G
T
A
A
I
V
L
P
T
-
A
-
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
----------
Y
D
K
D
F
R
V
F
G
--
T
---
D
----
M
---
D
--------------
N
S
---
R
A
L
M
D
C
W
Y
D
L
M
---
K
E
G
F
----------------------
N
---
E
G
Y
-
I
-
A
A
D
-----
N
E
-
H
I
K
----
F
P
K
I
QLNPSAY
T
Q
-
G
-
G
A
P
V
Y
V
-
V
A
E
S
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I
N
T
H
E
K
K
A
-
Q
L
-
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
I
C
R
N
F
L
G
H
W
Y
D
S
Y
V
N
A
T
K
IF--------------------------------------------------------------------------------------------------------------------------
R
------
I
-------
D
---
Y
-
S
---
Y
---
E
----
I
N
P
--------------------
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
G
-
I
D
N
I
C
C
G
F
E
A
N
G
-
S
E
E
E
I
I
A
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
Q
---
21
HHSearch
68.87
15%
-75
* C5 *
1LUC
5
LUXB_VIBHA
B:
[1-320]
-
M
K
F
G
L
F
F
L
N
F
M
N
S
--------------
K
R
-----
S
S
D
Q
V
I
E
E
M
L
D
T
A
H
Y
V
D
Q
L
K
F
D
T
L
A
V
Y
E
N
H
----
F
S
N
----------------
N
G------
V
-
V
G
A
P
L
T
V
A
G
F
---
L
L
G
M
T
K
N
A
K
V
A
S
L
N
H
V
I
T
T
-
H
-
H
P
V
R
V
A
E
E
A
C
L
L
D
Q
M
S
E
G
R
F
A
F
G
F
S
D
C
E
----------
K
S
A
D
M
R
F
F
N
--
R
---
P
----
T
---
D
--------------
S
Q
---
F
Q
L
F
S
E
C
H
K
I
I
N
D
A
F
T
T
G
----------------------
Y
C
H
P
N
N
D
F
Y
-
S
F
------
P
K
-
I
S
V
----
N
P
H
A
-------
F
T
E
G
-
G
P
A
Q
F
V
N
A
T
-
S
K
E
V
V
E
W
A
A
K
L
G
L
P
L
V
F
R
W
D
D
-
S
N
A
Q
R
K
-
E
Y
A
G
L
Y
H
E
V
A
Q
A
H
G
V
D
V
S
Q
V
R
H
K
L
T
L
L
V
N
Q
N
V
D
G
E
A
A
R
A
---------------------------
E
A
R
V
Y
L
------------
E
E
F
-------
V
R
--------
E
-----
S
--------
Y
S
---------------
N
T
----------
D
F
--
E
-------------------------------------------
Q
---
K
-----
M
---
G
----
E
L
----------------
L
S
E
N
A
I
G
T
Y
E
E
S
T
Q
A
A
R
V
A
I
E
C
C
G
-
A
A
D
L
L
M
S
F
E
S
M
-
E
D
K
A
Q
Q
R
A
V
I
D
V
V
N
A
N
I
V
----------
26
HHSearch
68.40
18%
-62
- C5 -
1RHC
5
?
A:
[2-330]
K
T
Q
I
G
Y
F
A
S
L
E
Q
Y
--------------------------
R
P
M
D
A
L
E
Q
A
I
R
A
E
K
V
G
F
D
S
V
W
V
D
D
H
F
----
H
P
W
----------------
Y
HDN
A
---
Q
-
S
A
Q
A
W
A
W
M
G
A
---
A
L
Q
A
T
K
K
V
F
I
S
T
C
I
T
C
P
I
M
R
Y
-
N
P
A
I
V
A
Q
T
F
A
T
L
R
Q
M
Y
P
G
R
V
G
V
A
V
G
A
G
E
----------
A
M
N
E
V
P
V
T
G
--
E
---
W
P
S
--
V
---
P
--------------
V
R
---
Q
D
M
T
V
E
A
V
K
V
M
R
M
L
W
E
S
D
K
---------------------
P
V
T
F
K
G
D
Y
F
-
T
L
------
D
K
-
A
F
L
----
Y
T
K
P
-------
D
D
---
E
V
P
L
Y
F
S
G
M
-
G
P
K
G
A
K
L
A
G
M
Y
G
D
H
L
M
T
V
A
A
--
A
P
S
T
L
K
N
V
T
I
P
K
F
E
E
G
A
R
E
A
G
K
D
P
S
K
M
E
H
A
M
L
I
W
Y
S
V
D
P
D
Y
D
K
A
V
E
---------------------------
A
L
R
F
W
A
------------
G
C
L
-------
V
P
--------
S
-----
M
--------
F
K
----------------
Y
---
K
------
V
Y
--
D
------
P
------
K
-------------
E
V
Q
L
H
---
A
-------
N
---
L
V
H
---
C
---
D
----
T
I
K
---------------
E
N
Y
M
C
A
T
D
A
E
E
M
I
K
E
I
E
R
F
K
E
-
A
G
-
I
N
H
F
C
L
G
N
S
S
-----
P
D
V
N
F
G
I
D
I
F
-
K
E
V
I
P
A
V
R
D
-----
5
PsiBlast_PDB
67.37
21%
-63
- C5 -
3FGC
6
LUXA_VIBHA
A:
[16-353]
-----------------------------------
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
H
----
F
T
E
----------------
F
-------
G
-
L
L
G
N
P
Y
V
A
A
A
H
L
L
G
A
T
E
T
L
N
V
--
G
T
A
A
I
V
L
P
T
-
A
-
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
----------
Y
D
K
D
F
R
V
F
G
--
T
---
D
----
M
---
D
--------------
N
S
---
R
A
L
M
D
C
W
Y
D
L
M
---
K
E
G
F
----------------------
N
---
E
G
Y
-
I
-
A
A
D
-----
N
E
-
H
I
K
----
F
P
K
I
QLNPSAY
T
Q
-
G
-
G
A
P
V
Y
V
-
V
A
E
S
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I
N
T
H
E
K
K
A
-
Q
L
-
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
I
C
R
N
F
L
G
H
W
Y
D
S
Y
V
N
A
T
K
I
FDDSDQTK
G
Y
D
F
N
K
------------
G
Q
W
-------
R
D
--------
F
-----
V
--------
L
K
-----------------------------------------------------------
R
R
------
I
-------
D
---
Y
-
S
---
Y
---
E
----
I
N
P
--------------------
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
G
-
I
D
N
I
C
C
G
F
E
A
N
G
-
S
E
E
E
I
I
A
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
Q
---
29
HHSearch
66.77
17%
-83
- C5 -
2B81
6
?
A:
[24-322]
Q
L
T
L
G
V
H
I
P
I
E
N
Y
----------------
Q
-----
F
H
A
P
T
M
E
K
Q
V
E
L
V
Q
K
A
E
Q
Y
G
F
T
G
V
W
L
R
D
V
L
----
L
Q
D
PDFGDPAT--------
G
-------
Q
-
I
Y
D
M
M
I
Y
L
T
Y
---
L
A
S
K
T
E
K
I
A
F
G
T
S
A
T
V
L
S
L
-
R
-
H
P
L
R
V
A
K
E
I
A
T
L
D
Q
L
F
P
E
R
I
M
L
G
V
S
S
G
D
----------
R
R
A
D
F
K
A
L
G
--
V
---
S
----
H
---
E
--------------
T
R
---
G
E
K
F
R
E
A
F
A
Y
L
E
E
I
L
Y
K
N
----------------------
F
P
S
I
Q
S
T
L
G
-
E
V
------
H
G
-
A
N
L
----
V
P
K
P
-------
S
K
---
R
V
P
T
F
I
T
G
F
-
S
Q
Q
N
M
E
W
F
A
E
H
G
D
G
W
M
Y
Y
P
R
--
S
P
V
H
Q
A
-
G
A
I
G
Q
W
R
E
L
V
E
D
Y
H
P
D
V
F
K
-
P
F
I
Q
P
M
H
L
D
L
S
E
D
P
N
E
R
P
T
-----------------------------------------------
P
-----------------------------------------------------------------------------------------------------------------
I
-----
R
----------------------------
L
G
Y
R
T
G
R
K
A
L
I
E
L
L
D
I
Y
K
S
-
I
G
-
V
N
H
L
F
L
A
L
F
D
G
Q
R
P
---
A
D
E
V
L
D
E
L
G
E
E
V
L
P
H
F
P
A
L
----
25
HHSearch
65.46
18%
-68
- C5 -
1NQK
-
SSUD_ECOLI
A:
[2-354]
S
L
N
M
F
W
F
L
P
T
H
G
--------
D
G
H
-----
Y
L
GTEEG
S
R
P
V
D
H
G
Y
L
Q
Q
I
A
Q
A
A
D
R
L
G
Y
T
G
V
L
I
P
T
G
R
----
S
C
----------------------------
E
D
A
W
L
V
A
A
S
---
M
I
P
V
T
Q
R
L
K
F
L
V
A
-
L
R
P
S
V
-
T
-
S
P
T
V
A
A
R
Q
A
A
T
L
D
R
L
S
N
G
R
A
L
F
N
L
V
T
G
S
----------
D
P
Q
E
L
A
G
D
G
--
V
F
L
-
D
----
H
---
S
--------------
E
R
---
Y
E
A
S
A
E
F
T
Q
V
W
R
R
L
L
Q
R
E
----------------------
T
V
D
F
N
G
K
H
I
-
H
V
------
R
G
-
A
K
L
----
L
F
P
A
-------
I
Q
Q
P
-
Y
P
P
L
Y
F
G
G
S
-
S
D
V
A
Q
E
L
A
A
E
Q
V
D
L
Y
L
T
W
G
E
--
P
P
E
L
V
K
-
E
K
I
E
Q
V
R
A
K
A
A
A
H
G
R
K
---
I
R
F
G
I
R
L
H
V
I
V
R
E
T
N
D
E
A
W
Q
---------------------------
A
A
E
R
L
I
------------
S
H
L
-------
D
D
--------
E
-----
T
--------
I
A
K
A
Q
A
A
F
AR-------------------------------DNLE--
I
-------------
S
P
------
N
-------
L
---
W
-
A
---
G
---
V
GLV-
R
G
G
---------------
A
G
T
A
L
V
G
D
G
P
T
V
A
A
R
I
N
E
Y
A
A
-
L
G
-
I
D
S
F
V
L
S
G
----
Y
P
---
H
L
E
E
A
Y
R
V
G
E
L
L
F
P
L
L
D
V
A
I
P
E
I
38
Fugue
64.68
17%
-57
- C5 -
1RHC
5
?
A:
[1-330]
-
M
K
T
Q
I
G
Y
F
-------------------
A
S
-----
L
E
Q
Y
R
P
M
D
A
L
E
Q
A
I
R
A
E
K
V
G
F
D
S
V
W
V
D
D
H
F
HPWY
H
D
N
----------------
A
-------
Q
-
S
A
Q
A
W
A
W
M
G
A
---
A
L
Q
A
T
K
K
V
F
I
S
T
C
I
T
C
P
I
M
-
R
Y
N
P
A
I
V
A
Q
T
F
A
T
L
R
Q
M
Y
P
G
R
V
G
V
A
V
G
A
G
E
----------
A
M
N
E
V
P
V
T
G
E
W
P
---
S
----
V
---
P
--------------
V
R
---
Q
D
M
T
V
E
A
V
K
V
M
R
M
L
W
E
S
D
----------------------
K
P
V
T
F
K
G
-
D
-
Y
F
T
----
L
D
K
-
A
F
L
----
Y
T
K
P
--------
D
-
D
-
E
V
P
L
Y
F
S
--
G
M
G
P
K
G
A
K
L
A
G
M
Y
G
D
H
L
M
T
V
A
A
A
P
S
T
L
K
N
-
V
T
I
P
K
F
E
E
G
A
R
E
A
G
K
D
P
S
K
M
E
H
A
M
L
I
W
Y
S
V
D
P
D
Y
D
K
A
V
E
---------------------------
A
L
R
F
W
A
------------
G
C
L
-------
V
P
--------
S
-----
M
--------
F
K
---------------
Y
K
---
V
------
Y
D
--
P
------
K
------
E
-------------
V
Q
------
L
-------
H
A
N
L
V
-
H
---
C
---
D
----
T
I
K
---------------
E
N
Y
M
C
A
T
D
A
E
E
M
I
K
E
I
E
R
F
K
E
A
-
G
-
I
N
H
F
C
L
G
N
S
-----
S
P
D
V
N
F
G
I
D
I
-
F
K
E
V
I
P
A
V
R
D
-----
32
HHSearch
64.08
16%
-76
- C5 -
3B9O
1
?
A:
[34-402]
--------------------------------------
T
D
L
N
Y
W
T
E
L
A
Q
L
L
E
K
G
K
F
D
A
L
F
L
A
D
V
V
----
G
I
Y
DVYRQSR
D
T
A
V
R
E
AVQ
I
-------
P
-
V
N
D
P
L
M
L
I
S
A
---
M
A
Y
V
T
K
H
L
A
F
A
V
T
F
-
S
T
T
Y
-
E
-
H
P
Y
G
H
A
R
R
M
S
T
L
D
H
L
T
K
G
R
I
A
W
N
V
V
T
S
H
----------
L
P
S
A
D
K
N
F
G
--
I
---
K
K
I
L
E
H
---
D
--------------
E
R
---
Y
D
L
A
D
E
Y
L
E
V
C
Y
K
L
W
E
G
S
WEDNAVIRDIENNIYTDPSKVH
E
I
N
H
S
G
K
Y
F
-
E
V
------
P
G
-
P
H
L
----
C
E
P
S
-------
P
Q
-
R
-
T
P
V
I
Y
Q
A
G
M
-
S
E
R
G
R
E
F
A
A
K
H
A
E
C
V
F
L
G
G
K
--
D
V
E
T
L
K
-
F
F
V
D
D
I
R
K
R
A
K
K
Y
G
R
N
P
D
H
I
K
M
F
A
G
I
C
V
I
V
G
K
T
H
D
E
A
M
E
---------------------------
K
L
N
S
F
Q
------------
K
Y
W
-------
S
L
--------
E
G
H
L
A
H
Y
--------
G
G
G
T
GY-----------
D
L
---
S
------
K
Y
--
S
SNDYIG
S
------
I
-------------
S
V
------
G
-------
E
---
I
-
I
---
N
---
N
M
S
KL
D
G
K
---------------
W
F
K
L
S
V
G
T
P
K
K
V
A
D
E
M
Q
Y
L
V
E
E
A
G
-
I
D
G
F
N
L
V
Q
Y
V
-------
S
P
G
T
F
V
D
F
I
E
L
V
V
P
E
L
Q
K
R
G
L
Y
R
28
HHSearch
63.72
21%
-66
- C5 -
3SDO
2
?
A:
[9-421]
H
I
H
F
G
V
L
I
Q
G
A
G
A
N
M
N
AW
K
H
P
S
V
-----
P
P
-----
D
A
S
V
N
F
D
F
Y
V
D
R
A
R
R
A
E
N
A
G
I
A
F
A
F
I
A
D
S
A
----
Y
V
T
PKSAPHF---------
L
-------
N
-
R
F
E
P
I
S
L
L
S
A
---
L
A
V
L
T
S
K
I
G
L
V
-
G
T
M
S
S
S
Y
-
S
-
E
P
Y
N
V
A
R
Q
F
A
S
L
D
L
I
S
G
G
R
A
G
W
N
V
V
T
S
S
----------
I
E
G
T
G
K
N
Y
G
--
R
---
P
HPD-
H
---
A
--------------
Q
R
---
Y
A
I
A
A
E
H
L
D
V
V
Q
G
L
W
D
S
W
DDDALVRDRATGRFFDPDKLH-
R
L
D
H
R
G
R
F
F
-
S
V
------
E
G
P
L
N
I
----
R
R
S
P
-------
Q
--
G
-
Q
P
V
I
F
Q
A
G
S
-
S
D
D
G
I
D
L
A
G
R
S
A
D
A
V
F
S
N
G
S
--
T
F
D
E
A
R
-
V
F
Y
R
R
V
K
A
A
A
A
A
A
G
R
N
P
D
H
V
K
V
F
P
G
I
G
P
I
V
G
A
T
Q
Q
E
A
D
D
---------------------------
K
Y
R
Q
V
R
D
LLS
P
R
E
A
L
A
Y
L
S
H
F
-------
F
Q
--------
Q
-----
H
--------
D
F
SVYPLDGPFPDIGTL
G
S
---
D
------
G
F
--
Q
------
S
------
T
T
D
N
I
K
R
L
A
R
E
R
KL
T
L
------
R
-------
E
---
V
-
A
Y
E
V
S
T
R
R
S
----
N
I
G
---------------
T
S
E
A
F
I
G
T
P
E
A
V
A
S
E
M
I
R
W
V
D
E
G
A
-
A
D
G
F
M
L
G
L
P
V
-------
T
G
F
G
L
D
D
F
V
D
H
V
L
P
V
L
S
A
R
G
Y
F
D
31
HHSearch
62.65
16%
-64
- C5 -
1TVL
-
MOXC_BACSU
A:
[6-412]
F
I
Q
F
G
A
M
I
H
G
V
G
G
--
T
--
T
-
D
G
W
RHPDV
D
P
-----
S
A
S
T
N
I
E
F
Y
M
K
K
A
Q
T
A
E
K
G
L
F
S
F
I
F
I
A
D
G
L
----
F
I
S
----------------
E
KSIPHFL
N
-
R
F
E
P
I
T
I
L
S
A
---
L
A
S
V
T
K
N
I
G
L
V
G
T
F
-
S
T
S
F
-
T
-
E
P
F
T
I
S
R
Q
L
M
S
L
D
H
I
S
G
G
R
A
G
W
N
L
V
T
S
P
----------
Q
E
G
A
A
R
N
H
S
--
K
SNL
P
E---
H
---
T
--------------
E
R
---
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N
S
W
EHDAFIHNKKTGQFFDQAKLH-
R
L
N
H
K
G
K
Y
F
-
Q
V
------
E
G
-
P
L
N
----
I
G
R
S
-------
K
Q
-
G
-
E
P
V
V
F
Q
A
G
S
-
S
E
T
G
R
Q
F
A
A
K
N
A
D
A
I
F
T
H
S
N
--
S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
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A
A
D
E
G
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S
V
R
I
F
P
G
I
S
P
I
V
A
D
T
E
E
E
A
E
K
---------------------------
K
Y
R
E
F
A
------------
E
L
I
PIENAVT------------------------------------------------------------------EAKARN
L
-------------
T
L
------
R
-------
E
---
V
-
A
---
Q
---
E
----
M
A
F
---------------
P
R
T
L
F
I
G
T
P
E
R
V
A
S
L
I
E
T
W
F
N
A
E
A
-
A
D
G
F
I
V
G
S
D
--------
I
P
G
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
E
R
G
L
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