@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 : Lmo2539: (2016-04-04 )
MVYLQKQDKEVFDAIKLELGRQRANIELIASENFVSEQVMEAMGSVLTNKYAEGYPGKRYYGGCEFVDIVEDLARDRAKKLFGAEYANVQPHSGAQANMAVYHTVLEPGDTVLGMNLSHGGHLTHGSPVNFSGVLYNFVEYGVREDTKEIDYDIVREAALKHKPKMIVAGASAYPRKIDFAKFREIADEVGAYLMVDMAHIAGLVAAGLHQNPVPYADFTTTTTHKTLRGPRGGMILAKAEWEQKLNKSIFPGIQGGPLMHVIAAKAVAFGEALQPEFTTYCEQIIRNSKKLAETLQANDVAVLTGGSDNHLLLIDLKPLGLTGKAAEKVLDEVGITVNKNTIPFETESPFVTSGIRVGVAAVTTRGFDEVAIEKVGVLISEVLHNLENEEVLADVKARVATLTNEYPLYPSL
Atome Classification :
(65 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MV
Y
L
QKQ
D
K
E
V
F
D
A
I
K
L
E
LGRQRA
N
I
E
L
I
ASEN
F
V
S
E
Q
V
M
E
A
M
G
S
V
L
T
N
K
YAEGYPGKRYYGG
C
E
F
V
D
I
V
E
D
L
A
R
D
R
A
K
K
L
FGAE----Y----A----NVQPHSGAQA
N
M
A
V
Y
H
T
VLEPG
D
T
V
L
G
M
NLSHGGHLTHG-----SP-------V
N
F
S
G
V
L
Y
N
F
V
E
Y
G
VRE
D
T
K
EI
D
Y
D
I
V
R
E
A
A
LKHKP
K
M
I
V
AGASAYPRKI
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
GLHQNPVPYADFTTTTTHKTLRGPRG
G
M
I
L
A
K
-
A
---------------
E
--------
W
E
Q
K
L
N
K
SIFPGIQGG
P
-
L
M
H
V
I
A
A
K
A
V
AFGEALQ
P
E
F
T
T
Y
C
E
Q
I
I
R
N
S
K
K
L
A
E
T
L-QAN
D
V
A
V
L
TGGSD
N
H
L
L
L
I
DLKPLGL
T
G
K
A
A
E
K
V
L
D
EVG
I
T
VNKNTIPFETESPFVTSG
I
R
V
G
V
A
A
VTTRG
F
D
E
V
A
I
E
K
V
G
V
L
I
S
E
---------------------
V
L
H
-----------------------NLE
N
------------------------
E
E
V
L
A
D
V
K
A
R
V
A
T
LTNEYPLYPSL
15
PsiBlast_PDB
96.29
72%
-88
- C1 -
2W7D
3
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
F
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
18
PsiBlast_PDB
96.13
72%
-86
- C1 -
2W7G
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
F
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
35
PsiBlast_CBE
95.99
72%
-87
- C1 -
2VMR
3
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
A
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
23
PsiBlast_CBE
95.84
72%
-86
- C1 -
2VMQ
6
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
A
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
111
HHSearch
95.81
72%
-88
- C1 -
2VI8
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
A
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
11
PsiBlast_PDB
95.81
72%
-88
- C1 -
2VI8
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
A
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
33
PsiBlast_CBE
95.78
72%
-85
- C1 -
2VMT
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
A
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
4
PsiBlast_PDB
95.71
72%
-87
- C1 -
1KL2
6
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
38
PsiBlast_CBE
95.69
72%
-89
- C1 -
2VMY
7
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
G
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
29
PsiBlast_CBE
95.61
72%
-87
- C1 -
2W7K
2
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
A
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
12
PsiBlast_PDB
95.55
72%
-86
- C1 -
2VIB
5
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
A
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
26
PsiBlast_CBE
95.51
72%
-85
- C1 -
2VMN
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
A
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
21
PsiBlast_CBE
95.45
72%
-87
- C1 -
1KL2
6
?
B:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
34
PsiBlast_CBE
95.44
72%
-85
- C1 -
2VMS
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
A
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
30
PsiBlast_CBE
95.44
72%
-86
- C1 -
2W7J
2
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
Y
A
E
G
Y
P
G
R
R
Y
A
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
19
PsiBlast_PDB
95.44
72%
-86
- C1 -
2W7H
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
F
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------
16
PsiBlast_PDB
95.43
72%
-86
- C1 -
2W7E
4
?
A:
[1-405]
------------
M
K
Y
L
P
Q
Q
D
P
Q
V
F
A
A
I
E
Q
E
R
K
R
Q
H
A
K
I
E
L
I
A
S
E
N
F
V
S
R
A
V
M
E
A
Q
G
S
V
L
T
N
K
F
A
E
G
Y
P
G
R
R
Y
Y
G
G
C
E
Y
V
D
I
V
E
E
L
A
R
E
R
A
K
Q
L
F
G
A
E
----
H
----
A
----
N
V
Q
P
H
S
G
A
Q
A
N
M
A
V
Y
F
T
V
L
E
H
G
D
T
V
L
G
M
N
L
S
H
G
G
H
L
T
H
G
-----
S
P
-------
V
N
F
S
G
V
Q
Y
N
F
V
A
Y
G
V
D
P
E
T
H
V
I
D
Y
D
D
V
R
E
K
A
R
L
H
R
P
K
L
I
V
A
A
A
S
A
Y
P
R
I
I
D
F
A
K
F
R
E
I
A
D
E
V
G
A
Y
L
M
V
D
M
A
H
I
A
G
L
V
A
A
G
L
H
P
N
P
V
P
Y
A
H
F
V
T
T
T
T
H
K
T
L
R
G
P
R
G
G
M
I
L
C
Q
-
E
---------------
Q
--------
F
A
K
Q
I
D
K
A
I
F
P
G
I
Q
G
G
P
-
L
M
H
V
I
A
A
K
A
V
A
F
G
E
A
L
Q
D
D
F
K
A
Y
A
K
R
V
V
D
N
A
K
R
L
A
S
A
L
-
Q
N
E
G
F
T
L
V
S
G
G
T
D
N
H
L
L
L
V
D
L
R
P
Q
Q
L
T
G
K
T
A
E
K
V
L
D
E
V
G
I
T
V
N
K
N
T
I
P
Y
D
P
E
S
P
F
V
T
S
G
I
R
I
G
T
A
A
V
T
T
R
G
F
G
L
E
E
M
D
E
I
A
A
I
I
G
L
---------------------
V
L
K
-----------------------
N
V
G
S
------------------------
E
Q
A
L
E
E
A
R
Q
R
V
A
A
L
T
D
--------