@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 : SA1558: (2016-03-27 )
MSNKLESYRSEIVSLNHQILDLLSKRGELAQKIGEEKLKQGTRIYDPQREKEMLNDLIDSNKGPFNDNTIKQLFKEIFKASTDLQKSENEKHLYVSRKLKPEDTIVTFDNGGIIGDGNKSFVFGPCSVESFEQVEAVAKNLHAKGEKFIRGGAFKPRTSPYDFQGLGVEGLKILKQIKDKYDLNVVSEIVNPNDFEVADEYLDVFQIGARNMQNFELLKEAGRTKKPILLKRGLSATIEEFVYAAEYIASQGNQNIILCERGIRTYEKATRNTLDISAVPILKQGTHLPVMVDVTHSTGRKDIMLPTAKAALAVGADGVMAEVHPDPSVALSDAGQQMDLDEFQAFYDELKPLADLYNAKKLK
Atome Classification :
(27 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
N
K
L
E
S
Y
R
S
E
I
V
S
L
N
H
Q
I
L
D
L
L
S
K
R
G
E
L
A
Q
K
I
G
E
E
K
L
KQGTRIYD
P
Q
R
E
K
E
M
L
N
D
L
I
DSNKGPFN
D
N
T
I
K
Q
L
F
K
E
I
F
K
ASTDLQKSENE
K
H
L
Y
V
SRKLKPED
T
I
V
T
FDNG
G
I
-IGDGNK
S
F
V
FGPCSV
E
S
F
E
Q
V
E
A
V
A
K
N
LHAK
G
E
K
F
IRGGAFKPRTSPYDFQGLG
V
E
G
L
K
I
L
K
Q
I
K
D
KY
D
L
N
V
V
S
E
IVNPN
D
F
E
V
A
D
E
Y
L
D
V
F
Q
I
G
ARN
M
Q
N
F
E
L
L
K
E
AGRTKK
P
I
L
LKRG
L
S
A
T
I
E
E
F
V
Y
A
A
E
Y
I
A
SQGNQ
N
I
I
L
C
E
RGI--
R
T
Y
E
K
-ATRNTLDISAVPILKQGTHL
P
V
M
V
D
V
THSTGRK
D
I
M
LPTA
K
A
A
L
A
VGAD
G
V
M
A
EVHPDP
S
V
AL--SDAGQQM
D
L
D
E
F
Q
A
F
Y
D
E
L
K
P
L
A
D
L
Y
NAKKLK
2
PsiBlast_PDB
93.15
68%
-81
- C2 -
3TFC
3
?
A:
[33-374]
-------
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
E
I
G
K
I
K
-----
L
R
F
D
P
L
R
E
R
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
E
L
Q
E
E
D
H
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
-
K
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
E
S
I
K
A
K
G
L
K
L
I
R
G
G
A
F
K
P
R
T
S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
K
R
V
S
D
E
Y
G
L
G
V
I
S
E
I
V
T
P
A
D
I
E
V
A
L
D
Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
G
L
S
A
T
I
E
E
F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
D
G
V
M
A
E
V
H
P
D
P
A
V
A
L
--
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
-------------
69
Fugue
92.67
68%
-78
- C2 -
3NVT
2
?
A:
[32-381]
------
E
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
E
I
G
K
I
K
G
R
F
-----
D
P
L
R
E
R
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
E
L
Q
E
E
D
H
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
-
K
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
E
S
I
K
A
K
G
L
K
L
I
R
G
G
A
F
K
P
R
T
S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
K
R
V
S
D
E
Y
G
L
G
V
I
S
E
I
V
T
P
A
D
I
E
V
A
L
D
Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
G
L
S
A
T
I
E
E
F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
D
G
V
M
A
E
V
H
P
D
P
A
V
A
L
--
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
L
A
S
N
L
V
P
------
22
PsiBlast_CBE
92.35
68%
-87
- C2 -
3NVT
2
?
B:
[30-374]
----
L
E
E
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
--------------------
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
E
L
Q
----
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
-
K
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
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S
I
K
A
K
G
L
K
L
I
R
G
G
A
F
K
P
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S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
K
R
V
S
D
E
Y
G
L
G
V
I
S
E
I
V
T
P
A
D
I
E
V
A
L
D
Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
G
L
S
A
T
I
E
E
F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
D
G
V
M
A
E
V
H
P
D
P
A
V
A
L
--
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
-------------
21
PsiBlast_CBE
91.75
68%
-87
- C2 -
3TFC
3
?
B:
[29-374]
---
N
L
E
E
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
------------------
E
R
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
------
H
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
-
K
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
E
S
I
K
A
K
G
L
K
L
I
R
G
G
A
F
K
P
R
T
S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
K
R
V
S
D
E
Y
G
L
G
V
I
S
E
I
V
T
P
A
D
I
E
V
A
L
D
Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
G
L
S
A
T
I
E
E
F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
D
G
V
M
A
E
V
H
P
D
P
A
V
A
L
--
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
-------------
1
PsiBlast_PDB
91.67
68%
-81
- C2 -
3NVT
2
?
A:
[32-374]
------
E
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
E
I
G
K
I
K
G
-----
R
F
D
P
L
R
E
R
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
E
L
Q
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E
D
H
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
-
K
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
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S
I
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A
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G
L
K
L
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G
G
A
F
K
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R
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S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
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S
D
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G
L
G
V
I
S
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T
P
A
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V
A
L
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Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
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L
S
A
T
I
E
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F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
D
G
V
M
A
E
V
H
P
D
P
A
V
A
L
--
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
-------------
49
HHSearch
89.40
64%
-79
- C2 -
3NVT
2
?
A:
[32-380]
------
E
L
R
T
Q
V
D
Q
L
N
I
D
L
L
E
L
I
S
K
R
A
N
L
V
Q
E
I
G
K
I
K
G
-----
R
F
D
P
L
R
E
R
E
M
L
N
T
I
L
A
A
N
E
G
P
F
E
D
S
T
V
Q
K
L
F
K
E
I
F
K
A
G
L
E
L
Q
E
E
D
H
S
K
A
L
L
V
S
R
K
N
K
K
E
D
T
I
V
T
V
K
-
G
L
P
-
I
G
N
G
E
P
V
F
V
F
G
P
C
S
V
E
S
Y
E
Q
V
A
A
V
A
E
S
I
K
A
K
G
L
K
L
I
R
G
G
A
F
K
P
R
T
S
P
Y
D
F
Q
G
L
G
L
E
G
L
K
I
L
K
R
V
S
D
E
Y
G
L
G
V
I
S
E
I
V
T
P
A
D
I
E
V
A
L
D
Y
V
D
V
I
Q
I
G
A
R
N
M
Q
N
F
E
L
L
K
A
A
G
R
V
D
K
P
I
L
L
K
R
G
L
S
A
T
I
E
E
F
I
G
A
A
E
Y
I
M
S
Q
G
N
G
K
I
I
L
C
E
R
G
I
--
R
T
Y
-
E
K
A
T
R
N
T
L
D
I
S
A
V
P
I
L
K
K
E
T
H
L
P
V
M
V
D
V
T
H
S
T
G
R
K
D
L
L
L
P
C
A
K
A
A
L
A
I
E
A
--
D
G
V
M
A
E
V
H
P
D
P
A
V
AL
S
D
S
A
Q
Q
M
D
I
P
E
F
E
E
F
W
N
A
I
L
A
S
N
L
V
-------
29
PsiBlast_CBE
78.73
54%
-73
- C2 -
3PG9
4
AROF_THEMA
B:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
30
PsiBlast_CBE
78.14
54%
-76
- C2 -
1RZM
4
AROF_THEMA
B:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
25
PsiBlast_CBE
78.11
54%
-72
- C2 -
3PG9
2
AROF_THEMA
F:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
23
PsiBlast_CBE
77.75
54%
-74
- C2 -
3PG9
2
AROF_THEMA
H:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
26
PsiBlast_CBE
77.69
54%
-71
- C2 -
3PG9
2
AROF_THEMA
E:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
3
PsiBlast_PDB
77.58
54%
-75
- C2 -
1VR6
-
AROF_THEMA
A:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
28
PsiBlast_CBE
77.38
54%
-73
- C2 -
3PG9
2
AROF_THEMA
C:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
27
PsiBlast_CBE
77.31
54%
-74
- C2 -
3PG9
2
AROF_THEMA
D:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
4
PsiBlast_PDB
77.13
54%
-74
- C2 -
1RZM
3
AROF_THEMA
A:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
24
PsiBlast_CBE
76.99
54%
-73
- C2 -
3PG9
2
AROF_THEMA
G:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
6
PsiBlast_PDB
76.61
53%
-80
- C2 -
4GRS
-
AROF_THEMA
A:
[72-330]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
I
E
S
R
D
Q
I
M
K
V
A
E
F
L
A
E
V
G
I
K
V
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
Y
G
E
K
A
L
R
W
M
R
E
A
A
D
E
Y
G
L
V
T
V
T
E
V
M
D
T
R
H
V
E
L
V
A
K
Y
S
D
I
L
Q
I
G
A
R
N
S
Q
N
F
E
L
L
K
E
V
G
K
V
E
N
P
V
L
L
K
R
G
M
G
N
T
I
Q
E
L
L
Y
S
A
E
Y
I
M
A
Q
G
N
E
N
V
I
L
C
E
R
G
I
--
R
T
F
E
T
-
A
T
R
F
T
L
D
I
S
A
V
P
V
V
K
E
L
S
H
L
P
I
I
V
D
P
S
H
P
A
G
R
R
S
L
V
I
P
L
A
K
A
A
Y
A
I
G
A
D
G
I
M
V
E
V
H
P
E
P
E
K
A
L
--
S
D
S
Q
Q
Q
L
T
F
D
D
F
L
Q
L
L
K
E
L
E
A
L
G
---------
5
PsiBlast_PDB
75.99
54%
-74
- C2 -
3PG9
3
AROF_THEMA
A:
[72-336]
----------------------------------------------------------------------------------------------
V
S
R
E
F
H
P
E
D
T
V
I
--
D
L
G
D
V
K
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
41
PsiBlast_CBE
75.64
53%
-76
- C2 -
1VS1
2
?
D:
[24-271]
------------------------------------------------------------------------------------------------------
E
T
V
V
E
V
E
-
G
V
R
-
I
G
G
G
S
K
A
V
I
A
G
P
C
S
V
E
S
W
E
Q
V
R
E
A
A
L
A
V
K
E
A
G
A
H
M
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
L
G
L
E
G
L
K
L
L
R
R
A
G
D
E
A
G
L
P
V
V
T
E
V
L
D
P
R
H
V
E
T
V
S
R
Y
A
D
M
L
Q
I
G
A
R
N
M
Q
N
F
P
L
L
R
E
V
G
R
S
G
K
P
V
L
L
K
R
G
F
G
N
T
V
E
E
L
L
A
A
A
E
Y
I
L
L
E
G
N
W
Q
V
V
L
V
E
R
G
I
--
R
T
F
E
P
-
S
T
R
F
T
L
D
V
A
A
V
A
V
L
K
E
A
T
H
L
P
V
I
V
D
P
S
H
P
A
G
R
R
S
L
V
P
A
L
A
K
A
G
L
A
A
G
A
D
G
L
I
V
E
V
H
P
N
P
E
E
A
L
--
S
D
A
K
Q
Q
L
T
P
G
E
F
A
R
L
M
G
E
L
R
------------
57
HHSearch
75.63
51%
-72
- C2 -
1VR6
-
AROF_THEMA
A:
[64-336]
--------------------------------------------------------------------------------------
R
V
L
K
P
Y
K
L
V
S
R
E
F
H
P
E
D
T
V
I
D
L
G
-
D
V
K
-
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
R-
T
F
E
-
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
---
42
PsiBlast_CBE
75.12
53%
-76
- C2 -
1VS1
2
?
C:
[24-271]
------------------------------------------------------------------------------------------------------
E
T
V
V
E
V
E
-
G
V
R
-
I
G
G
G
S
K
A
V
I
A
G
P
C
S
V
E
S
W
E
Q
V
R
E
A
A
L
A
V
K
E
A
G
A
H
M
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
L
G
L
E
G
L
K
L
L
R
R
A
G
D
E
A
G
L
P
V
V
T
E
V
L
D
P
R
H
V
E
T
V
S
R
Y
A
D
M
L
Q
I
G
A
R
N
M
Q
N
F
P
L
L
R
E
V
G
R
S
G
K
P
V
L
L
K
R
G
F
G
N
T
V
E
E
L
L
A
A
A
E
Y
I
L
L
E
G
N
W
Q
V
V
L
V
E
R
G
I
--
R
T
F
E
P
-
S
T
R
F
T
L
D
V
A
A
V
A
V
L
K
E
A
T
H
L
P
V
I
V
D
P
S
H
P
A
G
R
R
S
L
V
P
A
L
A
K
A
G
L
A
A
G
A
D
G
L
I
V
E
V
H
P
N
P
E
E
A
L
--
S
D
A
K
Q
Q
L
T
P
G
E
F
A
R
L
M
G
E
L
R
------------
10
PsiBlast_PDB
74.44
53%
-76
- C2 -
1VS1
2
?
A:
[24-271]
------------------------------------------------------------------------------------------------------
E
T
V
V
E
V
E
-
G
V
R
-
I
G
G
G
S
K
A
V
I
A
G
P
C
S
V
E
S
W
E
Q
V
R
E
A
A
L
A
V
K
E
A
G
A
H
M
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
L
G
L
E
G
L
K
L
L
R
R
A
G
D
E
A
G
L
P
V
V
T
E
V
L
D
P
R
H
V
E
T
V
S
R
Y
A
D
M
L
Q
I
G
A
R
N
M
Q
N
F
P
L
L
R
E
V
G
R
S
G
K
P
V
L
L
K
R
G
F
G
N
T
V
E
E
L
L
A
A
A
E
Y
I
L
L
E
G
N
W
Q
V
V
L
V
E
R
G
I
--
R
T
F
E
P
-
S
T
R
F
T
L
D
V
A
A
V
A
V
L
K
E
A
T
H
L
P
V
I
V
D
P
S
H
P
A
G
R
R
S
L
V
P
A
L
A
K
A
G
L
A
A
G
A
D
G
L
I
V
E
V
H
P
N
P
E
E
A
L
--
S
D
A
K
Q
Q
L
T
P
G
E
F
A
R
L
M
G
E
L
R
------------
34
PsiBlast_CBE
73.99
54%
-86
- C2 -
1ZCO
3
?
B:
[25-259]
------------------------------------------------------------------------------------------------------------------------
T
I
I
A
G
P
C
S
I
E
S
R
E
Q
I
M
K
V
A
E
F
L
A
E
V
G
I
K
V
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
Y
G
E
K
A
L
R
W
M
R
E
A
A
D
E
Y
G
L
V
T
V
T
E
V
M
D
T
R
H
V
E
L
V
A
K
Y
S
D
I
L
Q
I
G
A
R
N
S
Q
N
F
E
L
L
K
E
V
G
K
V
E
N
P
V
L
L
K
R
G
M
G
N
T
I
Q
E
L
L
Y
S
A
E
Y
I
M
A
Q
G
N
E
N
V
I
L
C
E
R
G
I
--
R
T
F
E
T
-
A
T
R
F
T
L
D
I
S
A
V
P
V
V
K
E
L
S
H
L
P
I
I
V
D
P
S
H
P
A
G
R
R
S
L
V
I
P
L
A
K
A
A
Y
A
I
G
A
D
G
I
M
V
E
V
H
P
E
P
E
K
A
L
--
S
D
S
Q
Q
Q
L
T
F
D
D
F
L
Q
L
L
K
E
L
E
A
L
G
---------
70
Fugue
73.95
45%
-47
- C2 -
1RZM
3
AROF_THEMA
A:
[1-338]
M
I
V
V
L
K
P
G
S
T
E
-----
E
D
I
R
K
V
V
K
L
A
E
S
Y
N
L
K
C
H
I
S
K
G
Q
E
R
T
V
I
G
I
I
G
D
D
R
Y
V
V
A
D
K
F
E
S
L
D
C
----------
V
E
S
V
V
R
V
L
K
P
Y
K
L
--------
V
S
R
E
F
H
P
E
D
T
V
I
D
L
-
G
D
V
K
-
I
G
N
G
Y
F
T
I
I
A
G
P
C
S
V
E
G
R
E
M
L
M
E
T
A
H
F
L
S
E
L
G
V
K
V
L
R
G
G
A
Y
K
P
R
T
S
P
Y
S
F
Q
G
L
G
E
K
G
L
E
Y
L
R
E
A
A
D
K
Y
G
M
Y
V
V
T
E
A
L
G
E
D
D
L
P
K
V
A
E
Y
A
D
I
I
Q
I
G
A
R
N
A
Q
N
F
R
L
L
S
K
A
G
S
Y
N
K
P
V
L
L
K
R
G
F
M
N
T
I
E
E
F
L
L
S
A
E
Y
I
A
N
S
G
N
T
K
I
I
L
C
E
R
G
I
--
R
T
F
E
K
-
A
T
R
N
T
L
D
I
S
A
V
P
I
I
R
K
E
S
H
L
P
I
L
V
D
P
S
H
S
G
G
R
R
D
L
V
I
P
L
S
R
A
A
I
A
V
G
A
H
G
I
I
V
E
V
H
P
E
P
E
K
A
L
--
S
D
G
K
Q
S
L
D
F
E
L
F
K
E
L
V
Q
E
M
K
K
L
A
D
A
L
G
V
K
V
N
-
43
PsiBlast_CBE
73.68
53%
-78
- C2 -
1VS1
2
?
B:
[24-271]
------------------------------------------------------------------------------------------------------
E
T
V
V
E
V
E
-
G
V
R
-
I
G
G
G
S
K
A
V
I
A
G
P
C
S
V
E
S
W
E
Q
V
R
E
A
A
L
A
V
K
E
A
G
A
H
M
L
R
G
G
A
F
K
P
R
T
S
P
Y
S
F
Q
G
L
G
L
E
G
L
K
L
L
R
R
A
G
D
E
A
G
L
P
V
V
T
E
V
L
D
P
R
H
V
E
T
V
S
R
Y
A
D
M
L
Q
I
G
A
R
N
M
Q
N
F
P
L
L
R
E
V
G
R
S
G
K
P
V
L
L
K
R
G
F
G
N
T
V
E
E
L
L
A
A
A
E
Y
I
L
L
E
G
N
W
Q
V
V
L
V
E
R
G
I
--
R
T
F
E
P
-
S
T
R
F
T
L
D
V
A
A
V
A
V
L
K
E
A
T
H
L
P
V
I
V
D
P
S
H
P
A
G
R
R
S
L
V
P
A
L
A
K
A
G
L
A
A
G
A
D
G
L
I
V
E
V
H
P
N
P
E
E
A
L
--
S
D
A
K
Q
Q
L
T
P
G
E
F
A
R
L
M
G
E
L
R
------------
7
PsiBlast_PDB
73.68
54%
-84
- C2 -
1ZCO
2
?
A:
[25-259]
------------------------------------------------------------------------------------------------------------------------
T
I
I
A
G
P
C
S
I
E
S
R
E
Q
I
M
K
V
A
E
F
L
A
E
V
G
I
K
V
L
R
G
G
A
F
K
P
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T
S
P
Y
S
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Y
G
E
K
A
L
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W
M
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A
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T
V
T
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L
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A
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Y
S
D
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L
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N
S
Q
N
F
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L
L
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G
K
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P
V
L
L
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R
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M
G
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T
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L
Y
S
A
E
Y
I
M
A
Q
G
N
E
N
V
I
L
C
E
R
G
I
--
R
T
F
E
T
-
A
T
R
F
T
L
D
I
S
A
V
P
V
V
K
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H
L
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P
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--
S
D
S
Q
Q
Q
L
T
F
D
D
F
L
Q
L
L
K
E
L
E
A
L
G
---------
50
HHSearch
72.47
48%
-75
- C2 -
1VS1
2
?
A:
[10-275]
----------------------------------------------------------------------------------------
F
K
G
V
K
L
A
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R
R
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T
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V
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-
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Q
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M
G
E
L
R
W
H
R
L
--------