@TOME V2.3
(Mar 2018)
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 : B0VPT8: (2017-11-23 )
MAEFSIIDQYFNRQSHPDVALGIGDDSALITPPPNQQLVICADTLVAGRHFPLETLSHAIGWKSVAVNLSDIAAMGAKPHSILLAISLPQVDHEWLEGFSQGIYDCCNQFGVALIGGDTTQGPHLTITVTAMGWIETGKAVLRSGAKVGDYVCVSGQIGDAAYGLQHLGHSLQQRLDYPTPRCKLGEELKGLASSMIDVSDGLAQDLGHILKASKVGARLILEKLPVDPVLQQLEEQQRWQYALAGGDDYELCFTITPQNYEKLLQKQLDVKITMIGQIVEQTKLTFEHLGSDYPLQIHGYQHFA
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...
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
-------MA
E
F
S
I
I
D
Q
Y
FNRQSHP
D
V
A
L
GIGDDSALITPPPN
Q
Q
L
V
I
C
ADTLVAGRHF
P
L
E
T
L
S
H
AIGW
K
S
V
A
V
N
L
S
D
I
A
AMGAKP
H
S
I
L
L
A
I
SLP-Q-V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
QF
G
V
A
L
IGGDTTQG
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
RSGAKVG
D
Y
V
C
VSGQI
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
RLDYPTPRC
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
DVS
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
KLPV
D
P
V
L
Q
Q
L
E
E
---
Q
Q
R
W
Q
Y
A
-LAGGDD
Y
E
L
C
F
T
IT
P
Q
N
Y
E
K
L
--
L
Q
K
-Q---L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H-LGSDY
P
L
Q
I
HGYQHFA
4
PsiBlast_PDB
98.30
99%
-124
- C3 -
-
5DD7
5
?
A:
[9-313]
-------
M
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
---------------------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
21
PsiBlast_CBE
98.21
99%
-127
- C3 -
-
5D9U
4
?
B:
[9-312]
-------
M
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
-
2
PsiBlast_PDB
97.67
99%
-124
- C3 -
-
5CC8
2
?
A:
[11-306]
---------
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
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H
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A
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K
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L
I
L
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K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
-------
22
PsiBlast_CBE
97.43
99%
-124
- C3 -
-
5CM7
4
?
B:
[10-313]
--------
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
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R
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F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
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S
D
G
L
A
Q
D
L
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L
I
L
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L
P
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D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
1
PsiBlast_PDB
97.26
99%
-128
- C3 -
-
5CM7
4
?
A:
[9-313]
-------
M
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
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L
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L
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D
P
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I
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---
Q
Q
R
W
Q
Y
A
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A
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G
D
D
Y
E
L
C
F
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I
T
P
Q
N
Y
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K
L
--
L
Q
K
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Q
---
L
D
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K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
24
PsiBlast_CBE
97.15
99%
-123
- C3 -
-
5DD7
5
?
B:
[9-313]
-------
M
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
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A
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A
R
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L
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V
D
P
V
L
Q
Q
I
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---
Q
Q
R
W
Q
Y
A
-
L
A
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G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
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Q
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V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
3
PsiBlast_PDB
97.13
99%
-127
- C3 -
-
5D9U
4
?
A:
[10-313]
--------
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
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K
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V
A
V
N
L
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D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
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A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
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R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
23
PsiBlast_CBE
96.72
99%
-123
- C3 -
-
5CC8
2
?
B:
[11-306]
---------
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
-
T
G
K
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
L
--
L
Q
K
-
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
-------
29
HHSearch
89.64
98%
-75
- C3 -
-
5CM7
4
?
A:
[9-313]
-------
M
A
E
F
S
I
I
D
Q
Y
F
N
R
Q
S
H
P
D
V
A
L
G
I
G
D
D
S
A
L
I
T
P
P
P
N
Q
Q
L
V
I
C
A
D
T
L
V
A
G
R
H
F
P
L
E
T
S
P
H
A
I
G
W
K
S
V
A
V
N
L
S
D
I
A
A
M
G
A
K
P
H
S
I
L
L
A
I
S
L
P
-
Q
-
V
D
H
E
W
L
E
G
F
S
Q
G
I
Y
D
C
C
N
Q
F
G
V
A
L
I
G
G
D
T
T
Q
G
P
H
L
T
I
T
V
T
A
M
G
W
I
E
T
G
K
-
A
V
L
R
S
G
A
K
V
G
D
Y
V
C
V
S
G
Q
I
G
D
A
A
Y
G
--------------
L
Q
H
L
----------
G
H
----------
S
----------
L
Q
Q
R
L
D
Y
P
T
P
R
C
K
L
G
E
E
L
K
G
L
-
A
S
S
M
I
D
V
S
D
G
L
A
Q
D
L
G
H
I
L
K
A
S
K
V
G
A
R
L
I
L
E
K
L
P
V
D
P
V
L
Q
Q
I
E
E
---
Q
Q
R
W
Q
Y
A
-
L
A
G
G
D
D
Y
E
L
C
F
T
I
T
P
Q
N
Y
E
K
---
L
L
Q
K
Q
---
L
D
V
K
I
T
M
I
G
Q
I
V
E
Q
T
K
L
T
F
E
H
-
L
G
S
D
Y
P
L
Q
I
H
G
Y
Q
H
F
A
5
PsiBlast_PDB
65.77
43%
-71
- C3 -
-
3MCQ
8
?
A:
[8-309]
------------
L
I
Q
R
Y
F
-
R
R
A
H
P
S
A
V
L
G
V
G
D
D
A
A
L
I
Q
P
S
P
G
M
E
L
A
V
S
A
D
M
L
V
A
N
T
H
F
Y
P
N
I
D
P
W
L
I
G
W
K
S
L
A
V
N
I
S
D
M
A
A
M
G
A
Q
P
R
W
A
T
L
T
I
A
L
P
-
E
-
A
D
E
D
W
I
S
K
F
A
A
G
F
F
A
C
A
A
Q
F
D
I
A
L
I
G
G
D
T
T
R
G
P
-
L
T
I
S
V
Q
I
M
G
E
T
P
-
P
G
A
S
L
L
R
S
T
A
R
A
D
D
D
I
W
V
S
G
P
L
G
D
A
A
L
A
L
A
A
I
Q
GR
Y
P
L
S
D
T
E
L
A
A
C
----------
G
K
----------
A
----------
L
H
Q
----
P
Q
P
R
V
V
L
G
Q
A
L
R
G
L
-
A
H
S
A
L
D
I
S
D
G
L
L
A
D
L
G
H
I
L
E
H
S
Q
V
G
A
E
V
W
L
K
A
I
P
K
S
E
V
V
S
A
H
S
Q
---
E
V
A
I
Q
K
M
I
L
S
G
G
D
D
Y
E
L
C
F
T
A
S
T
Q
H
R
Q
Q
I
A
D
I
G
R
-
Q
---
L
S
L
D
M
A
V
I
G
R
I
T
D
T
Q
Q
L
V
I
H
G
-
L
-
D
D
A
P
L
T
--------
30
HHSearch
58.81
43%
-24
- C3 -
-
3MCQ
8
?
A:
[8-309]
------------
L
I
Q
R
Y
F
R
R
A
H
P
-
S
A
V
L
G
V
G
D
D
A
A
L
I
Q
P
S
P
G
M
E
L
A
V
S
A
D
M
L
V
A
N
T
H
F
Y
P
N
I
D
P
W
L
I
G
W
K
S
L
A
V
N
I
S
D
M
A
A
M
G
A
Q
P
R
W
A
T
L
T
I
A
L
P
E
A
--
D
E
D
W
I
S
K
F
A
A
G
F
F
A
C
A
A
Q
F
D
I
A
L
I
G
G
D
T
T
R
G
P
-
L
T
I
S
V
Q
I
M
G
E
T
P
P
G
A
-
S
L
L
R
S
T
A
R
A
D
D
D
I
W
V
S
G
P
L
G
D
A
A
L
A
--------------
L
A
A
I
----------
Q
G
----------
R
Y
P
L
S
D
T
E
L
A
A
C
G
K
A
L
H
Q
P
Q
P
R
V
V
L
G
Q
-
A
L
R
G
L
A
H
S
A
L
D
I
S
D
G
L
L
A
D
L
G
H
I
L
E
H
S
Q
V
G
A
E
V
W
L
K
A
I
P
K
S
E
V
V
S
A
H
S
Q
E--
V
A
I
Q
K
M
I
-
L
S
G
G
D
D
Y
E
L
C
F
T
A
S
T
Q
H
R
Q
Q
---
I
A
D
-
I
G
R
Q
L
S
L
D
M
A
V
I
G
R
I
T
D
T
Q
Q
L
V
I
H
G
L
D
D
A
P
L
T
----------
6
PsiBlast_PDB
53.20
31%
-17
- C3 -
-
3C9R
2
THIL_AQUAE
A:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
32
HHSearch
52.51
33%
-15
- C3 -
-
3C9U
4
THIL_AQUAE
B:
[42-342]
-------
L
G
E
F
G
L
I
D
L
I
K
K
T
L
----
E
S
K
V
I
G
D
D
T
A
P
V
E
Y
C
S
-
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
E
D
-
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
E
T
E
--
R
-
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
----------
E
KEEYE
P
F
E
L
A
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
---
F
---------
L
D
M
T
E
I
G
R
V
E
E
G
E
G
V
F
V
D
---
G
--
K
K
V
E
P
K
G
W
K
H
F
-
25
PsiBlast_CBE
51.79
31%
-17
- C3 -
-
3C9U
4
THIL_AQUAE
B:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
8
PsiBlast_PDB
51.77
31%
-12
- C3 -
-
3C9T
3
THIL_AQUAE
A:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
27
PsiBlast_CBE
51.74
31%
-14
- C3 -
-
3C9S
2
THIL_AQUAE
B:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
7
PsiBlast_PDB
51.69
31%
-20
- C3 -
-
3C9S
2
THIL_AQUAE
A:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
28
PsiBlast_CBE
51.52
31%
-21
- C3 -
-
3C9R
2
THIL_AQUAE
B:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
9
PsiBlast_PDB
50.96
31%
-18
- C3 -
-
3C9U
4
THIL_AQUAE
A:
[42-323]
-------
L
G
E
F
G
L
I
D
-
L
I
K
K
T
L
E
S
K
V
---
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
--
E
-
T
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
----------
L
M
EKEEYE
P
F
E
L
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
--
L
D
----------
M
T
E
I
G
R
V
E
E
-------------------------
53
Fugue
50.45
32%
7
- C3 -
-
3C9U
4
THIL_AQUAE
A:
[35-342]
FTMRLKE
L
G
E
F
G
L
I
D
L
I
K
K
T
L
E
----
S
K
V
I
G
D
D
T
A
P
V
E
Y
C
-
S
K
K
L
L
L
T
T
D
V
L
N
E
G
V
H
F
L
R
S
Y
I
P
E
A
V
G
W
K
A
I
S
V
N
V
S
D
V
I
A
N
G
G
L
P
K
W
A
L
I
S
L
N
L
P
-
E
D
L
E
V
S
Y
V
E
R
F
Y
I
G
V
K
R
A
C
E
F
Y
K
C
E
V
V
G
G
N
I
S
K
S
E
K
I
G
I
S
V
F
L
V
G
E
T
---
E
R
F
V
G
R
D
G
A
R
L
G
D
S
V
F
V
S
G
T
L
G
D
S
R
A
G
--------------
L
E
L
L
L
M
EKEEYE
P
F
E
L
----------
A
----------
L
I
Q
R
H
L
R
P
T
A
R
I
D
Y
V
K
H
I
Q
K
Y
-
A
N
A
S
M
D
I
S
D
G
L
V
A
D
A
N
H
L
A
Q
R
S
G
V
K
I
E
I
L
S
E
K
L
P
L
S
N
E
L
K
M
Y
C
E
K
Y
G
K
N
P
I
E
Y
A
-
L
F
G
G
E
D
Y
Q
L
L
F
T
H
P
K
E
R
W
N
P
F
------------
L
D
M
T
E
I
G
R
V
E
E
G
E
G
V
F
V
D
-----
G
K
K
V
E
P
K
G
W
K
H
F
-