@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 : PA4669: (2016-02-29 )
MSVRLSLPAPAKLNLFLHILGRRDDGYHELQTLFQFLDHGDELHFEARQDGQVRLHTEIAGVPHDSNLIVRAARGLQEASGSPQGVDIWLDKRLPMGGGIGGGSSDAATTLLALNHLWQLGWDEDRIAALGLRLGADVPVFTRGRAAFAEGVGEKLTPVDIPEPWYLVVVPQVLVSTAEIFSDPLLTRDSPAIKVRTVLEGDSRNDCQPVVERRYPEVRNALILLNKFVSARLTGTGGCVFGSFPNKAEADKVSALLPDHLQRFVAKGSNISMLHRKLETLV
Atome Classification :
(26 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
S
V
R
LSLPAP
A
-
K
L
N
L
F
L
H
I
LGRRDD
G
Y
H
E
L
Q
T
L
F
Q
---
F
LD-HGDE--------
L
H
F
E
ARQDG
Q
V
R
L
H
T
E
---------I-AG-----V--P--HD--S-N
L
I
V
R
A
A
R
G
L
Q
E
ASG------S--PQ
G
V
D
I
W
L
DKRLPMGGGIGGGS
S
D
A
A
T
T
L
L
A
L
N
H
L
W
QLGWDE
D
R
I
A
A
L
G
L
RLG---------A---------DV----------PVFTRG
R
A
A
F
A
E
G-VGE-KLT-PV-DI-P-E
P
W
Y
L
-
V
V
V
-
P
Q
-
V
L
V
S
T
A
E
I
FS--------DPLLTR---D-S------P----
A
------
I
K
-----
V
-----
R
T
V
LEGDS-------R-------------N
D
C
----------
Q
P
V
-------
V
-------
E
R
R
Y
P
---
E
V
R
N
A
L
I
L
L
N
K
----
F
--
V
--
S
A
R
--LTGTG--
G
C
V
FGSFPNKA
E
A
D
K
V
S
A
L
L
P
D
H
L
Q
R
F
V
AKGS
N
I
S
M
L
H
R
K
L
E
T
LV
1
PsiBlast_PDB
98.81
54%
-99
- C1 -
2WW4
2
ISPE_ECOLI
A:
[1-282]
--
M
R
T
Q
W
P
S
P
A
-
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
-
Y
G
D
T
--------
I
S
I
E
L
R
D
D
G
D
I
R
L
L
T
P
---------
V
-
E
G
-----
V
--
E
--
H
E
--
D
-
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
D
S
GRLP
T
--
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
---------
A
---------
D
V
----------
P
V
F
V
R
G
H
A
A
F
A
E
G
-
V
G
E
-
I
L
T
-
P
V
-
D
P
-
P
-
E
K
W
Y
L
-
V
A
H
-
P
G
-
V
S
I
P
T
P
V
I
F
K
--------
D
P
E
L
P
R
---
N
-
T
------
P
----
K
------
R
S
-----
I
-----
E
T
L
L
K
C
E
F
-------
S
-------------
N
D
C
----------
E
V
I
-------
A
-------
R
K
R
F
R
---
E
V
D
A
V
L
S
W
L
L
E
----
Y
--
A
--
P
S
R
--
L
T
G
T
G
--
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
L
E
Q
A
P
E
W
L
N
G
F
V
A
K
G
V
N
L
S
P
L
H
R
A
M
----
2
PsiBlast_PDB
98.47
54%
-103
- C1 -
1OJ4
3
ISPE_ECOL6
A:
[2-280]
---
R
T
Q
W
P
S
P
A
-
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
-
Y
G
D
T
--------
I
S
I
E
L
R
D
D
G
D
I
R
L
L
T
P
---------
V
-
E
G
-----
V
--
E
--
H
E
--
D
-
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
D
S
GRLP
T
--
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
---------
A
---------
D
V
----------
P
V
F
V
R
G
H
A
A
F
A
E
G
-
V
G
E
-
I
L
T
-
P
V
-
D
P
-
P
-
E
K
W
Y
L
-
V
A
H
-
P
G
-
V
S
I
P
T
P
V
I
F
K
--------
D
P
E
L
P
R
---
N
-
T
------
P
----
K
------
R
S
-----
I
-----
E
T
L
L
K
C
E
F
-------
S
-------------
N
D
C
----------
E
V
I
-------
A
-------
R
K
R
F
R
---
E
V
D
A
V
L
S
W
L
L
E
----
Y
--
A
--
P
S
R
--
L
T
G
T
G
--
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
L
E
Q
A
P
E
W
L
N
G
F
V
A
K
G
V
N
L
S
P
L
H
R
------
21
PsiBlast_CBE
98.36
54%
-99
- C1 -
2WW4
3
ISPE_ECOLI
B:
[1-282]
--
M
R
T
Q
W
P
S
P
A
-
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
-
Y
G
D
T
--------
I
S
I
E
L
R
D
D
G
D
I
R
L
L
T
P
---------
V
-
E
G
-----
V
--
E
--
H
E
--
D
-
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
DSGRLP
T
--
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
---------
A
---------
D
V
----------
P
V
F
V
R
G
H
A
A
F
A
E
G
-
V
G
E
-
I
L
T
-
P
V
-
D
P
-
P
-
E
K
W
Y
L
-
V
A
H
-
P
G
-
V
S
I
P
T
P
V
I
F
K
--------
D
P
E
L
P
R
---
N
-
T
------
P
----
K
------
R
S
-----
I
-----
E
T
L
L
K
C
E
F
-------
S
-------------
N
D
C
----------
E
V
I
-------
A
-------
R
K
R
F
R
---
E
V
D
A
V
L
S
W
L
L
E
----
Y
--
A
--
P
S
R
--
L
T
G
T
G
--
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
L
E
Q
A
P
E
W
L
N
G
F
V
A
K
G
V
N
L
S
P
L
H
R
A
M
----
22
HHSearch
98.14
55%
-98
- C1 -
2WW4
2
ISPE_ECOLI
A:
[1-281]
--
M
R
T
Q
W
P
S
P
A
-
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
---
T
L
Q
T
L
F
Q
F
L
D
-
Y
G
D
T
--------
I
S
I
E
L
R
D
D
G
D
I
R
L
L
T
P
---------
V
-
E
G
-----
V
--
E
--
H
E
--
D
-
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
D
S
GRLP
T
--
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
---------
A
---------
D
V
----------
P
V
F
V
R
G
H
A
A
F
A
E
G
-
V
G
E
-
I
L
T
-
P
V
-
D
P
-
P
-
E
K
W
Y
L
-
V
A
H
-
P
G
-
V
S
I
P
T
P
V
I
F
K
--------
D
P
E
L
P
R
---
N
-
T
------
P
----
K
------
R
S
-----
I
-----
E
T
L
L
K
C
E
F
-------
S
-------------
N
D
C
----------
E
V
I
-------
A
-------
R
K
R
F
R
---
E
V
D
A
V
L
S
W
L
L
E
-------
Y
A
-
P
S
R
--
L
T
G
T
G
--
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
L
E
Q
A
P
E
W
L
N
G
F
V
A
K
G
V
N
L
S
P
L
H
R
A
-----
46
Fugue
77.94
35%
-88
- C1 -
1UEK
-
ISPE_THET8
A:
[1-268]
----
M
E
R
L
A
P
A
-
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
-
L
A
D
R
--------
L
V
V
E
P
V
S
S
G
-----
L
H
---------
F
-
Q
G
-----
P
--
Y
--
G
R
--
E
-
N
L
A
Y
R
A
A
S
L
Y
L
E
A
A
G
------
Q
--
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
E
V
D
---
L
F
A
L
A
R
T
L
G
---------
A
---------
D
V
----------
P
F
F
L
L
G
R
G
A
E
A
R
G
-
V
G
E
-
R
L
K
-
P
L
-
A
L
-
P
-
P
V
P
A
V
-
V
F
F
-
P
G
-
L
R
V
P
T
P
L
V
Y
R
--------
A
V
R
P
E
D
---
F
-
G
------
P
----
D
------
L
P
-----
V
-----
E
A
I
L
E
A
L
A
R
GEEPPY
W
-------------
N
S
L
----------
E
G
P
-------
A
-------
F
R
L
F
P
---
E
L
K
E
V
R
G
R
M
R
A
----
L
GL
R
--
G
V
L
--
M
S
G
S
G
--
S
A
F
F
G
L
A
E
G
P
D
H
A
R
R
A
A
E
A
L
R
A
W
G
R
A
W
A
G
T
L
G
G
G
-----------
25
HHSearch
73.13
36%
-87
- C1 -
1UEK
-
ISPE_THET8
A:
[1-258]
----
M
E
R
L
A
P
A
-
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
-
L
A
D
R
--------
L
V
V
E
P
V
S
S
G
-
L
H
F
Q
--------------
G
-----
P
--
Y
--
G
R
--
E
-
N
L
A
Y
R
A
A
S
L
Y
L
E
A
A
G
------
Q
--
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
---
E
V
D
L
F
A
L
A
R
T
L
G
---------
A
---------
D
V
----------
P
F
F
L
L
G
R
G
A
E
A
R
G
-
V
G
E
-
R
L
K
-
P
L
-
A
L
-
P
-
P
V
P
A
V
-
V
F
F
-
P
G
-
L
R
V
P
T
P
L
V
Y
R
--------
A
V
R
P
E
D
---
F
G
P
------
D
----
L
P
V
E
A
I
L
E
A
-----
L
-----
A
R
G
E
E
P
P
Y
-------
W
-------------
N
S
L
----------
E
G
P
-------
A
-------
F
R
L
F
P
---
E
L
K
E
V
R
G
R
M
R
A
----
L
--
G
LR
G
V
L
--
M
S
G
S
G
--
S
A
F
F
G
L
A
E
G
P
D
H
A
R
R
A
A
E
A
L
R
A
W
G
---------------------
3
PsiBlast_PDB
67.89
39%
-84
- C1 -
1UEK
-
ISPE_THET8
A:
[5-239]
--------
A
P
A
-
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
-
L
A
D
R
--------
L
V
V
E
P
V
S
S
G
---
L
H
F
Q
------------
G
-----
P
--
Y
--
G
R
--
E
-
N
L
A
Y
R
A
A
S
L
Y
L
E
A
A
G
------
Q
--
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
---
A
E
V
D
L
F
A
L
A
R
T
L
G
---------
A
---------
D
V
----------
P
F
F
L
L
G
R
G
A
E
A
R
G
-
V
G
E
-
R
L
K
-
P
L
-
A
L
-
P
-
P
V
P
A
V
-
V
F
F
-
P
G
-
L
R
V
P
T
P
L
V
Y
R
--------
A
V
R
P
E
D
---
F
-
G
------
P
----
D
------
L
P
-----
V
-----
E
A
I
L
E
A
L
A
-------
R
-------------
G
E
E
----------
P
P
Y
WNSLE
G
P
A
-------
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
-----
L
--
R
--
G
V
L
--
M
S
G
S
G
--
S
A
F
F
G
----------------------------------------
48
Fugue
67.00
16%
-84
- C1 -
1H72
3
KHSE_METJA
C:
[1-296]
M
K
V
R
V
K
A
P
C
T
S
A
N
L
G
V
G
F
D
------------
V
F
G
L
C
---
L
K
E
-
P
Y
D
V
--------
I
E
V
E
A
I
D
D
K
E
I
I
I
E
V
D
---------
D
-
K
N
-----
I
--
P
--
T
D
PD
K
-
N
V
A
G
I
V
A
K
K
M
I
D
D
F
N
------
I
--
G
K
G
V
K
I
T
I
K
K
G
V
K
A
G
S
G
L
G
S
S
A
A
S
S
A
G
T
A
Y
A
I
N
E
L
F
K
L
N
L
D
K
L
K
L
V
D
Y
A
S
Y
G
E
---------
L
---------
A
S
SGAKHADNV-
A
P
A
I
F
G
G
F
T
M
V
T
N
-
Y
E
P
L
E
V
L
-
H
I
-
P
I
-
D
-
F
K
L
D
I
-
L
I
A
I
P
N
-
I
S
I
N
T
K
E
A
R
E
ILPKAVGL
K
D
L
V
N
N
---
V
-
G
------
K
----
A
------
C
G
-----
M
-----
V
Y
A
L
Y
N
K
D
-------
K
-------------
S
L
F
GRYMMSDKVI
E
P
V
-------
R
-------
G
K
L
I
P
---
N
Y
F
K
I
K
E
E
V
K
D
K---
V
--
Y
--
G
I
T
--
I
S
G
S
G
--
P
S
I
I
A
F
P
K
-
E
E
F
I
D
E
V
E
N
I
L
R
D
Y
Y
E
N
T
I
R
T
E
V
G
K
G
V
E
V
V
------
24
HHSearch
66.94
28%
-78
- C1 -
3PYF
1
ISPE_MYCTU
A:
[5-281]
---
S
V
T
V
R
V
P
G
-
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
V
D
E
--------
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
---------
G
A
D
Q
-----
L
--
P
T-
D
E
--
R
-
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
------
R
--
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
E
L
A
-
T
V
-
L
S
R
N
-
T
F
H
W
V
-
L
A
F
-
A
D
-
S
G
L
L
T
S
A
V
Y
N
--------
E
L
D
R
L
R
---
E
-
V
GD
P
P
R
L
G
E
---
P
G
P
V
L
--
A
A
L
A
A
GD
P
-----
D
Q
L
A
-
P
L
L
-------
G
-------------
N
E
M
----------
Q
A
A
-------
A
-------
V
S
L
D
P
---
A
L
A
R
A
L
R
A
G
V
E
----
A
--
G
AL
A
G
I
--
V
S
G
S
G
--
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
S
G
A
----------------------
8
PsiBlast_PDB
66.10
30%
-87
- C1 -
2V8P
5
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
28
HHSearch
65.70
18%
-83
- C1 -
1H72
3
KHSE_METJA
C:
[1-281]
--
M
K
V
R
V
K
A
P
C
-
T
S
A
N
L
----
G
V
G
F
D
------
V
F
G
L
---
C
L
K
E
P
Y
D
V
--------
I
E
V
E
A
I
D
D
K
E
I
I
I
E
V
D
---------
D
-
K
N
-----
I
--
P
TD
P
D
--
K
-
N
V
A
G
I
V
A
K
K
M
I
D
D
F
N
------
I
--
G
K
G
V
K
I
T
I
K
K
G
V
K
A
G
S
G
L
G
S
S
A
A
S
S
A
G
T
A
Y
A
I
N
E
L
F
K
L
N
L
D
K
L
K
L
V
D
Y
A
S
Y
G
E
LASSGAKHA
D
---------
N
V
----------
A
P
A
I
F
G
G
F
T
M
V
T
N
-
Y
E
P
L
E
V
L
-
H
I
-
P
I
-
D
F
K
L
D
I
L
-
I
A
I
-
P
N
-
I
S
I
N
T
K
E
A
R
E
--------
I
L
P
K
A
V
---
G
-
L
------
K
DLVN
N
V-----
G
K
-----
A
-----
C
G
M
V
Y
A
L
Y
-------
N
KDKSLFGRYMMSD
K
V
I
----------
E
P
V
-------
R
-------
G
K
L
I
P
---
N
Y
F
K
I
K
E
E
V
K
D
----
K
--
V
Y-
G
I
T
--
I
S
G
S
G
--
P
S
I
I
A
F
P
K
E
E
-
F
I
D
E
V
E
N
I
L
R
D
Y
Y
---------------------
23
HHSearch
65.30
28%
-78
- C1 -
2V8P
5
ISPE_AQUAE
A:
[2-256]
-
S
H
M
I
K
V
L
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
R
E
G
V
---
L
R
V
E
T
N
-----------
I
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
E
I
-
S
G
K
I
T
-
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
--------
S
L
R
E
E
H
---
F
-
V
T
P
----
E
----
Y
A
E
E
K
I
-
Q
R
-----
I
-----
I
S
G
E
V
E
E
I
-------
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
N
E
V
Y
R
F
V
E
Y
----
L
--
G
F
-
K
P
F
--
V
S
G
S
G
--
S
T
V
Y
F
F
G
G
A
S
E
E
L
K
-------------------------------
6
PsiBlast_PDB
65.23
30%
-88
- C1 -
2V2Z
5
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
47
Fugue
65.18
17%
-78
- C1 -
1H74
2
KHSE_METJA
A:
[1-296]
M
K
V
R
V
K
A
P
C
T
S
-
A
-
N
L
----------
G
V
G
F
D
V
F
G
L
C
---
L
K
E
-
P
Y
D
V
--------
I
E
V
E
A
I
D
D
K
E
I
I
I
E
V
D
---------
D
-
K
N
-----
I
--
P
--
T
D
PD
K
-
N
V
A
G
I
V
A
K
K
M
I
D
D
F
N
------
I
--
G
K
G
V
K
I
T
I
K
K
G
V
K
A
G
S
G
L
G
S
S
A
A
S
S
A
G
T
A
Y
A
I
N
E
L
F
K
L
N
L
D
K
L
K
L
V
D
Y
A
S
Y
G
E
---------
L
A
S
SGAKHA
D
N
V
----------
A
P
A
I
F
G
G
F
T
M
V
T
N
-
Y
E
P
L
E
V
L
-
H
I
-
P
I
-
D
-
F
K
L
D
I
-
L
I
A
I
P
N
-
I
S
I
N
T
K
E
A
R
E
ILPKAVG
L
K
D
L
V
N
N
---
V
-
G
------
K
----
A
------
C
G
-----
M
-----
V
Y
A
L
Y
N
K
D
-------
K
-------------
S
L
F
G
R
Y
M
M
SDKVI
E
P
V
-------
R
-------
G
K
L
I
P
---
N
Y
F
K
I
K
E
E
V
K
D
K---
V
--
Y
--
G
I
T
--
I
S
G
S
G
--
P
S
I
I
A
F
P
K
-
E
E
F
I
D
E
V
E
N
I
L
R
D
Y
Y
E
N
T
I
R
T
E
V
G
K
G
V
E
V
V
------
7
PsiBlast_PDB
65.06
30%
-89
- C1 -
2V34
7
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
5
PsiBlast_PDB
64.52
30%
-87
- C1 -
2V2V
9
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
9
PsiBlast_PDB
64.40
30%
-87
- C1 -
2VF3
6
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
49
Fugue
63.51
17%
-77
- C1 -
1FWK
1
KHSE_METJA
A:
[1-296]
M
K
V
R
V
K
A
P
C
T
S
A
N
L
G
V
----------
G
F
D
V
F
G
L
C
L
K
---
E
P
---
Y
D
V
--------
I
E
V
E
A
I
D
D
K
E
I
I
I
E
V
D
---------
D
-
K
N
-----
I
--
P
--
T
D
PD
K
-
N
V
A
G
I
V
A
K
K
M
I
D
D
F
N
------
I
--
G
K
G
V
K
I
T
I
K
K
G
V
K
A
G
S
G
L
G
S
S
A
A
S
S
A
G
T
A
Y
A
I
N
E
L
F
K
L
N
L
D
K
L
K
L
V
D
Y
A
S
Y
G
E
---------
L
---------
A
S
SGAKHA
D
N
V
A
P
A
I
F
G
G
F
T
M
V
T
N
Y
-
E
P
L
-
E
V
L
-
H
I
-
P
I
-
D
-
F
K
L
D
I
-
L
I
A
I
P
N
-
I
S
I
N
T
K
E
A
R
E
I
LPKAVG
L
K
D
L
V
N
N
---
V
-
G
------
K
----
A
------
C
G
-----
M
-----
V
Y
A
L
Y
N
K
D
-------
K
-------------
S
L
F
----------
G
R
Y
-------
M
M
SDKVI
E
P
V
R
G
K
---
L
I
P
N
Y
F
K
I
K
E
E
V
KDK
V
--
Y
--
G
I
T
--
I
S
G
S
G
--
P
S
I
I
A
F
P
K
-
E
E
F
I
D
E
V
E
N
I
L
R
D
Y
Y
E
N
T
I
R
T
E
V
G
K
G
V
E
V
V
------
4
PsiBlast_PDB
62.88
30%
-89
- C1 -
2V2Q
8
ISPE_AQUAE
A:
[9-246]
--------
S
P
A
-
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
-
F
Y
D
E
--------
I
Y
I
---
R
E
G
V
L
R
V
E
T
N
---------
I
--
G
-----
I
--
P
--
Q
E
--
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
------
I
--
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
---------
A
---------
D
A
----------
P
F
F
L
L
G
K
S
A
I
G
R
G
-
K
G
E
-
V
L
E
-
P
V
-
E
T
-
E
-
I
S
G
K
I
T
L
V
I
-
P
Q
-
V
S
S
S
T
G
R
V
Y
S
S
LRE----
E
H
F
V
T
P
---
E
-
Y
------
A
----
E
------
E
K
-----
I
-----
Q
R
I
I
S
G
E
V
EEI----
E
-------------
N
V
L
----------
G
D
I
-------
A
-------
R
E
L
Y
P
---
E
I
-
N
E
V
Y
R
F
V
E
----
Y
--
L
--
G
F
K
P
F
V
S
G
S
G
--
S
T
V
Y
-----------------------------------------
33
HHSearch
56.57
18%
-71
- C1 -
1KKH
2
MVK_METJA
A:
[2-304]
R
G
S
H
M
I
I
E
T
P
S
-
K
V
I
L
F
----
G
E
H
A
V
-
V
Y
G
Y
R
A
I
S
M
---
A
I
D
-
L
T
S
T
--------
I
E
I
K
E
T
Q
E
D
E
I
I
L
N
L
N
DLN
K
S
L
G
L
N
L
-
N
E
IKNIN
P
NN
F
--
G
D
--
F
-
K
Y
C
L
C
A
I
K
N
T
L
D
Y
L
N
------
I
EP
K
T
G
F
K
I
N
I
S
S
K
I
P
I
S
C
G
L
G
S
S
A
S
I
T
I
G
T
I
K
A
V
S
G
F
Y
N
K
E
L
K
D
D
E
I
A
K
L
G
Y
M
V
E
---------
K
E
I
Q
GKASIT
D
T
----------
S
T
I
T
Y
K
G
I
L
E
I
K
N
N
K
F
R
-
K
I
K
G
E
F
E
E
F
L
K
-
N
C
K
F
L
-
I
V
Y
-
A
E
K
R
K
K
K
T
A
E
L
V
N
--------
E
V
A
K
I
E
N
K
D
E
-
I
F
-----
K
----
E
I
D
K
V
I
D
E
A
-----
L
K
IKN
K
E
D
F
G
--
K
L
-------
M
-------------
T
K
N
----------
H
E
L
L
K
K
----
L
-------
N
I
S
T
P
---
K
L
D
R
I
V
D
I
G
N
R
----
F
--
G
F-
G
A
K
--
L
T
G
A
G
GG
G
C
V
I
I
L
V
N
E
E
K
E
-
K
E
L
L
K
E
L
N
------------------------
15
PsiBlast_PDB
50.91
37%
-67
- C1 -
4ED4
1
?
A:
[18-174]
----
V
T
V
R
A
P
G
-
K
V
N
L
Y
L
A
V
G
D
L
----
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
A
D
D
--------
V
T
V
---
R
D
A
D
V
-
L
S
I
D
---------
V
-
V
G
QGEGT
V
--
P
--
T
D
--
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
------
R
--
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
Q
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
49.79
37%
-64
- C1 -
4EMD
2
?
A:
[18-174]
----
V
T
V
R
A
P
G
-
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
A
D
D
--------
V
T
V
---
R
D
A
D
V
-
L
S
I
D
---------
V
-
V
G
QGEGT
V
--
P
--
T
D
--
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
------
R
--
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
Q
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
47.09
37%
-63
- C1 -
4DXL
3
?
A:
[18-174]
----
V
T
V
R
A
P
G
-
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
A
D
D
--------
V
T
V
---
R
D
A
D
V
-
L
S
I
D
---------
V
-
V
G
QGEGT
V
--
P
--
T
D
--
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
------
R
--
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
Q
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
45.47
38%
-54
- C1 -
3PYG
1
ISPE_MYCTU
A:
[11-162]
---------
P
G
-
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
-------------------------
E
--
R
-
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
------
R
--
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
E
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
45.32
38%
-55
- C1 -
3PYD
1
ISPE_MYCTU
A:
[11-162]
---------
P
G
-
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
-------------------------
E
--
R
-
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
------
R
--
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
E
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
44.85
38%
-55
- C1 -
3PYE
1
ISPE_MYCTU
A:
[11-162]
---------
P
G
-
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
-
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
-------------------------
E
--
R
-
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
------
R
--
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
---------
S
---------
D
V
----------
P
F
A
L
H
G
G
T
A
L
G
T
G
-
R
G
E
-
E
L
A
-
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------