@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 : gbs1179: (2015-12-06 )
MIKTIQKELEGLDIRFDEPLKKYTYTKVGGPADYLAFPRNRLELSRIVKFANSQNIPWMVLGNASNIIVRDGGIRGFVIMFDKLSTVTVNGYVIEAEAGANLIETTRIARYHSLTGFEFACGIPGSVGGAVFMNAGAYGGEIAHILLSAQVLTPQGELKTIEARNMQFGYRHSVIQESGDIVISAKFALKPGDHLMITQEMDRLTYLRELKQPLEYPSCGSVFKRPPGHFAGQLISEAHLKGQRIGGVEVSQKHAGFMVNIAEGSAQDYENLIEHVINTVESTSGVHLEPEVRIIGESLL
Atome Classification :
(21 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)
(Ligand)
(Uniprot)
---M
I
K
T
I
Q
--
K
E
LEGL
D
I
RFDEP
L
K
K
YTYTKVGGP
A
D
Y
LAF
P
R
N
R
L
E
L
S
R
I
V
K
F
ANSQNI
P
W
M
V
LGNA
S
N
I
I
V
-RDGG
I
R
G
F
V
I
-
M
F
----DK-L-
S
T
V
T
V----N
G
--
Y
V
I
E
AEAGAN
L
I
E
T
T
R
I
A
R
Y
HSLTG
F
E
F
ACGIPGSVG
G
A
V
F
M
NAGAYG
G
E
I
A
H
I
L
L
S
A
Q
-
V
LT-P-Q-G
E
L
K
T
I
E
ARNMQFG
Y
R
-----
H
S
V
I
----Q-E---SG
D
-------
I
V
I
S
A
K
F
A--LKP----------G
D
--------------
H
---------------
L
M
I
T
-
Q
E
M
D
R
--------------
L
--------------
T
Y
L
R
--
E
L
K
QP--L--EYPSC
G
S
V
FKRP-----------------------P
G
--------------------------
H
---------
F
---
A
G
Q
L
I
S
E
AHLKGQRIG
G
V
E
V
SQKHA
G
F
M
V
N
IAEGS
A
Q
D
Y
E
N
L
I
E
H
V
I
N
T
V
ESTSGVHLEPE
V
R
I
IGESLL---
41
Fugue
99.24
52%
-110
- C3 -
1HSK
1
MURB_STAAU
A:
[15-317]
N
K
D
I
Y
Q
A
L
Q
--
Q
L
I
P
N
E
K
I
K
V
D
E
P
L
K
R
Y
T
Y
T
K
T
G
G
N
A
D
F
Y
I
T
P
T
K
N
E
E
V
Q
A
V
V
K
Y
A
Y
Q
N
E
I
P
V
T
Y
L
G
N
G
S
N
I
I
I
-
R
E
G
G
I
R
G
I
V
I
-
S
L
----
L
S
-
L
-
D
H
I
E
V
----
S
D
--
D
A
I
I
A
G
S
G
A
A
I
I
D
V
S
R
V
A
R
D
Y
A
L
T
G
L
E
F
A
C
G
I
P
G
S
I
G
G
A
V
Y
M
N
A
G
A
Y
G
G
E
V
K
D
C
I
D
Y
A
L
-
C
V
N
-
E
-
Q
-
G
S
L
I
K
L
T
T
K
E
L
E
L
D
Y
R
-----
N
S
I
I
----
Q
-
K
---
E
H
L
-------
V
V
L
E
A
A
F
T
--
L
A
P
----------
G
K
--------------
M
---------------
T
E
I
Q
-
A
K
M
D
D
--------------
L
--------------
T
E
R
R
--
E
S
K
Q
P
--
L
--
E
Y
P
S
C
G
S
V
F
Q
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
N
L
Q
G
H
R
I
G
G
V
E
V
S
T
K
H
A
G
F
M
V
N
V
D
N
G
T
A
T
D
Y
E
N
L
I
H
Y
V
Q
K
T
V
K
E
K
F
G
I
E
L
N
R
E
V
R
I
I
G
E
H
P
K
---
23
HHSearch
99.09
52%
-110
- C3 -
1HSK
1
MURB_STAAU
A:
[18-316]
---
I
Y
Q
A
L
Q
--
Q
L
I
P
N
E
K
I
K
V
D
E
P
L
K
R
Y
T
Y
T
K
T
G
G
N
A
D
F
Y
I
T
P
T
K
N
E
E
V
Q
A
V
V
K
Y
A
Y
Q
N
E
I
P
V
T
Y
L
G
N
G
S
N
I
I
I
-
R
E
G
G
I
R
G
I
V
I
-
S
L
----
L
S
-
L
-
D
H
I
E
V
----
S
D
--
D
A
I
I
A
G
S
G
A
A
I
I
D
V
S
R
V
A
R
D
Y
A
L
T
G
L
E
F
A
C
G
I
P
G
S
I
G
G
A
V
Y
M
N
A
G
A
Y
G
G
E
V
K
D
C
I
D
Y
A
L
-
C
V
N
-
E
-
Q
-
G
S
L
I
K
L
T
T
K
E
L
E
L
D
Y
R
-----
N
S
I
I
----
Q
-
K
---
E
H
L
-------
V
V
L
E
A
A
F
T
--
L
A
P
----------
G
K
--------------
M
---------------
T
E
I
Q
-
A
K
M
D
D
--------------
L
--------------
T
E
R
R
--
E
S
K
Q
P
--
L
--
E
Y
P
S
C
G
S
V
F
Q
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
N
L
Q
G
H
R
I
G
G
V
E
V
S
T
K
H
A
G
F
M
V
N
V
D
N
G
T
A
T
D
Y
E
N
L
I
H
Y
V
Q
K
T
V
K
E
K
F
G
I
E
L
N
R
E
V
R
I
I
G
E
H
P
K
---
1
PsiBlast_PDB
98.06
52%
-110
- C3 -
1HSK
1
MURB_STAAU
A:
[20-314]
-----
Q
A
L
Q
--
Q
L
I
P
N
E
K
I
K
V
D
E
P
L
K
R
Y
T
Y
T
K
T
G
G
N
A
D
F
Y
I
T
P
T
K
N
E
E
V
Q
A
V
V
K
Y
A
Y
Q
N
E
I
P
V
T
Y
L
G
N
G
S
N
I
I
I
-
R
E
G
G
I
R
G
I
V
I
-
S
L
----
L
S
-
L
-
D
H
I
E
V
----
S
D
--
D
A
I
I
A
G
S
G
A
A
I
I
D
V
S
R
V
A
R
D
Y
A
L
T
G
L
E
F
A
C
G
I
P
G
S
I
G
G
A
V
Y
M
N
A
G
A
Y
G
G
E
V
K
D
C
I
D
Y
A
L
-
C
V
N
-
E
-
Q
-
G
S
L
I
K
L
T
T
K
E
L
E
L
D
Y
R
-----
N
S
I
I
----
Q
-
K
---
E
H
L
-------
V
V
L
E
A
A
F
T
--
L
A
P
----------
G
K
--------------
M
---------------
T
E
I
Q
-
A
K
M
D
D
--------------
L
--------------
T
E
R
R
--
E
S
K
Q
P
--
L
--
E
Y
P
S
C
G
S
V
F
Q
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
N
L
Q
G
H
R
I
G
G
V
E
V
S
T
K
H
A
G
F
M
V
N
V
D
N
G
T
A
T
D
Y
E
N
L
I
H
Y
V
Q
K
T
V
K
E
K
F
G
I
E
L
N
R
E
V
R
I
I
G
E
H
P
K
---
25
HHSearch
96.34
51%
-106
- C3 -
3TX1
5
MURB_LISMO
A:
[25-321]
----
M
N
N
L
Q
--
T
K
F
P
H
I
A
I
K
L
N
E
P
L
S
K
Y
T
Y
T
K
T
G
G
A
A
D
V
F
V
M
P
K
T
I
E
E
A
Q
E
V
V
A
Y
C
H
Q
N
K
I
P
L
T
I
L
G
N
G
S
N
L
I
I
-
K
D
G
G
I
R
G
V
I
L
-
H
L
----
D
L
-
L
-
Q
T
I
E
R
----
N
N
--
T
Q
I
V
A
M
S
G
A
K
L
I
D
T
A
K
F
A
L
N
E
S
L
S
G
L
E
F
A
C
G
I
P
G
S
I
G
G
A
L
H
M
N
A
G
A
Y
G
G
E
I
S
D
V
L
E
A
A
T
-
V
L
T
-
Q
-
T
-
G
E
L
K
K
L
K
R
S
E
L
K
--
Y
R
------
S
T
I
----
A
-
E
---
K
N
Y
-------
I
V
L
D
A
T
F
S
--
L
A
L
----------
E
E
--------------
K
---------------
N
L
I
Q
-
A
K
M
D
E
--------------
L
--------------
T
A
A
R
--
E
A
K
Q
P
--
L
--
E
Y
P
S
C
G
S
V
F
K
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
G
L
Q
G
H
I
I
G
G
A
Q
V
S
L
K
H
A
G
F
I
V
N
I
G
G
A
T
A
T
D
Y
M
N
L
I
A
Y
V
Q
Q
T
V
R
E
K
F
D
V
E
L
E
T
E
V
K
I
I
G
E
D
K
----
2
PsiBlast_PDB
96.34
51%
-106
- C3 -
3TX1
5
MURB_LISMO
A:
[25-321]
----
M
N
N
L
Q
--
T
K
F
P
H
I
A
I
K
L
N
E
P
L
S
K
Y
T
Y
T
K
T
G
G
A
A
D
V
F
V
M
P
K
T
I
E
E
A
Q
E
V
V
A
Y
C
H
Q
N
K
I
P
L
T
I
L
G
N
G
S
N
L
I
I
-
K
D
G
G
I
R
G
V
I
L
-
H
L
----
D
L
-
L
-
Q
T
I
E
R
----
N
N
--
T
Q
I
V
A
M
S
G
A
K
L
I
D
T
A
K
F
A
L
N
E
S
L
S
G
L
E
F
A
C
G
I
P
G
S
I
G
G
A
L
H
M
N
A
G
A
Y
G
G
E
I
S
D
V
L
E
A
A
T
-
V
L
T
-
Q
-
T
-
G
E
L
K
K
L
K
R
S
E
L
K
--
Y
R
------
S
T
I
----
A
-
E
---
K
N
Y
-------
I
V
L
D
A
T
F
S
--
L
A
L
----------
E
E
--------------
K
---------------
N
L
I
Q
-
A
K
M
D
E
--------------
L
--------------
T
A
A
R
--
E
A
K
Q
P
--
L
--
E
Y
P
S
C
G
S
V
F
K
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
G
L
Q
G
H
I
I
G
G
A
Q
V
S
L
K
H
A
G
F
I
V
N
I
G
G
A
T
A
T
D
Y
M
N
L
I
A
Y
V
Q
Q
T
V
R
E
K
F
D
V
E
L
E
T
E
V
K
I
I
G
E
D
K
----
3
PsiBlast_PDB
86.58
35%
-100
- C3 -
4PYT
4
MURB_BACLD
A:
[1-301]
---
M
D
K
V
I
Q
E
L
K
D
L
Q
V
G
K
V
L
E
N
E
P
L
A
N
H
T
T
I
K
I
G
G
P
A
D
C
L
V
I
P
K
D
I
Q
A
V
R
D
T
M
E
V
V
K
N
H
G
V
Q
W
R
A
I
G
R
G
S
N
L
L
V
-
L
D
E
G
I
R
G
V
V
I
-
K
L
----
G
A
G
L
-
D
H
M
E
I
----
D
G
--
E
Q
V
T
V
G
G
G
Y
S
V
V
R
L
S
T
G
I
S
K
K
G
L
S
G
L
E
F
A
S
G
I
P
G
S
V
G
G
A
V
Y
M
N
A
G
A
H
G
S
D
I
S
R
I
L
V
K
A
L
-
I
L
F
-
E
-
D
-
G
T
M
E
W
L
T
N
E
E
M
E
F
S
Y
R
-----
T
S
I
L
----
Q
N
K
---
R
P
G
-------
I
C
L
E
A
V
L
Q
--
L
E
Q
----------
K
E
--------------
R
---------------
D
A
I
V
-
A
Q
M
Q
K
--------------
N
--------------
K
D
Y
R
--
K
E
T
Q
P
--
V
--
S
N
P
C
A
G
S
I
F
R
N
P
-----------------------
L
P
--------------------------
D
---------
H
---
A
G
R
L
V
E
Q
A
G
L
K
G
H
R
I
G
G
A
K
V
S
E
M
H
G
N
F
I
V
N
A
G
G
A
T
A
K
D
V
L
D
L
I
A
F
I
Q
K
T
I
K
E
K
Y
D
I
D
M
H
T
E
V
E
I
V
G
E
K
-----
21
HHSearch
78.56
27%
-98
- C3 -
3I99
3
MURB_VIBCH
A:
[9-345]
--------------
T
T
M
Q
I
Q
L
G
A
N
L
K
P
Y
H
T
F
G
I
E
Q
L
A
A
Q
L
V
V
A
E
S
I
D
D
L
K
A
L
Y
C
S
A
E
W
A
S
L
P
K
L
I
I
G
K
G
S
N
M
L
F
-
T
C
-
H
Y
T
G
M
I
V
-
V
N
----
R
--
L
-
N
G
I
E
H
Q
Q
D
D
D
Y
--
H
R
L
H
V
A
G
G
E
D
W
P
S
L
V
S
W
C
V
E
Q
G
I
G
G
L
E
N
L
A
L
I
P
G
C
A
G
S
A
P
I
Q
N
I
G
A
Y
G
V
E
F
K
D
V
C
D
Y
V
E
-
Y
L
C
-
L
E
T
-
G
T
V
K
R
L
T
M
E
E
C
Q
F
G
Y
R
-----
D
S
I
F
----
K
-
H
QLY
Q
K
A
-------
V
V
T
A
V
G
L
K
--
F
A
K
----------
A
W
QPIIQYGPLKDLSS
D
---------------
C
A
I
H
-
D
V
Y
Q
R
--------------
V
--------------
C
A
T
R
--
M
E
K
L
P
--
D
PA
V
M
G
N
A
G
S
F
F
K
N
P
-----------------------
V
I
S
Q
Q
A
F
A
R
L
Q
I
E
H
PD
V
V
A
Y
P
A
EQ
G
V
K
-
V
---------
A
---
A
G
W
L
I
D
Q
A
G
L
K
G
H
Q
I
G
G
A
K
V
H
P
K
Q
A
L
V
I
V
N
T
G
D
A
S
A
Q
D
V
L
M
L
A
A
D
I
Q
Q
R
V
F
N
C
Y
G
I
E
L
E
H
E
V
R
F
I
G
E
S
E
E
---
22
HHSearch
78.21
26%
-99
- C3 -
1UXY
2
MURB_ECOLI
A:
[1-331]
----------------------
H
S
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
N
----
R
--
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
-
S
V
E
-
L
A
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
----
K
-
H
EYQ
D
R
F
-------
A
I
V
A
V
G
L
R
--
L
P
K
----------
E
W
--------------
Q
PVLTYGDLTRLDPTT
V
T
P
Q
-
Q
V
F
N
A
--------------
V
--------------
C
H
M
R
--
T
T
K
L
P
--
D
PK
V
N
G
N
A
G
A
F
F
K
N
P
-----------------------
V
V
S
A
E
T
A
K
A
L
L
S
Q
F
PTA
P
N
Y
P
Q
ADG
S
V
K
L
---------
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
12
PsiBlast_PDB
77.63
24%
-100
- C3 -
4JAY
5
MURB_PSEAE
A:
[12-336]
------------------------
L
K
P
Y
N
T
F
G
I
D
V
R
A
R
L
L
A
H
A
R
D
E
A
D
V
R
E
A
L
A
L
A
R
E
R
G
L
P
L
L
V
I
G
G
G
S
N
L
L
L
T
R
D
--
V
E
A
L
V
L
-
R
M
A
S
Q
G
R
R
-
I
-
V
S
D
A
A
----
D
S
--
V
L
V
E
A
E
A
G
E
A
W
D
P
F
V
Q
W
S
L
E
R
G
L
A
G
L
E
N
L
S
L
I
P
G
T
V
G
A
A
P
M
Q
N
I
G
A
Y
G
V
E
L
K
D
V
F
D
S
L
T
-
A
L
D
-
R
-
Q
D
G
T
L
R
E
F
D
R
Q
A
C
R
F
G
Y
R
-----
D
S
L
F
----
K
-
Q
---
E
P
D
RWLIL
R
V
R
L
R
L
T
R
R
E
--
R
L
H
----------
L
D
--------------
Y
---------------
G
P
V
R
-
Q
R
L
E
E
E
GIASPT
A
R
D
V
S
R
V
I
--------------
C
A
I
R
R
E
K
L
P
D
P
--
A
--
V
L
G
N
A
G
S
F
F
K
N
P
L
V
D
A
T
Q
A
E
R
L
R
Q
A
F
PD
L
V
G
Y
P
Q
A
D
G
--------------------------
R
---------
L
K
L
A
A
G
W
L
I
D
K
G
G
W
K
G
F
R
D
G
P
V
G
V
H
A
Q
Q
A
L
V
L
V
N
H
G
G
A
T
G
A
Q
V
R
A
L
A
E
R
I
Q
E
D
V
R
R
R
F
G
V
E
L
E
P
E
P
N
L
Y
--------
10
PsiBlast_PDB
77.25
24%
-91
- C3 -
1UXY
2
MURB_ECOLI
A:
[3-330]
------------------------
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
-----
N
R
-
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
S
V
E
L
-
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
KHEY
Q
-
D
---
R
F
A
-------
I
V
A
V
G
L
R
L
--
P
K
E
----------
W
Q
--------------
P
---------------
V
L
T
Y
-
G
D
L
T
R
--------------
L
DPTTVT
P
Q
Q
V
F
N
A
V
C
H
M
R
T
T
K
L
P
D
P
--
K
--
V
N
G
N
A
G
A
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
Q
F
PTA------
P
N
--------------------------
Y
P
Q
ADG
S
V
K
L
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
9
PsiBlast_PDB
77.25
24%
-91
- C3 -
2MBR
2
MURB_ECOLI
A:
[3-330]
------------------------
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
-----
N
R
-
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
S
V
E
L
-
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
KHEY
Q
-
D
---
R
F
A
-------
I
V
A
V
G
L
R
L
--
P
K
E
----------
W
Q
--------------
P
---------------
V
L
T
Y
-
G
D
L
T
R
--------------
L
DPTTVT
P
Q
Q
V
F
N
A
V
C
H
M
R
T
T
K
L
P
D
P
--
K
--
V
N
G
N
A
G
S
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
Q
F
PTA------
P
N
--------------------------
Y
P
Q
ADG
S
V
K
L
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
6
PsiBlast_PDB
76.08
24%
-90
- C3 -
2Q85
2
MURB_ECOLI
A:
[2-332]
---------------------
N
H
S
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
-----
N
R
-
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
S
V
E
L
-
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
KHEY
Q
-
D
---
R
F
A
-------
I
V
A
V
G
L
R
L
--
P
K
E
----------
W
Q
--------------
P
---------------
V
L
T
Y
-
G
D
L
T
R
--------------
L
DPTTVT
P
Q
Q
V
F
N
A
V
C
H
M
R
T
T
K
L
P
D
P
--
K
--
V
N
G
N
A
G
S
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
Q
F
PTA------
P
N
--------------------------
Y
P
Q
ADG
S
V
K
L
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
8
PsiBlast_PDB
75.52
24%
-88
- C3 -
1MBT
2
MURB_ECOLI
A:
[3-332]
----------------------
H
S
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
-----
N
R
-
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
S
V
E
L
-
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
KHEY
Q
-
D
---
R
F
A
-------
I
V
A
V
G
L
R
L
--
P
K
E
----------
W
Q
--------------
P
---------------
V
L
T
Y
-
G
D
L
T
R
--------------
L
DPTTVT
P
Q
Q
V
F
N
A
V
C
H
M
R
T
T
K
L
P
D
P
--
K
--
V
N
G
N
A
G
S
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
Q
FPTA------
P
N
--------------------------
Y
P
Q
ADG
S
V
K
L
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
7
PsiBlast_PDB
75.26
24%
-90
- C3 -
1MBB
2
MURB_ECOLI
A:
[3-332]
----------------------
H
S
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
-
Y
R
G
T
V
I
-
I
-----
N
R
-
I
-
K
G
I
E
I
H
D
E
P
D
A
--
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
S
V
E
L
-
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
KHEY
Q
-
D
---
R
F
A
-------
I
V
A
V
G
L
R
L
--
P
K
E
----------
W
Q
--------------
P
---------------
V
L
T
Y
-
G
D
L
T
R
--------------
L
DPTTVT
P
Q
Q
V
F
N
A
V
C
H
M
R
T
T
K
L
P
D
P
--
K
--
V
N
G
N
A
G
S
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
QFPT
A
------
P
N
--------------------------
Y
P
Q
ADG
S
V
K
L
A
---
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
I
N
E
D
N
A
K
S
E
D
V
V
Q
L
A
H
H
V
R
Q
K
V
G
E
K
F
N
V
W
L
E
P
E
V
R
F
I
G
A
S
G
E
---
13
PsiBlast_PDB
74.87
24%
-97
- C3 -
4JB1
8
MURB_PSEAE
A:
[12-336]
------------------------
L
K
P
Y
N
T
F
G
I
D
V
R
A
R
L
L
A
H
A
R
D
E
A
D
V
R
E
A
L
A
L
A
R
E
R
G
L
P
L
L
V
I
G
G
G
S
N
L
L
L
T
R
D
--
V
E
A
L
V
L
-
R
M
A
S
Q
G
R
R
-
I
-
V
S
D
A
A
----
D
S
--
V
L
V
E
A
E
A
G
E
A
W
D
P
F
V
Q
W
S
L
E
R
G
L
A
G
L
E
N
L
S
L
I
P
G
T
V
G
A
A
P
M
Q
N
I
G
A
Y
G
V
E
L
K
D
V
F
D
S
L
T
-
A
L
D
-
R
-
Q
D
G
T
L
R
E
F
D
R
Q
A
C
R
F
G
Y
R
-----
D
S
L
F
----
K
-
Q
---
E
P
D
RWLIL
R
V
R
L
R
L
T
R
R
E
--
R
L
H
----------
L
D
--------------
Y
---------------
G
P
V
R
-
Q
R
L
E
E
E
GIASPT
A
R
D
V
S
R
V
I
--------------
C
A
I
R
R
E
K
L
P
D
P
--
A
--
V
L
G
N
A
G
S
F
F
K
N
P
L
V
D
A
T
Q
A
E
R
L
R
Q
A
F
PD
L
V
G
Y
P
Q
A
D
G
--------------------------
R
---------
L
KLA
A
G
W
L
I
D
K
G
G
W
K
G
F
R
D
G
P
V
G
V
H
A
Q
Q
A
L
V
L
V
N
H
G
G
A
T
G
A
Q
V
R
A
L
A
E
R
I
Q
E
D
V
R
R
R
F
G
V
E
L
E
P
E
P
N
L
Y
--------
4
PsiBlast_PDB
71.24
36%
-90
- C3 -
2GQT
2
MURB_THET8
A:
[11-254]
------------------------
L
K
D
Y
T
T
L
G
V
G
G
P
A
E
L
W
T
V
-
E
T
R
E
E
L
K
R
------
A
T
E
A
P
Y
R
V
L
G
N
G
S
N
L
L
V
-
L
D
E
G
V
P
E
R
V
I
R
L
A
----
G
E
-
F
-
Q
T
Y
D
L
----
K
G
--
W
V
---
G
A
G
T
L
L
P
L
L
V
Q
E
A
A
R
A
G
L
S
G
L
E
G
L
L
G
I
P
A
Q
V
G
G
A
V
K
M
N
A
G
T
R
F
G
E
M
A
D
A
L
E
A
V
E
-
V
F
H
---
D
-
G
A
F
H
V
Y
C
P
E
E
L
G
F
G
Y
R
-----
K
S
H
L
----
P
-
P
---
G
G
--------
I
V
T
R
V
R
L
K
--
L
K
E
----------
R
P
--------------
K
---------------
E
E
I
L
-
R
R
M
A
E
--------------
V
--------------
D
R
A
R
--
K
-
G
Q
P
-----
K
R
K
S
A
G
C
A
F
K
N
P
-----------------------
P
G
--------------------------
Q
---------
S
---
A
G
R
L
I
D
E
R
G
L
K
G
L
R
V
G
D
A
M
I
S
L
E
H
G
N
F
I
V
N
L
G
Q
A
R
A
K
D
V
L
E
L
V
R
R
V
Q
E
E
L
P
L
E
L
E
W
E
V
W
P
-------------
24
HHSearch
69.44
36%
-78
- C3 -
2GQT
2
MURB_THET8
A:
[3-267]
----------------
F
M
R
V
E
R
V
L
L
K
D
Y
T
T
L
G
V
G
G
P
A
E
L
W
-
T
V
E
T
R
E
E
L
K
R
A
------
T
E
A
P
Y
R
V
L
G
N
G
S
N
L
L
V
-
L
D
E
G
V
P
E
R
V
I
-
R
L
----
A
G
-
E
F
Q
T
Y
-------
D
--
L
K
G
W
V
G
A
G
T
L
L
P
L
L
V
Q
E
A
A
R
A
G
L
S
G
L
E
G
L
L
G
I
P
A
Q
V
G
G
A
V
K
M
N
A
G
T
R
F
G
E
M
A
D
A
L
E
A
V
E
-
V
F
H
---
D
-
G
A
F
H
V
Y
C
P
E
E
L
G
F
G
Y
R
-----
K
S
H
L
----
P
-
P
----
G
G
-------
I
V
T
R
V
R
L
K
--
L
K
E
----------
R
P
--------------
K
---------------
E
E
I
L
-
R
R
M
A
E
--------------
V
--------------
D
R
A
R
---
K
G
Q
P
-----
K
R
K
S
A
G
C
A
F
K
N
P
-----------------------
P
G
--------------------------
Q
---------
S
---
A
G
R
L
I
D
E
R
G
L
K
G
L
R
V
G
D
A
M
I
S
L
E
H
G
N
F
I
V
N
L
G
Q
A
R
A
K
D
V
L
E
L
V
R
R
V
Q
E
E
----
L
P
L
E
L
E
W
E
V
W
P
---------
5
PsiBlast_PDB
68.63
36%
-90
- C3 -
2GQU
2
MURB_THET8
A:
[11-254]
------------------------
L
K
D
Y
T
T
L
G
V
G
G
P
A
E
L
W
T
V
-
E
T
R
E
E
L
K
R
------
A
T
E
A
P
Y
R
V
L
G
N
G
S
N
L
L
V
-
L
D
E
G
V
P
E
R
V
I
R
L
A
----
G
E
-
F
-
Q
T
Y
D
L
----
K
G
--
W
V
---
G
A
G
T
L
L
P
L
L
V
Q
E
A
A
R
A
G
L
S
G
L
E
G
L
L
G
I
P
A
Q
V
G
G
A
V
K
M
N
A
G
T
R
F
G
E
M
A
D
A
L
E
A
V
E
-
V
F
H
---
D
-
G
A
F
H
V
Y
C
P
E
E
L
G
F
G
Y
R
-----
K
S
H
L
----
P
-
P
---
G
G
--------
I
V
T
R
V
R
L
K
--
L
K
E
----------
R
P
--------------
K
---------------
E
E
I
L
-
R
R
M
A
E
--------------
V
--------------
D
R
A
R
--
K
-
G
Q
P
-----
K
R
K
S
A
G
C
A
F
K
N
P
-----------------------
P
G
--------------------------
Q
---------
S
---
A
G
R
L
I
D
E
R
G
L
K
G
L
R
V
G
D
A
M
I
S
L
E
H
G
N
F
I
V
N
L
G
Q
A
R
A
K
D
V
L
E
L
V
R
R
V
Q
E
E
L
P
L
E
L
E
W
E
V
W
P
-------------
11
PsiBlast_PDB
57.98
30%
-78
- C3 -
3I99
2
MURB_VIBCH
A:
[117-344]
--------------------------------------------------------------------------------------------------------------------------------------
G
L
E
N
L
A
L
I
P
G
C
A
G
S
A
P
I
Q
N
I
G
A
Y
G
V
E
F
K
D
V
C
D
Y
V
E
-
Y
L
C
-
L
-
E
T
G
T
V
K
R
L
T
M
E
E
C
Q
F
G
Y
R
DSIFK
H
Q
L
Y
----
Q
-
K
---
A
V
V
-------
T
A
V
G
L
K
F
A
KA
W
Q
P
IIQYGPLKDL
S
S
--------------
D
---------------
C
A
I
H
-
D
V
Y
Q
R
--------------
V
--------------
C
A
T
R
M
E
K
L
P
D
P
--
A
--
V
M
G
N
A
G
S
F
F
K
N
P
V
I
S
Q
Q
A
F
A
R
L
Q
I
E
H
PD
V
V
A
Y
---
P
A
--------------------------
E
Q
G
V
K
V
----
A
---
A
G
W
L
I
D
Q
A
G
L
K
G
H
Q
I
G
G
A
K
V
H
P
K
Q
A
L
V
I
V
N
T
G
D
A
S
A
Q
D
V
L
M
L
A
A
D
I
Q
Q
R
V
F
N
C
Y
G
I
E
L
E
H
E
V
R
F
I
G
E
S
E
E
---
42
Fugue
55.14
20%
-106
- C3 -
1UXY
2
?
?:
[1-198]
----------------------
H
S
L
K
P
W
N
T
F
G
I
D
H
N
A
Q
H
I
V
C
A
E
D
E
Q
Q
L
L
N
A
W
Q
Y
A
T
A
E
G
Q
P
V
L
I
L
G
E
G
S
N
V
L
F
-
L
E
D
Y
R
G
T
V
I
I
-
N
R
----
I
K
-
G
-
I
E
I
H
D
----
E
P
D
A
W
Y
L
H
V
G
A
G
E
N
W
H
R
L
V
K
Y
T
L
Q
E
G
M
P
G
L
E
N
L
A
L
I
P
G
C
V
G
S
S
P
I
Q
N
I
G
A
Y
G
V
E
L
Q
R
V
C
A
Y
V
D
-
S
V
E
L
A
-
T
-
G
K
Q
V
R
L
T
A
K
E
C
R
F
G
Y
R
-----
D
S
I
F
----
K
-
H
---
E
Y
Q
DRF----
A
I
V
A
V
G
L
R
--
L
P
K
----------
E
W
--------------
Q
---------------
P
V
L
T
Y
G
D
L
T
R
--------------
L
--------------
D
P
T
T
--
V
T
P
Q
Q
--
V
--
F
N
A
V
C
H
M
R
T
T
K
L
-----------------------
P
D
--------------------------
P
---------
K
---
V
N
G
N
A
G
A
F
F
K
N
P
V
V
S
A
E
T
A
K
A
L
L
S
Q
F
P
T
A
P
N
Y
P
Q
A
D
G
S
V
K
L
A
A
G
W
L
I
D
Q
C
Q
L
K
G
M
Q
I
G
G
A
A
V
H
R
Q
Q
A
L
V
L
---
44
Fugue
52.86
63%
-75
- C3 -
1HSK
1
MURB_STAAU
A:
[209-317]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
--------------
M
---------------
T
E
I
Q
-
A
K
M
D
D
--------------
L
--------------
T
E
R
R
--
E
S
K
Q
P
LE----
Y
P
S
C
G
S
V
F
Q
R
P
-----------------------
P
G
--------------------------
H
---------
F
---
A
G
K
L
I
Q
D
S
N
L
Q
G
H
R
I
G
G
V
E
V
S
T
K
H
A
G
F
M
V
N
V
D
N
G
T
A
T
D
Y
E
N
L
I
H
Y
V
Q
K
T
V
K
E
K
F
G
I
E
L
N
R
E
V
R
I
I
G
---
E
H
P
K