@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 : Lmo2139: (2016-04-01 )
VTLELHNVTKKFGTKVAVNDLSFRVEPGKILGLIGQNGAGKTTTFRLILHFLEATSGKITWDGKEVSKIDPNIIGYLPEERGLYPNVTIEEQLIFFAELKGYPKQKIKAEIDSWLERAEIVGKKTDLIKTLSKGNQQKIQLLSTIIHQPKLVILDEPFSGLDPVNAEILKKFVFDLRASGAAIIFSSHRMENVEELCDSLLMLKKGNVVLQGTTESVKSVFGRKRILIESSHSAAELATLPGVLNVQTHRDGVLQLEIAHESDAEKIFDYVTKDGFIQTFSLQAPTLEEIFKWKAGELNE
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)
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
T
L
E
L
H
N
V
T
K
K
F--G----
T
----
K
V
--
A
-VND
L
S
F
RVEP
G
K
I
L
G
L
IGQNGAGK
T
T
T
F
R
L
I
L
H
F
L
E
ATS
G
K
I
T
WDGKEVSKI--------DPN-------
I
-------
I
G
----Y----LPEER---------GLYPNV
T
I
E
E
Q
L
I
F
F
A
E
L------KG-Y
P
K
Q
K
I
K
A
---
E
I
D
S
W
L
E
R
A
---
E
IV---G---K
K
T
D
L
I
----
K
T
--------
L
SKG
N
Q
Q
K
I
Q
L
L
S
T
I
IHQP
K
L
V
I
LDEPFSGLDPV
N
A
E
I
L
K
K
F
V
F
D
L----R-A-S-
G
A
A
I
I
F
S
S
H
R
M
E
N
V
E
E
L
C
D
S
L
L
M
LKKG
N
V
V
L
QG
T
------
T
E
S
V
K
----
S
V
FGR
K
R
I
L
I
E-------SSHSAA
E
L
ATLP
G
--------
V
L
N
V
Q
TH-----------RD
G
V
L
Q
L
E
I----AHE---------------S
D
A
E
K
I
F
D
Y
VTKDG
F
I
Q
T
F
SLQAP
T
L
E
E
I
F
K
WKAGELNE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.03
39%
-110
- C1 -
1VPL
2
?
A:
[18-242]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
K
D
L
R
K
R
I
--
G
----
K
----
K
E
--
I
-
L
K
G
I
S
F
E
I
E
E
G
E
I
F
G
L
I
G
P
N
G
A
G
K
T
T
T
L
R
I
I
S
T
L
I
K
P
S
S
G
I
V
T
V
F
G
K
N
V
V
E
---------
E
P
H
E
V
R
K
---
L
-------
I
S
----
Y
----
L
P
E
E
A
---------
G
A
Y
R
N
M
Q
G
I
E
Y
L
R
F
V
A
---------
G
-
F
Y
A
S
S
-
S
S
---
E
I
E
E
M
V
E
R
A
T
--
E
I
A
---
G
LGE
K
I
K
D
R
V
----
S
T
--------
Y
S
K
G
M
V
R
K
L
L
I
A
R
A
L
M
V
N
P
R
L
A
I
L
D
E
P
T
S
G
L
D
V
L
N
A
R
E
V
R
K
I
L
K
Q
A
----
S
-
Q
-
E
-
G
L
T
I
L
V
S
S
H
N
M
L
E
V
E
F
L
C
D
R
I
A
L
I
H
N
G
T
I
V
E
T
G
T
------
V
E
E
L
K
----
E
R
Y
K
A
Q
N
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
HHSearch
82.80
37%
-99
- C1 -
1VPL
2
?
A:
[16-238]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
V
V
K
D
L
R
K
R
I
--
G
----
K
----
K
E
--
I
-
L
K
G
I
S
F
E
I
E
E
G
E
I
F
G
L
I
G
P
N
G
A
G
K
T
T
T
L
R
I
I
S
T
L
I
K
P
S
S
G
I
V
T
V
F
G
K
N
V
V
E
E
P
H
E
-----
V
R
K
-------
L
-------
I
S
----
Y
----
L
P
E
E
A
---------
G
A
Y
R
N
M
Q
G
I
E
Y
L
R
F
V
A
G
F
------
Y
A
-
S
S
S
S
E
I
E
E
---
M
V
E
R
A
T
E
I
A
---
G
L
G
---
E
---
K
I
K
D
R
V
----
S
T
--------
Y
S
K
G
M
V
R
K
L
L
I
A
R
A
L
M
V
N
P
R
L
A
I
L
D
E
P
T
S
G
L
D
V
L
N
A
R
E
V
R
K
I
L
K
Q
A
----
S
-
Q
-
E
-
G
L
T
I
L
V
S
S
H
N
M
L
E
V
E
F
L
C
D
R
I
A
L
I
H
N
G
T
I
V
E
T
G
T
------
V
E
E
L
K
----
E
R
Y
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
78.97
27%
-116
- C1 -
4WBS
1
?
A:
[39-275]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
L
V
V
R
N
L
K
K
R
Y
--
G
----
S
----
R
T
--
V
-
V
K
D
V
S
L
D
V
K
S
G
E
V
V
G
L
L
G
P
N
G
A
G
K
T
T
S
F
Y
M
I
V
G
L
V
P
L
D
A
G
E
I
D
L
D
G
K
S
I
S
L
L
--------
P
I
H
-------
K
R
A
S
L
G--
L
S
----
Y
----
L
P
Q
E
A
---------
S
V
F
R
K
L
S
V
E
E
N
I
R
A
V
L
E
L
QVGDDG
K
R
-
L
S
K
D
A
I
A
S
---
R
T
E
A
L
L
D
E
L
---
Q
I
S
---
H
---
L
R
E
N
P
A
----
L
S
--------
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
T
N
P
S
F
I
L
L
D
E
P
F
A
G
V
D
P
I
A
V
L
E
I
Q
K
I
V
K
F
L
----
K
-
Q
-
R
-
N
I
G
V
L
I
T
D
H
N
V
R
E
T
L
G
I
C
D
H
A
Y
I
I
S
D
G
S
V
L
A
A
G
A
P
G
D
I
I
E
N
E
S
V
R
----
R
V
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
Fugue
78.61
25%
-75
- C1 -
1Z47
1
?
A:
[11-355]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GS
M
T
I
E
F
V
G
V
E
K
I
Y
P-
G
----
G
----
A
R
--
S
-
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
--------
P
P
Q
-------
K
RN-----
V
G
----
L
----
V
F
Q
N
Y
---------
A
L
F
Q
H
M
T
V
Y
D
N
V
S
F
G
L
R
E
------
K
R
-
V
P
K
D
E
M
D
A
---
R
V
R
E
L
L
R
F
M
---
R
L
E
---
S
---
Y
A
N
R
F
P
----
H
E
--------
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
----
H
-
D
-
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
------
P
E
E
V
Y
----
E
K
P
G
T
L
F
V
A
S
F
-------
I
G
E
S
N
V
W
T
R
A
V
Q
N
G
R
I
E
V
AG
A
A
L
P
V
D
P
A
VSEG
S
E
V
A
V
V
V
R
P
K
D
V
E
L
Q
P
----
A
S
E
---------------
R
E
A
H
A
Q
V
V
R
S
A
F
K
G
S
Y
S
A
C
W
I
R
T
K
D
G
E
V
W
E
V
H
V
P
S
A
D
R
H
RWSPG
A
W
V
H
M
N
V
T
R
W
F
I
F
P
R------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
76.57
26%
-108
- C1 -
4P33
7
LPTB_ECOLI
A:
[2-233]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
T
A
K
N
L
A
K
A
Y
--
K
----
G
----
R
R
--
V
-
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
N
I
I
I
D
D
D
D
I
S
L
L
--------
P
L
H
-------
A
R
A
R
R
G
--
I
G
----
Y
----
L
P
Q
E
A
---------
S
I
F
R
R
L
S
V
Y
D
N
L
M
A
V
L
Q
I
------
R
D
D
L
S
A
E
Q
R
E
D
---
R
A
N
E
L
M
E
E
F
---
H
I
E
---
H
---
L
R
D
S
M
G
----
Q
S
--------
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
Q
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
----
R
-
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
V
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
----
R
V
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.52
26%
-104
- C1 -
4QC2
2
?
A:
[3-234]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
T
A
K
N
L
A
K
A
Y
--
K
----
G
----
R
R
--
V
-
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
N
I
I
I
D
D
D
D
I
S
L
L
--------
P
L
H
-------
A
R
A
R
R
G
--
I
G
----
Y
----
L
P
Q
E
A
---------
S
I
F
R
R
L
S
V
Y
D
N
L
M
A
V
L
Q
I
------
R
D
D
L
S
A
E
Q
R
E
D
---
R
A
N
E
L
M
E
E
F
---
H
I
E
---
H
---
L
R
D
S
M
G
----
Q
S
--------
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
----
R
-
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
V
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
----
R
V
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
76.21
26%
-106
- C1 -
4P32
2
LPTB_ECOLI
A:
[2-233]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
T
A
K
N
L
A
K
A
Y
--
K
----
G
----
R
R
--
V
-
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
N
I
I
I
D
D
D
D
I
S
L
L
--------
P
L
H
-------
A
R
A
R
R
G
--
I
G
----
Y
----
L
P
Q
E
A
---------
S
I
F
R
R
L
S
V
Y
D
N
L
M
A
V
L
Q
I
------
R
D
D
L
S
A
E
Q
R
E
D
---
R
A
N
E
L
M
E
E
F
---
H
I
E
---
H
---
L
R
D
S
M
G
----
Q
S
--------
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
----
R
-
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
V
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
----
R
V
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
76.10
27%
-102
- C1 -
3TUI
1
METN_ECOLI
C:
[25-253]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
L
S
N
I
T
K
V
F
HQ
G
----
T
----
R
T
IQ
A
-
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
--------
S
E
S
ELTKARR
Q
-------
I
G
----
M
----
I
F
Q
H
F
---------
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
L
E
L
------
D
N
-
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
---
G
L
G
---
D
---
K
H
D
S
Y
P
----
S
N
--------
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N---
R
-
R
-
L
-
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
------
V
S
E
V
F
----
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
75.18
27%
-95
* C1 *
3TUI
1
METN_ECOLI
C:
[24-255]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
I
K
L
S
N
I
T
K
V
F
--
H
----
Q
GTRT
I
Q
--
A
-
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
SESELTK-
A
R
R
-------
Q
-------
I
G
----
M
----
I
F
Q
H
F
---------
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
L
E
L
------
D
N
-
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
---
G
L
G
---
D
---
K
H
D
S
Y
P
----
S
N
--------
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
----
N
-
R
R
L
-
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
------
V
S
E
V
F
----
S
H
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
74.94
29%
-94
- C1 -
1Z47
1
?
A:
[13-238]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
I
E
F
V
G
V
E
K
I
Y
--
P
G---
G
----
A
R
--
S
-
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
PP------
Q
K
R
-------
N
-------
V
G
----
L
----
V
F
Q
N
Y
---------
A
L
F
Q
H
M
T
V
Y
D
N
V
S
F
G
L
R
E
------
K
R
-
V
P
K
D
E
M
D
A
---
R
V
R
E
L
L
R
F
M
---
R
L
E
---
S
---
Y
A
N
R
F
P
----
H
E
--------
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
----
H
-
D
E
M
-
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
------
P
E
E
V
Y
----
E
K
P
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
74.78
27%
-104
- C1 -
3TUZ
1
METN_ECOLI
C:
[25-253]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
L
S
N
I
T
K
V
F
HQ
G
----
T
----
R
T
IQ
A
-
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
--------
S
E
S
ELTKARR
Q
-------
I
G
----
M
----
I
F
Q
H
F
---------
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
L
E
L
------
D
N
-
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
---
G
L
G
---
D
---
K
H
D
S
Y
P
----
S
N
--------
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N---
R
-
R
-
L
-
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
------
V
S
E
V
F
----
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
Fugue
74.13
23%
-90
- C1 -
3B60
2
MSBA_SALTY
A:
[10-581]
-------------------------------------------------------------------------------W
Q
T
F
R
R
L
W
P
T
I
A
PFK
A
G
L
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
LKPLLDDGFGKTDRSVLLW
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
F
G
H
M
M
G
MPVAFFDKQS
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
FYYS
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
KEVLIFGG
Q
E
V
E
T
K
R
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
A
S
L
A
L
A
F
V
L
Y
A
A
S
FPSVMDSLT
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
SEQEK
D
E
G
K
RVIDRAT
G
D
L
E
F
R
N
V
T
F
T
Y
PG
R
----
E
----
V
P
--
A
-
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
--------
T
L
A
-------
S
-------
L
R
N
Q
V
A
L
----
V
S
Q
N
V
---------
H
L
F
-
N
D
T
V
A
N
N
I
A
Y
-----------
A
-
R
T
E
E
Y
S
R
E
---
Q
I
E
E
A
A
R
M
A
YA
M
D
F
I
---
N
---
K
M
D
N
G
L
----
D
T
I
I
G
ENGVL
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
----
Q
-
K
-
N
-
R
T
S
L
V
I
A
-
H
R
L
S
T
I
E
Q
-
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
------
H
S
E
L
L
----
A
Q
H
G
V
------------------------------------------------------------------------------------------------------------
Y
A
Q
L
H
K
M
Q
F
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
73.88
30%
-108
- C1 -
4RVC
-
?
A:
[4-226]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
V
K
D
L
S
G
G
Y
--
T
----
A
----
Q
N
--
V
-
L
E
D
V
T
F
V
V
D
R
G
E
M
V
A
L
I
G
L
N
G
A
G
K
S
T
T
I
K
H
I
I
G
L
M
E
P
R
R
G
A
I
S
I
N
G
Y
R
L
A
D
---------
G
P
E
-------
T
Y
R
R
Q
---
F
A
----
Y
----
I
P
E
T
P
---------
V
L
Y
E
E
L
T
L
E
E
H
L
R
L
A
A
M
A
------
Y
G
-
L
S
E
A
E
Y
E
R
---
R
L
P
P
L
L
R
E
F
---
R
L
E
---
R
---
R
L
S
S
F
P
----
A
H
--------
F
S
K
G
M
K
Q
K
V
M
I
V
C
A
F
L
L
E
P
P
L
Y
I
I
D
E
P
F
L
G
L
D
P
L
A
I
H
A
L
L
E
R
M
N
E
Q
----
K
-
A
-
K
-
G
A
G
I
L
L
S
T
H
I
L
A
T
A
E
R
Y
C
D
S
F
V
I
L
H
N
G
R
V
K
A
K
G
T
------
L
D
D
I
R
----
R
Q
F
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
73.39
29%
-99
- C1 -
1Z47
1
?
A:
[13-233]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
I
E
F
V
G
V
E
K
I
Y
P-
G
----
G
----
A
R
--
S
-
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
--------
P
P
Q
-------
K
RN-----
V
G
----
L
----
V
F
Q
N
Y
---------
A
L
F
Q
H
M
T
V
Y
D
N
V
S
F
G
L
R
E
------
K
R
-
V
P
K
D
E
M
D
A
---
R
V
R
E
L
L
R
F
M
---
R
L
E
---
S
---
Y
A
N
R
F
P
----
H
E
--------
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
----
H
-
D
-
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
------
P
E
E
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
72.21
27%
-106
- C1 -
3DHW
-
METN_ECOLI
C:
[2-230]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
L
S
N
I
T
K
V
F
HQ
G
----
T
----
R
T
IQ
A
-
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
--------
S
E
S
ELTKARR
Q
-------
I
G
----
M
----
I
F
Q
H
F
---------
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
L
E
L
------
D
N
-
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
---
G
L
G
---
D
---
K
H
D
S
Y
P
----
S
N
--------
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
E
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N---
R
-
R
-
L
-
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
------
V
S
E
V
F
----
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
Fugue
72.20
23%
-73
- C1 -
1OXS
23
?
C:
[1-352]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------M
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
----
K
----
V
V
--
A
-
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
A
S
N
--------
G
K
L
-------
I
VPPEDRK
I
G
----
M
----
V
F
Q
T
W
---------
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P
L
T
N
------
M
K
-
M
S
K
E
E
I
R
K
---
R
V
E
E
V
A
K
I
L
---
D
I
H
---
H
---
V
L
N
H
F
P
----
R
E
--------
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
V
K
E
V
----
Q
-
S
-
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
------
P
E
D
L
Y
----
D
N
P
V
S
I
Q
V
A
S
L
IGEINEL
E
G
K
V
T
N
E
G
V
V
I
G
S
--------
L
R
F
P
V
S
V
-----------
S
S
D
R
A
I
I
G
I
----
R
P
E
DVKLSKDVIKDDSWI
L
V
G
K
G
K
V
K
V
I
G
Y
Q
G
G
L
F
R
I
T
I
T
P
L
D
S
E
E
E
I
F
T
Y
S
D
H
P
I
H
SGEEVLVYVRKDKIKVFEK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
Fugue
71.94
23%
-84
- C1 -
3TUZ
3
METN_ECOLI
H:
[23-362]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
I
K
L
S
N
I
T
K
V
F
--
H
QGTR
T
----
I
Q
--
A
-
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
--------
S
E
S
-------
E
LTKARRQ
I
G
----
M
----
I
F
Q
H
F
---------
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
L
E
L
------
D
N
-
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
---
G
L
G
---
D
---
K
H
D
S
Y
P
----
S
N
--------
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
----
N
-
R
-
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
------
V
S
E
V
F
SHPK
T
P
L
A
Q
K
F
I
Q
S
T
-------
L
H
L
D
I
P
E
D
Y
Q
E
R
L
--------
Q
A
E
P
F
T
D
-----------
C
V
P
M
L
R
L
E
F
----
T
G
Q
---------------
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
-
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
EMHGTQQDTQAAIAWLQEHHVKVEV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
70.46
27%
-89
- C1 -
1OXX
21
?
K:
[3-233]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
I
I
V
K
N
V
S
K
V
F
--
K
----
K
GK--
V
V
--
A
-
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
A
S
N
GKLIVPP-
E
D
R
-------
K
-------
I
G
----
M
----
V
F
Q
T
W
---------
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P
L
T
N
------
M
K
-
M
S
K
E
E
I
R
K
---
R
V
E
E
V
A
K
I
L
---
D
I
H
---
H
---
V
L
N
H
F
P
----
R
E
--------
L
S
G
A
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
V
K
E
V
----
Q
S
R
-
L
-
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
------
P
E
D
L
Y
----
D
N
P
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
HHSearch
68.67
26%
-90
- C1 -
2PCJ
-
LOLD_AQUAE
A:
[4-223]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
L
R
A
E
N
I
K
K
V
I
--
R
----
G
----
Y
E
--
I
-
L
K
G
I
S
L
S
V
K
K
G
E
F
V
S
I
I
G
A
S
G
S
G
K
S
T
L
L
Y
I
L
G
L
L
D
A
P
T
E
G
K
V
F
L
E
G
K
E
V
D
Y
T
N
E
K
E
L
S
L
L
R
N
R
-------
K
-------
L
G
----
F
----
V
F
Q
F
H
---------
Y
L
I
P
E
L
T
A
L
E
N
V
I
V
P
M
L
K
------
M
G
-
K
P
K
K
E
A
K
E
---
R
G
E
Y
L
L
S
E
L
---
G
L
G
---
D
---
K
L
S
R
K
P
----
Y
E
--------
L
S
G
G
E
Q
Q
R
V
A
I
A
R
A
L
A
N
E
P
I
L
L
F
A
D
E
P
T
G
N
L
D
S
A
N
T
K
R
V
M
D
I
F
L
K
I
----
N
-
E
-
G
-
G
T
S
I
V
M
V
T
H
E
R
E
L
A
-
E
L
T
H
R
T
L
E
M
K
D
G
K
V
V
G
E
I
T
------
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
Fugue
68.67
23%
-73
- C1 -
4F4C
3
PGP1_CAEEL
A:
[4-1306]
N
G
S
L
R
Q
S
L
R
T
L
D
S
F
SLA
P
E
D
V
L
K
T
A
I
K
T
V
E
D
Y
EGDNIDSNG
E
I
K
I
TRDEVV
N
K
V
S
I
P
Q
L
Y
RYTT
T
L
E
K
L
L
L
F
I
G
T
L
V
A
V
I
T
G
A
G
L
P
L
M
S
I
L
Q
G
K
V
S
Q
A
F
I
N
E
Q
I
V
I
N
N
N
G
S
T
F
LPTGQNYT
K
T
D
F
E
H
D
V
M
N
V
V
W
S
Y
A
A
M
T
V
G
M
W
A
A
G
Q
I
T
V
T
C
Y
L
Y
V
A
E
Q
M
N
N
R
L
R
R
E
F
V
K
S
I
L
R
QE
I
S
W
F
D
T
N
HSGT
L
A
T
K
L
F
D
N
L
E
R
V
K
E
G
T
GD
K
I
G
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
V
V
E
E
T
I
S
S
I
R
T
V
V
S
L
NG
L
R
Y
E
L
E
R
Y
S
T
A
V
E
E
A
K
K
A
G
V
L
K
G
L
F
L
G
I
S
F
G
A
M
Q
A
S
N
F
I
S
F
A
L
A
F
Y
I
G
V
G
W
V
H
D
GSLN
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
T
A
Q
G
A
A
S
G
I
Y
E
V
LDRKPVIDSS
S
K
A
G
R
KDMKIK
G
D
I
T
V
E
N
V
H
F
T
Y
P
S
--
R
----
P
----
D
V
--
P
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
K
G
K
I
T
I
D
G
V
D
V
R
D
I
--------
N
L
E
-------
F
-------
L
R
----
K
N
V
A
V
V
S
Q
E
P
---------
A
L
F
-
N
C
T
I
E
E
N
I
S
L
G
K
E
--------
G
-
I
T
R
E
E
M
V
A
---
A
C
K
M
A
N
A
E
K
---
F
I
K
T
L
P
N
---
G
Y
N
T
L
V
GDR
G
T
Q
--------
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
-
A
L
D
K
----
A
-
A
-
K
-
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
-
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
------
H
R
A
L
M
----
A
Q
Q
G
L
Y
Y
D
L
V
T
-------
A
Q
T
F
T
D
A
V
D
S
A
A
E
--------
G
E
R
I
G
K
D
-----------
A
L
S
R
L
K
Q
E
L
E
ENN
A
Q
K
---------------
T
N
L
F
E
I
L
Y
H
A
R
P
H
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
AGNPADFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIGFFDSPQNA
S
G
K
I
S
T
R
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTGKNVKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
F
Y
E
N
F
C
E
K
L
D
I
P
H
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
A
L
I
I
TDPPTMQ
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
TLGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KISKIDSLSLAGEKKKLYGK
V
I
F
K
N
V
R
F
A
Y
PERPEIEILK
G
L
S
F
S
V
E
PG
Q
T
L
A
L
V
G
P
S
GCGKST
V
V
A
L
L
E
RFYDTL
G
G
E
I
F
I
DGSEIKTLN
P
E
H
T
R
S
Q
I
A
I
V
S
Q
E
P
T
L
F
DCS
I
A
E
N
I
I
YGLDPSSVT
M
A
Q
V
E
E
A
A
R
L
A
NI
H
N
F
I
A
E
LPEGFETRVGDRGTQLS
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
NPK
I
L
L
L
D
EATSALDT
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
EG
R
T
C
I
V
I
A
HRLNTVMNAD
C
I
A
V
V
S
NGTII
E
K
G
T
H
T
Q
L
M
S
E
K
18
PsiBlast_PDB
61.18
31%
-95
- C1 -
2D62
7
?
A:
[7-230]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
K
L
I
N
I
W
K
R
F
--
G
----
D
----
V
T
--
A
-
V
K
D
L
S
L
E
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
E
P
T
R
G
Q
I
Y
I
E
D
N
L
V
A
D
P
--------
E
K
G
-------
V
-------
F
-----
V
----
P
P
K
E
R
DVAMVFQSY
A
L
Y
P
H
M
T
V
Y
D
N
I
A
F
P
L
K
L
------
R
K
-
V
P
K
Q
E
I
D
K
R
V
R
E
V
A
E
M
L
G
L
T
---
E
L
L
---
N
---
R
K
P
-------
R
E
--------
L
S
G
G
Q
R
Q
R
V
A
L
G
R
A
I
I
R
R
P
K
V
F
L
M
D
E
P
L
S
N
L
D
---
A
K
L
R
V
K
M
R
A
E
L
K
K
L
Q
R
-
Q
-
L
-
G
V
T
T
I
Y
V
T
H
D
Q
V
E
A
M
T
M
G
D
R
I
A
V
M
N
K
G
E
L
Q
Q
V
G
T
------
P
D
E
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------