@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 : bsu02570: (2016-06-04 )
MTYIVQTNGLTKTYQGKEVVSNVSMHIKKGEIYGFLGPNGAGKTTIMKMLTSLVKPTSGEIIILGNKFTHTSYEVLGNIGSMIEYPIFYENLTAEENLDLHCEYMGYHNKKAIQEVLDMVNLKQIDKKPVKTFSLGMKQRLGIARAILTKPDLLILDEPVNGLDPLGIKKIRQLFQVLSKEYGMTLLISSHLLGEIEQIADTIGVIRDGRLLEEVSMEDVRGQNTEYIELVTPNQTRACFVLEKELQLTNFKILNEKTIRIYEAEASQAAISKALILNDVDIESMNKKYTSLEDYFIKLINGNSISA
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)
(Ligand)
(Uniprot)
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
Y
I
V
QTNGLTKTY-Q
G
----
K
---
E
--
V
V
S
--
N
V
S
M
H
I
KK
G
E
I
Y
G
F
LGPNGA
G
K
T
T
I
M
K
M
L
T
S
LVKPTSG
E
I
I
I
LGNKFTH
T
----
S
----
Y
---
E
V
L
-----G----N
I
G
S
M
IEY
P
I
F
Y
ENL----TAEEN
L
D
L
H
C
E
YMGY---H
N
---
K
---
K
A
I
Q
E
V
-
L
D
M
V
N
----
L
K
Q
I
D
KKP----------
V
K
T
F
-----------
S
L
G
M
K
Q
R
L
G
I
A
R
A
ILTKP
D
L
L
I
LDEPVNGLDPL
G
I
K
K
I
R
Q
L
F
Q
V
L
S
K
EY
G
M
T
L
L
I
S
S
H
L
L
G
E
I
E
Q
I
A
D
T
I
G
VIRDG
R
L
L
E
E
V
S
M
E
D
V----RGQ-NT
E
Y
I
E
L
VTPNQ
T
R
A
C
F
V
L
EKE------LQLT
N
F
K
-
I
LNE
K
---
T
I
R
---
I
Y
EAEA
S
Q
A
A
I
S
K
A
L
I
L
NDV
D
I
E
S
M
N
K
KYT
S
L
E
D
Y
F
I
K
L
IN---GNSISA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
78.52
33%
-128
- C1 -
1VPL
2
?
A:
[21-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
A
Q
-
N
I
E
E
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
76.43
28%
-147
- C1 -
3TUZ
1
METN_ECOLI
C:
[23-251]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
----
T
RTI
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
L
-----
T
KARR
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
DEV
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
HHSearch
75.28
28%
-138
- C1 -
3TUI
1
METN_ECOLI
C:
[23-254]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
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
----
S
ESEL
T
---
K
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
DEV
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
74.43
28%
-150
- C1 -
3TUJ
-
METN_ECOLI
C:
[0-228]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
----
T
RTI
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
L
-----
T
KARR
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
DEV
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
73.99
29%
-145
- C1 -
3DHW
-
METN_ECOLI
C:
[1-228]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
----
T
RTI
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
L
-----
T
KARR
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
DEV
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
73.99
40%
0
- C- -
4YER
4
?
A:
[5-244]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
I
V
V
E
N
L
V
K
K
F
-
G
D
----
F
---
E
--
A
V
K
--
G
V
S
F
S
V
K
K
G
E
I
F
A
F
L
G
P
N
G
A
G
K
T
T
T
I
H
M
L
T
T
L
L
K
P
T
S
G
K
A
W
V
A
G
H
D
V
L
K
E
----
P
----
R
---
E
V
R
-----
R
----
K
I
G
I
V
F
Q
D
Q
S
L
D
R
E
L
----
T
A
Y
E
N
M
Y
I
H
G
K
I
Y
G
Y
---
G
G
E
K
L
K
---
K
R
I
L
E
L
-
L
E
F
V
E
----
L
L
E
F
K
D
K
P
----------
V
K
T
F
-----------
S
G
G
M
A
R
R
L
E
I
A
R
S
L
I
H
E
P
E
V
L
F
L
D
E
P
T
I
G
L
D
P
H
T
R
A
H
M
W
E
Y
I
S
K
M
K
K
E
H
N
M
T
I
F
L
T
T
H
Y
M
D
E
A
E
Q
L
A
D
R
V
A
I
I
D
H
G
K
I
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
73.39
28%
-142
- C1 -
3TUI
1
METN_ECOLI
C:
[23-251]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
----
T
RTI
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
L
-----
T
KARR
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
DEV
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
HHSearch
72.60
30%
-147
- C1 -
4RVC
-
?
A:
[2-224]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
Fugue
72.55
27%
-114
- 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
RVIDR
A
T
G
D
L
E
F
R
N
V
T
F
T
Y
-
P
G
----
R
---
E
VP
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
Y
----
A
M
D
F
I
N
K
M
----------
D
N
G
L
D
T
I
I
G
ENGVLL
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
HHSearch
72.13
29%
-116
- C1 -
2IT1
-
?
A:
[2-224]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
E
I
K
L
E
N
I
V
K
K
F
-
G
N
----
F
---
T
--
A
L
N
--
N
I
N
L
K
I
K
D
G
E
F
M
A
L
L
G
P
S
G
S
G
K
S
T
L
L
Y
T
I
A
G
I
Y
K
P
T
S
G
K
I
Y
F
D
E
K
D
V
T
E
L
----
P
--------
P
K
D
-----
R
----
N
V
G
L
V
F
Q
N
W
A
L
Y
P
H
M
----
T
V
Y
K
N
I
A
F
P
L
E
L
R
K
A
---
P
R
E
E
I
D
---
K
K
V
R
E
V
-
A
K
M
L
H
----
I
D
K
L
L
N
R
Y
----------
P
W
Q
L
-----------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
V
K
E
P
E
V
L
L
L
D
E
P
L
S
N
L
D
A
L
L
R
L
E
V
R
A
E
L
K
R
L
Q
K
E
L
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
L
A
M
A
D
R
I
A
V
I
R
E
G
E
I
L
Q
V
G
T
P
D
E
V
----
Y
Y
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
Fugue
69.74
25%
-136
- 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
NGYNTLVGDR
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
GER
I
G
K
D
A
L
S
R
L
K
Q
E
L
E
E
N
---
N
A
Q
KTN
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
A
G
N
P
A
D
F
L
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
75
HHSearch
69.46
30%
-123
- C1 -
1OXX
21
?
K:
[2-231]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
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
GKLI
V
----
P
---
P
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
EEI
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
69.17
31%
-127
- C1 -
1OXX
21
?
K:
[1-228]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
R
I
I
V
K
N
-
V
S
K
V
F
-
K
K
----
G
---
K
--
V
V
A
LD
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
VPPED
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
EEI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
68.99
31%
-127
- C1 -
1OXV
15
?
D:
[1-228]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
R
I
I
V
K
N
-
V
S
K
V
F
-
K
K
----
G
---
K
--
V
V
A
LD
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
VPPED
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
EEI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
68.91
31%
-122
- C1 -
1OXV
7
?
A:
[1-228]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
R
I
I
V
K
N
-
V
S
K
V
F
-
K
K
----
G
---
K
--
V
V
A
LD
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
VPPED
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
68.62
30%
-108
- C1 -
4YMW
-
?
J:
[4-237]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
N
D
V
Y
K
N
F
-
G
S
----
L
---
E
--
V
L
K
--
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
G
----
K
----
V
NIN
K
V
R
-----
Q
----
K
V
G
M
V
F
Q
H
F
N
L
F
P
H
L
----
T
A
I
E
N
I
T
L
A
P
V
K
V
K
K
---
M
N
---
K
---
K
E
A
E
E
L
A
V
D
L
L
A
KVGL
L
D
K
K
D
Q
Y
P
----------
I
K
-
L
-----------
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
FY--
R
A
K
-
N
E
R
T
R
E
F
L
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
68.07
31%
-125
- C1 -
1OXS
18
?
C:
[1-228]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
R
I
I
V
K
N
-
V
S
K
V
F
-
K
K
----
G
---
K
--
V
V
A
LD
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
VPPED
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
EEI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
67.99
22%
-128
- C1 -
3TUZ
3
METN_ECOLI
H:
[23-362]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
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
----
S
----
E
---
S
E
L
-----
T
----
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
LSSR
T
V
F
G
N
V
A
L
P
L
E
L
D
N
T
PKD
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
K
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
PML
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
E
M
H
G
T
QQDTQAAIAWLQEHHVKVEV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
67.50
29%
-123
- C1 -
2IT1
-
?
A:
[4-214]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
L
E
N
I
V
K
K
F
-
G
N
----
F
---
T
--
A
L
N
--
N
I
N
L
K
I
K
D
G
E
F
M
A
L
L
G
P
S
G
S
G
K
S
T
L
L
Y
T
I
A
G
I
Y
K
P
T
S
G
K
I
Y
F
D
E
K
D
V
T
E
L
----
P
----
P
---
K
D
R
----------
N
V
G
L
V
F
Q
N
W
A
L
Y
P
H
M
----
T
V
Y
K
N
I
A
F
P
L
E
L
R
K
A
---
P
R
---
E
E
I
D
K
K
V
R
E
V
-
A
K
M
L
H
----
I
D
K
L
L
N
R
Y
----------
P
W
Q
L
-----------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
V
K
E
P
E
V
L
L
L
D
E
P
L
S
N
L
D
A
L
L
R
L
E
V
R
A
E
L
K
R
L
Q
K
E
L
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
L
A
M
A
D
R
I
A
V
I
R
E
G
E
I
L
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
67.36
31%
-125
- C1 -
1OXU
13
?
C:
[1-228]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
R
I
I
V
K
N
-
V
S
K
V
F
-
K
K
----
G
---
K
--
V
V
A
LD
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
VPPED
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
EEI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------