@TOME V2.3
(Nov 2016)
Ref.
-
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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 : Rv0986: (2016-04-27 )
MNRQPIVQLSNLSWTFREGETRRQVLDHITFDFEPGEFVALLGQSGSGKSTLLNLISGIEKPTTGDVTINGFAITQKTERDRTLFRRDQIGIVFQFFNLIPTLTVLENITLPQELAGVSQRKAAVVARDLLEKVGMADRERTFPDKLSGGEQQRVAISRALAHNPMLVLADEPTGNLDSDTGDKVLDVLLDLTRQAGKTLIMATHSPSMTQHADRVVNLQGGRLIPAVNRENQTDQPASTILLPTSYE
Atome Classification :
(25 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......---------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNRQ
P
I
V
Q
LSN
L
S
W
T
FREG
E
T
R
R
Q
V
-
L
D
H
I
T
FDFEPG
E
F
V
A
L
LGQSGS
G
K
S
T
L
L
N
L
I
SGIEKPTTG
D
V
T
I
N
G
F
A
I
TQKTERD
R
T
L
---------
F
R
-RDQ
I
G
I
V
F
Q
F
--
F
N
LI
P
T
L
T
V
L
ENIT--
L
-
P
------
Q
E
L
A
G
V
S
Q
R
K
A
A
V
V
A
R
D
L
L
E
KVG----MADRER-TF----PDKLSGG
E
Q
Q
R
V
A
I
S
R
A
LAHN
P
M
L
V
L
ADEPTGNLDSDT
G
D
K
V
L
D
V
L
L
D
L
T
R
QAG
K
T
L
I
M
ATHS-PS
M
T
Q
-
H
-
A
D
R
V
V
NLQG
G
R
L
I
---
P
AVNRENQTDQPA
S
T
I
L
LPTSYE---------------------------------------------------------------------------------------------
22
PsiBlast_CBE
89.74
42%
-100
- C1 -
3TIF
7
Y796_METJA
B:
[1-223]
-----
M
V
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
I
Y
A
-
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
D
E
L
T
K
---------
I
R
-
R
D
K
I
G
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
E
--
L
-
P
LIFKYR
G
A
M
S
G
E
E
R
R
K
R
A
------
L
E
C
L
K
----
M
A
E
L
E
E
-
R
F
ANHK
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
N
V
A
R
-
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
89.23
42%
-98
- C1 -
3TIF
7
Y796_METJA
A:
[1-223]
-----
M
V
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
I
Y
A
-
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
D
E
L
T
K
---------
I
R
-
R
D
K
I
G
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
E
--
L
-
P
LIFKYR
G
A
M
S
G
E
E
R
R
K
R
A
------
L
E
C
L
K
----
M
A
E
L
E
E
-
R
F
ANHK
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
N
V
A
R
-
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
------------------------------------------------------------------------------------------------------------------------
113
Fugue
88.28
33%
-94
- C1 -
3TUZ
3
METN_ECOLI
H:
[23-362]
----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
EQD
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
S
T
L
H
LDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEV
125
HHSearch
87.97
35%
-95
- C1 -
3TUI
1
METN_ECOLI
C:
[23-256]
----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
K
-------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
87.52
42%
-95
- C1 -
1F3O
2
Y796_METJA
A:
[2-223]
------
I
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
I
Y
A
-
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
D
E
L
T
K
---------
I
R
-
R
D
K
I
G
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
E
--
L
-
P
L
I
F
K
YR
G
A
M
S
G
E
E
R
R
K
R
A
------
L
E
C
L
K
----
M
A
E
L
E
E
-
R
F
ANHK
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
E
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
N
V
A
R
-
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.50
42%
-96
- C1 -
1L2T
4
Y796_METJA
A:
[1-223]
-----
M
I
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
I
Y
A
-
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
D
E
L
T
K
---------
I
R
-
R
D
K
I
G
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
E
--
L
-
P
LIFKYR
G
A
M
S
G
E
E
R
R
K
R
A
------
L
E
C
L
K
----
M
A
E
L
E
E
-
R
F
ANHK
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
N
V
A
R
-
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
87.42
42%
-98
- C1 -
1L2T
4
Y796_METJA
B:
[1-223]
-----
M
I
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
I
Y
A
-
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
D
E
L
T
K
---------
I
R
-
R
D
K
I
G
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
E
--
L
-
P
LIFKYR
G
A
M
S
G
E
E
R
R
K
R
A
------
L
E
C
L
K
----
M
A
E
L
E
E
-
R
F
ANHK
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
N
V
A
R
-
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
86.86
37%
-110
- C1 -
3TUZ
1
METN_ECOLI
C:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
86.73
37%
-106
- C1 -
3TUI
1
METN_ECOLI
H:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
86.07
37%
-106
- C1 -
3TUI
1
METN_ECOLI
C:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
85.51
37%
-102
- C1 -
3TUI
1
METN_ECOLI
G:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
85.04
37%
-101
- C1 -
3TUZ
1
METN_ECOLI
G:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
84.82
37%
-107
- C1 -
3TUZ
1
METN_ECOLI
H:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
84.69
37%
-104
- C1 -
3TUZ
1
METN_ECOLI
D:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
83.64
37%
-107
- C1 -
3TUI
1
METN_ECOLI
D:
[24-243]
-----
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
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
L
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
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
-----------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
83.28
42%
-105
- C1 -
4U00
3
?
A:
[3-217]
----
P
I
I
R
I
R
N
L
H
K
W
F
----
G
P
L
H
V
-
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
----
D
R
A
L
---------
R
E
I
R
R
E
V
G
M
V
F
Q
Q
--
F
N
L
F
P
H
M
T
V
L
E
N
V
T
--
L
A
P
------
M
R
V
R
R
W
P
R
E
K
A
E
K
K
A
L
E
L
L
E
R
V
G
----
I
L
D
Q
A
R
-
K
Y
----
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
-----------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.48
42%
-103
- C1 -
4U02
1
?
A:
[2-217]
---
E
P
I
I
R
I
R
N
L
H
K
W
F
----
G
P
L
H
V
-
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
----
D
R
A
L
---------
R
E
I
R
R
E
V
G
M
V
F
Q
Q
--
F
N
L
F
P
H
M
T
V
L
E
N
V
T
--
L
A
P
------
M
R
V
R
R
W
P
R
E
K
A
E
K
K
A
L
E
L
L
E
R
V
G
----
I
L
D
Q
A
R
-
K
Y
----
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
-----------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
82.39
42%
-104
- C1 -
4U02
1
?
B:
[2-217]
---
E
P
I
I
R
I
R
N
L
H
K
W
F
----
G
P
L
H
V
-
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
----
D
R
A
L
---------
R
E
I
R
R
E
V
G
M
V
F
Q
Q
--
F
N
L
F
P
H
M
T
V
L
E
N
V
T
--
L
A
P
------
M
R
V
R
R
W
P
R
E
K
A
E
K
K
A
L
E
L
L
E
R
V
G
----
I
L
D
Q
A
R
-
K
Y
----
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
-----------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
82.08
42%
-107
- C1 -
4U02
1
?
C:
[2-217]
---
E
P
I
I
R
I
R
N
L
H
K
W
F
----
G
P
L
H
V
-
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
----
D
R
A
L
---------
R
E
I
R
R
E
V
G
M
V
F
Q
Q
--
F
N
L
F
P
H
M
T
V
L
E
N
V
T
--
L
A
P
------
M
R
V
R
R
W
P
R
E
K
A
E
K
K
A
L
E
L
L
E
R
V
G
----
I
L
D
Q
A
R
-
K
Y
----
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
-----------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
81.60
42%
-102
- C1 -
4U02
1
?
D:
[2-217]
---
E
P
I
I
R
I
R
N
L
H
K
W
F
----
G
P
L
H
V
-
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
K
D
----
D
R
A
L
---------
R
E
I
R
R
E
V
G
M
V
F
Q
Q
--
F
N
L
F
P
H
M
T
V
L
E
N
V
T
--
L
A
P
------
M
R
V
R
R
W
P
R
E
K
A
E
K
K
A
L
E
L
L
E
R
V
G
----
I
L
D
Q
A
R
-
K
Y
----
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
D
V
M
R
D
L
A
-
Q
G
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
-----------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
76.63
31%
-90
- C1 -
3FVQ
3
FBPC_NEIG1
B:
[5-231]
------
L
H
I
G
H
L
S
K
S
F
Q
N
----
T
P
V
-
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
E
Q
P
D
S
G
E
I
S
L
S
G
K
T
I
F
S
K
N
--
T
N
L
P
---------
V
R
-
E
R
R
L
G
Y
L
V
Q
E
--
G
V
L
F
P
H
L
T
V
Y
R
N
I
A
YG
L
-
G
------
N
G
K
G
R
T
A
Q
E
R
Q
R
I
E
A
--
M
L
E
L
T
G
----
I
S
E
L
A
G
-
R
Y
----
P
H
E
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
E
D
M
I
A
A
L
R
A
N
G
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
-
Y
-
A
D
R
I
A
V
M
K
Q
G
R
I
L
---
Q
T
A
S
P
H
E
L
Y
R
Q
P
A
-------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
73.78
31%
-88
- C1 -
3FVQ
3
FBPC_NEIG1
A:
[5-236]
------
L
H
I
G
H
L
S
K
S
F
Q
N
----
T
P
V
-
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
E
Q
P
D
S
G
E
I
S
L
S
G
K
T
I
F
S
K
N
--
T
N
L
P
---------
V
R
-
E
R
R
L
G
Y
L
V
Q
E
--
G
V
L
F
P
H
L
T
V
Y
R
N
I
A
YG
L
-
G
------
N
G
K
G
R
T
A
Q
E
R
Q
R
I
E
A
--
M
L
E
L
T
G
----
I
S
E
L
A
G
-
R
Y
----
P
H
E
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
E
D
M
I
A
A
L
R
A
N
G
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
-
Y
-
A
D
R
I
A
V
M
K
Q
G
R
I
L
---
Q
T
A
S
P
H
E
L
Y
R
Q
P
A
-------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
73.45
36%
-106
- C1 -
1B0U
4
HISP_SALTY
A:
[19-231]
----------------------
H
E
V
-
L
K
G
V
S
L
Q
A
R
A
G
D
V
I
S
I
I
G
S
S
G
S
G
K
S
T
F
L
R
C
I
N
F
L
E
K
P
S
E
G
A
I
I
V
N
G
Q
N
I
N
L
V
R
D
K
D
G
Q
L
KVAD
K
N
Q
L
R
L
L
-
R
T
R
L
T
M
V
F
Q
H
--
F
N
L
W
S
H
M
T
V
L
E
N
V
M
E-
A
-
P
------
I
Q
V
L
G
L
S
K
H
D
A
R
E
R
A
L
K
Y
L
A
K
V
G
----
I
D
E
R
A
Q
G
K
Y
----
P
V
H
L
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
A
M
E
P
D
V
L
L
F
D
E
P
T
S
A
L
D
P
E
L
V
G
E
V
L
R
I
M
Q
Q
L
A
E
E
-
G
K
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
H
V
S
S
H
V
I
F
L
H
Q
G
K
I
------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
72.56
31%
-92
- C1 -
4MKI
4
ECFA2_CALS4
A:
[3-226]
--
R
P
M
P
I
K
V
E
N
V
S
F
I
Y
N
E
G
T
P
Y
A
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
K
V
S
L
K
D
I
------------
R
K
Q
V
G
L
V
F
Q
Y
PE
Y
Q
L
F
E
E
-
T
V
F
K
D
I
A
--
F
-
G
------
P
S
N
L
G
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
ISKE
L
A
D
K
S
--------
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
-
I
-
A
D
K
I
I
V
M
N
R
G
K
I
------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
71.27
31%
-93
- C1 -
4MKI
4
ECFA2_CALS4
B:
[5-226]
----
M
P
I
K
V
E
N
V
S
F
I
Y
N
E
G
T
P
Y
A
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
K
V
S
L
K
D
I
------------
R
K
Q
V
G
L
V
F
Q
Y
PE
Y
Q
L
F
E
E
-
T
V
F
K
D
I
A
--
F
-
G
------
P
S
N
L
G
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
ISKE
L
A
D
K
S
--------
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
-
I
-
A
D
K
I
I
V
M
N
R
G
K
I
------------------------------------------------------------------------------------------------------------------------