@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 : Rv2564: (2016-05-12 )
MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Atome Classification :
(30 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.......310.......320-.......330
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MGG
L
T
I
S
D
L
V
V
E
YSSG-
G
Y
A
V
R
P----ID
G
L
S
L
DVAP
G
S
L
V
I
L
LGPSGC
G
K
T
T
L
L
S
C
L
G
G
ILRPKSGS
I
K
FDDV
D
I
T
-------TLE
G
A
A
L
A
K
Y
R
--RDKV
G
I
V
F
Q
A
F
N
L
V
S
S
L
T
A
L
E
N
V
-
M
-
V
P
L
------------
R
AAG
V
S
R
A
A
A
R
K-R
A
E
D
L
L
I
R
VNL
G
E
R
M-KHR-PGD-MSGG
Q
Q
Q
R
V
A
V
A
R
A
IALDP
Q
L
I
LADEPTA
H
L
D
F
I
Q
V
E
E
V
L
R
L
I
R
S
------LAQ-G-
D
-
R
-
V
V
V
V
ATH-DSR-ML-
P
-
L
A
D
R
V
L
E
L----M---------PAQVSPNQPP
E
T
V
H
V
KAG
E
V
L
F
EQST------------MG
D
L
I
Y
V
VSEG
E
F
E
I
V
R
E
L
ADG---------
G
E
E
L
V
K
TAAPG
D
Y
F
GE
I
G
V
L
F
HLPRS
A
T
V
R
AR--SDATAV
G
Y
T
A
Q
A
F
R
E
RLG
V
T
R
V
A
D
L
I
-
E
H
R
E
LASE-
21
PsiBlast_CBE
90.32
39%
-132
- C1 -
1L2T
4
Y796_METJA
B:
[2-224]
----
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
IFKY--------
R
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
A
N
H
K
-
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
E
--------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
89.96
39%
-125
- C1 -
1F3O
2
Y796_METJA
A:
[2-224]
----
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
Y--------
R
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
A
N
H
K
-
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
E
--------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
89.85
39%
-128
- C1 -
1L2T
4
Y796_METJA
A:
[2-224]
----
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
IFKY--------
R
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
A
N
H
K
-
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
E
--------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
89.82
38%
-130
- C1 -
3TIF
7
Y796_METJA
B:
[2-224]
----
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
L
IFK---------
Y
R
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
A
N
H
K
-
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
E
--------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
86.95
38%
-124
- C1 -
3TIF
7
Y796_METJA
A:
[2-224]
----
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
L
IFK---------
Y
R
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
A
N
H
K
-
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
E
--------------------------------------------------------------------------------------------------------------------------------------
77
Fugue
82.76
27%
-98
- C1 -
1Z47
1
?
A:
[11-355]
G
S
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
-------
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
EGNVE
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
A
G
A
A
L
P
V
D
P
A
V
S
E
G
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
R
W
S
P
G
A
W
V
H
M
N
V
T
R
W
F
I
F
P
R
-
6
PsiBlast_PDB
81.74
40%
-115
- C1 -
4U00
3
?
A:
[20-231]
----------------------------
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
81.52
40%
-114
- C1 -
4U02
1
?
C:
[20-231]
----------------------------
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
81.17
40%
-112
- C1 -
4U02
1
?
B:
[20-231]
----------------------------
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
80.56
40%
-113
- C1 -
4U02
1
?
D:
[20-231]
----------------------------
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
80.12
40%
-111
- C1 -
4U02
1
?
A:
[20-231]
----------------------------
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
78.59
36%
-117
- C1 -
4YMW
-
?
J:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
78.05
36%
-113
- C1 -
4YMV
1
?
J:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
77.92
36%
-117
- C1 -
4YMT
-
?
J:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
75
Fugue
77.81
24%
-103
- 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
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
QSTLHLDIPEDY
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
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
-
Q
E
H
H
V
K
V
E
V
85
HHSearch
77.50
30%
-118
- C1 -
3TUI
1
METN_ECOLI
C:
[23-254]
--
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
---------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
77.37
36%
-112
- C1 -
4YMV
1
?
A:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.19
36%
-113
- C1 -
4YMU
2
?
J:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
76.96
36%
-118
- C1 -
4YMU
2
?
A:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
76.51
36%
-116
- C1 -
4YMS
-
?
J:
[8-227]
-------------
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
N
I
N
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
K
V
G
L
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
F
Y
R
A
--------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
73.92
39%
-124
- C1 -
1B0U
4
HISP_SALTY
A:
[7-212]
----
L
H
V
I
D
L
H
K
R
Y
--
G
-
G
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
KDG
Q
L
K
V
A
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
60.99
32%
-110
- C1 -
4P32
2
LPTB_ECOLI
A:
[16-230]
----------------------
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
QGH
L
---------
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
---------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
59.94
32%
-110
- C1 -
4P33
6
LPTB_ECOLI
B:
[16-230]
----------------------
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
SQGH
L
---------
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
---------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
59.00
32%
-108
- C1 -
4P33
7
LPTB_ECOLI
A:
[16-230]
----------------------
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
QGH
L
---------
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
---------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
58.73
32%
-110
- C1 -
4P32
2
LPTB_ECOLI
B:
[16-230]
----------------------
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
SQGH
L
---------
I
A
H
G
T
P
T
E
I
L
Q
D
E
H
V
K
---------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
52.40
36%
-109
- C1 -
3FVQ
3
FBPC_NEIG1
B:
[20-209]
----------------------------
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
-
Y
G
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
DMIAAL
R
A
N
-
G
-
K
-
S
-
A
V
F
V
S
H
D
-
R
E
E
-
A
L
-
Q
-
Y
A
D
R
I
------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
50.62
36%
-107
- C1 -
3FVQ
3
FBPC_NEIG1
A:
[20-214]
----------------------------
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
-
Y
G
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
38.53
34%
-86
- C1 -
4AYT
2
ABCBA_HUMAN
A:
[351-539]
-------------------
Y
P
A
R
P
EVPI
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
S
G
T
I
S
L
D
G
H
D
I
R
-------
Q
L
N
P
V
W
L
------
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
-
E
N
I
-
A
-
Y
G
A
DDPSSVT
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
-
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
-
V
L
------
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
------
L
M
D
-
G
-
R
-
T
-
V
L
V
I
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
37.84
34%
-86
- C1 -
4AYX
2
ABCBA_HUMAN
A:
[351-539]
-------------------
Y
P
A
R
P
EVPI
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
S
G
T
I
S
L
D
G
H
D
I
R
-------
Q
L
N
P
V
W
L
------
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
-
E
N
I
-
A
-
Y
G
A
DDPSSVT
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
-
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
-
V
L
------
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
------
L
M
D
-
G
-
R
-
T
-
V
L
V
I
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
32.51
34%
-88
- C1 -
4AYW
1
ABCBA_HUMAN
A:
[382-574]
-------------------
Y
P
A
R
P
EVPI
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
S
G
T
I
S
L
D
G
H
D
I
R
-------
Q
L
N
P
V
W
L
------
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
-
E
N
I
-
A
-
Y
G
A
DDPSSVT
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
-
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
-
V
L
------
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
----
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
------
L
M
D
-
G
-
R
-
T
-
V
L
V
I
A
H
H
-
L
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------