@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 : gbs0235: (2015-11-29 )
MGQEPIIEYQNINKVYGENVAVEDINLKIYPGDFVCFIGTSGSGKTTLMRMVNHMLKPTNGTLLFKGKDISTINPIELRRRIGYVIQNIGLMPHMTIYENIVLVPKLLKWSEEAKRAKARELIKLVELPEEYLDRYPSELSGGQQQRIGVIRALAADQDIILMDEPFGALDPITREGIQDLVKSLQEEMGKTIILVTHDMDEALKLATKIIVMDNGKMVQEGTPNDLLHHPATSFVEQMIGEERLLHAQADITPVKQIMLNNPVSITAEKTLTEAITLMRQKRVDSLLVTDNGKLIGFIDLESLSSKYKKDRLVSDILKHTDFYVMEDDLLRNTAERILKRGLKYAPVVDHENNLKGIVTRASLVDMLYDIIWGDTETEDQ
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.......310.......320.......330.......340.......350.......360.......370.......380
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGQEPI
I
E
Y
Q
N
I
N
K
VY-GEN
V
A
V
E
D
I
N
L
K
I
YPG
D
F
V
C
F
I
GTSGS
G
K
T
T
L
M
R
M
V
N
H
M
LKPTN
G
T
L
L
F
KGKDISTI-------------
N
P
I
-
E
L
R
R
R
I
G
Y
V
I
Q
NIGLMP
H
M
T
I
Y
E
N
I
V
L
V
P
-
K
L
-
L
K
W
S
E
E
A
K
R
A
K
A
R
E
L
I
K
L
V
EL
P
E
E
Y
L
D
RY
P
S
ELSGG
Q
Q
Q
R
I
G
V
I
R
A
LAADQ
D
I
I
L
MDEPFGALD
P
I
T
R
E
G
I
Q
D
L
V
K
S
L
Q
E
EMG
K
T
I
I
L
V
TH
D
M
D
E
A
L
K
L
A
T
K
I
I
V
MDNG
K
M
VQEGTPNDLLHHP
A
T
S
F
V
E
Q
M
IG
E
E
R
L
--
L
HAQAD--
I
T
P
V
K
Q
I
M
LNNP--------V
S
I
T
A
E
K
T
L
T
E
A
I
T
L
M
R
Q
KRV
D
S
L
L
V
TDNG
K
L
I
G
F
I
D
L
E
S
L
S
S
K
Y
K
K
D
R
L
V
S
D
I
L
K
HT
D
F
Y
V
M
E
D
D
L
L
R
N
T
A
E
R
I
L
K
RGLKYAPVVDHEN
N
L
K
G
I
V
T
R
A
S
L
V
D
M
L
Y
D
IIWGDTETEDQ
21
PsiBlast_CBE
89.20
37%
-113
- C2 -
2IT1
1
?
B:
[4-282]
------
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
P
K
Y
K
F
V
G
G
F
L
G
N
P
P
M
--
N
F
V
E
A
K
--
V
E
D
G
K
L
V
I
T
E
K
S
K
L
P
IPKQY
V
E
I
V
K
E
T
G
I
T
E
V
I
I
G
F
R
P
H
D
A
E
I
V
K
G
E
G
E
G
I
V
G
E
V
Y
S
F
E
P
L
G
R
E
Q
I
V
T
V
S
V
N
D
S
I
V
K
V
F
A
P
E
G
E
H
F
S
F
G
E
K
V
T
I
K
V
K
E
E
L
L
V
L
F
D
K
K
T
E
K
A
L
E
F
S
K
L
---------------------
1
PsiBlast_PDB
88.27
37%
-111
- C2 -
2IT1
-
?
A:
[4-282]
------
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
P
K
Y
K
F
V
G
G
F
L
G
N
P
P
M
--
N
F
V
E
A
K
--
V
E
D
G
K
L
V
I
T
E
K
S
K
L
P
IPKQY
V
E
I
V
K
E
T
G
I
T
E
V
I
I
G
F
R
P
H
D
A
E
I
V
K
G
E
G
E
G
I
V
G
E
V
Y
S
F
E
P
L
G
R
E
Q
I
V
T
V
S
V
N
D
S
I
V
K
V
F
A
P
E
G
E
H
F
S
F
G
E
K
V
T
I
K
V
K
E
E
L
L
V
L
F
D
K
K
T
E
K
A
L
E
F
S
K
L
---------------------
14
PsiBlast_PDB
84.62
36%
-122
- C2 -
3RLF
3
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
119
HHSearch
84.51
34%
-113
- C2 -
1B0U
4
HISP_SALTY
A:
[5-254]
----
N
K
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
KDGQLKVAD
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
E
E
E
G
D
P
E
Q
V
F
G
N
P
Q
S
P
R
L
Q
Q
F
L
K
G
S
L
K
--
K
L
E
H
----------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
84.38
36%
-123
- C2 -
3PUZ
2
MALK_ECOLI
B:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
NF
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
------
9
PsiBlast_PDB
84.35
36%
-121
- C2 -
3PUZ
2
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
------
39
PsiBlast_CBE
84.18
36%
-117
- C2 -
2R6G
2
MALK_ECOLI (first)
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
8
PsiBlast_PDB
84.08
36%
-121
- C2 -
3PUY
3
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
17
PsiBlast_PDB
83.97
36%
-118
- C2 -
4KI0
4
?
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
24
PsiBlast_CBE
83.77
36%
-116
- C2 -
3RLF
3
MALK_ECOLI
B:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
NF
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
12
PsiBlast_PDB
83.56
36%
-119
- C2 -
3PUW
5
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
34
PsiBlast_CBE
83.28
36%
-123
- C2 -
2AWN
2
MALK_ECOLI
B:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
S
A
S
--
13
PsiBlast_PDB
83.19
36%
-119
- C2 -
3PUX
5
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
23
PsiBlast_CBE
83.05
36%
-117
- C2 -
4KI0
3
?
B:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
NF
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
123
Fugue
82.82
28%
-90
- C2 -
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
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
NG
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
----------------------------
16
PsiBlast_PDB
82.71
36%
-119
- C2 -
4KHZ
-
?
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
------
41
PsiBlast_CBE
82.67
36%
-110
- C2 -
4U02
1
?
D:
[2-243]
---
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
E
R
T
R
S
F
L
--
Q
R
V
--
L
H
------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
82.41
36%
-120
- C2 -
3PUV
5
MALK_ECOLI
A:
[4-260]
------
V
Q
L
Q
N
V
T
K
A
W
-
G
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
-----
31
PsiBlast_CBE
82.12
36%
-128
- C2 -
2AWO
2
MALK_ECOLI
C:
[4-260]
------
V
Q
L
Q
N
V
T
--------
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
-------------
P
P
A
-
E
--
R
G
V
G
M
V
----
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
-
K
L
-
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
-
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
S
P
K
M
NF
L
P
V
K
V
T
--
A
T
A
I
D
Q
V
Q
V
E
L
P
--------
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
H
L
F
R
E
D
G
T
A
C
R
R
L
H
K
E
P
G
V
A
S
A
S
--
45
PsiBlast_CBE
82.09
36%
-113
- C2 -
4U00
3
?
A:
[3-243]
----
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
E
E
G
R
P
E
E
I
F
T
R
P
K
E
E
R
T
R
S
F
L
--
Q
R
V
--
L
H
------------------------------------------------------------------------------------------------------------------------------------------------