@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 : Lmo1566: (2016-03-26 )
MSQKIQVENGVLKTPNNPVIPFIEGDGTGPDIWAAAKRVLDAAVKKAYNGEKEIAWKEVLAGEKAFKQTGEWLPQATLDTIDEYLIAIKGPLTTPIGGGIRSLNVALRQELDLYVCLRPVRYFKGVPSPVKRPEDTDMVIFRENTEDIYAGIEFKEGSIESKKLIDFLKSEFGVDKIRFPETSGIGIKPISKEGTERLVRSAIEYAIKEGRKSLTLVHKGNIMKFTEGAFKNWGYDLCEREYGDKVFTWNEYDRIKEAEGTEVADAKQNEALAAGKILVKDSIADIFLQQILTRPAEFDVVATMNLNGDYISDALAAQVGGIGIAPGANINYLTGHAIFEATHGTAPKYAGLDKVNPSSVILSGTLLLEHIGWGEAAALINQSMEKTIAAKTVTYDFARLMDGATEVKCSEFADELIKNF
Atome Classification :
(41 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......-.390.-.......400.......410.......420-------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
Q
K
I
Q
VEN
G
V
L
KTP--NN
P
V
I
P
F
IEGDGTG
P
D
I
W
A
A
A
K
R
V
L
D
A
A
V
K
K
AYNGE
K
E
I
A
W
K
E
V
LA
G
E
K
A
F
K
Q
-
T
G--E--WLP
Q
A
T
L
D
T
I
D
-
E
Y
L
I
AIKGPLTTPIGG------
G
I
R
S
L
N
V
A
L
R
QEL
D
L
Y
V
C
L
R
P
V
R
Y
FKGVP--SPVK--RPEDT
D
M
V
I
F
RENT
E
D
I
YA
G
I
E
FKEGSI
E
S
K
K
L
I
D
F
L
K
S
EFGVDKIRFPETSGIGIKPIS
K
E
G
T
E
R
L
V
R
S
A
I
E
Y
A
I
K
E------------GR
K
S
L
T
L
V
HKGNI
M
K
FTE
G
A
F
K
NW
G
Y
D
L
C
E
--
R
E
YGDK
V
F
TWN
E
Y
D
RIKEAEGTEVADAKQNEALAA
G
K
I
L
V
K
D
S
I
A
D
I
F
L
Q
Q
I
LTRPAE
F
D
V
V
A
T
M
NLN
G
D
Y
I
S
D
A
L
A
A
QVGGIGIAPGA
N
I
N
Y
LTG
H
A
I
F
EATHGTAPKYAGLDKVNPS
S
V
I
L
S
G
T
L
L
L
-
E
H-IG
W
G
E
A
A
A
L
I
N
Q
S
M
E
K
T
I
-
A
A
K
-
T
-
V
T
Y
D
F
A
R
L
MDGATEV
K
C
S
E
F
A
D
E
L
I
KNF---------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
99.72
81%
-84
- C6 -
1HQS
5
IDH_BACSU
B:
[5-422]
--
E
K
I
T
V
S
N
G
V
L
N
V
P
--
N
N
P
I
I
P
F
I
E
G
D
G
T
G
P
D
I
W
N
A
A
S
K
V
L
E
A
A
V
E
K
A
Y
K
G
E
K
K
I
T
W
K
E
V
Y
A
G
E
K
A
Y
N
K
-
T
G
--
E
--
W
L
P
A
E
T
L
D
V
I
R
-
E
Y
F
I
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
F
V
C
L
R
P
V
R
Y
F
T
G
V
P
--
S
P
V
K
--
R
P
E
D
T
D
M
V
I
F
R
E
N
T
E
D
I
Y
A
G
I
E
Y
A
K
G
S
E
E
V
Q
K
L
I
S
F
L
Q
N
E
L
N
V
N
K
I
R
F
P
E
T
S
G
I
G
I
K
P
V
S
E
E
G
T
S
R
L
V
R
A
A
I
D
Y
A
I
E
H
------------
G
R
K
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
N
W
G
Y
E
L
A
E
--
K
E
Y
G
D
K
V
F
T
W
A
Q
Y
D
R
I
A
E
E
Q
G
K
D
A
A
N
K
A
Q
S
E
A
E
A
A
G
K
I
I
I
K
D
S
I
A
D
I
F
L
Q
Q
I
L
T
R
P
N
E
F
D
V
V
A
T
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
N
Y
E
T
G
H
A
I
F
E
A
T
H
G
T
A
P
K
Y
A
G
L
D
K
V
N
P
S
S
V
I
L
S
G
V
L
L
L
-
E
H
-
L
G
W
N
E
A
A
D
L
V
I
K
S
M
E
K
T
I
-
A
S
K
-
V
-
V
T
Y
D
F
A
R
L
M
D
G
A
T
E
V
K
C
S
E
F
G
E
E
L
I
K
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
68
HHSearch
99.14
81%
-82
- C6 -
1HQS
7
IDH_BACSU
A:
[4-422]
-
G
E
K
I
T
V
S
N
G
V
L
N
V
P
--
N
N
P
I
I
P
F
I
E
G
D
G
T
G
P
D
I
W
N
A
A
S
K
V
L
E
A
A
V
E
K
A
Y
K
G
E
K
K
I
T
W
K
E
V
Y
A
G
E
K
A
Y
N
K
-
T
G
--
E
--
W
L
P
A
E
T
L
D
V
I
R
-
E
Y
F
I
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
F
V
C
L
R
P
V
R
Y
F
T
G
V
P
--
S
P
V
K
--
R
P
E
D
T
D
M
V
I
F
R
E
N
T
E
D
I
Y
A
G
I
E
Y
A
K
G
S
E
E
V
Q
K
L
I
S
F
L
Q
N
E
L
N
V
N
K
I
R
F
P
E
T
S
G
I
G
I
K
P
V
S
E
E
G
T
S
R
L
V
R
A
A
I
D
Y
A
I
E
H
------------
G
R
K
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
N
W
G
Y
E
L
A
E
--
K
E
Y
G
D
K
V
F
T
W
A
Q
Y
D
R
I
A
E
E
Q
G
K
D
A
A
N
K
A
Q
S
E
A
E
A
A
G
K
I
I
I
K
D
S
I
A
D
I
F
L
Q
Q
I
L
T
R
P
N
E
F
D
V
V
A
T
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
N
Y
E
T
G
H
A
I
F
E
A
T
H
G
T
A
P
K
Y
A
G
L
D
K
V
N
P
S
S
V
I
L
S
G
V
L
L
L
-
E
H
-
L
G
W
N
E
A
A
D
L
V
I
K
S
M
E
K
T
I
-
A
S
K
-
V
-
V
T
Y
D
F
A
R
L
M
D
G
A
T
E
V
K
C
S
E
F
G
E
E
L
I
K
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
98.97
81%
-83
- C6 -
1HQS
7
IDH_BACSU
A:
[5-422]
--
E
K
I
T
V
S
N
G
V
L
N
V
P
--
N
N
P
I
I
P
F
I
E
G
D
G
T
G
P
D
I
W
N
A
A
S
K
V
L
E
A
A
V
E
K
A
Y
K
G
E
K
K
I
T
W
K
E
V
Y
A
G
E
K
A
Y
N
K
-
T
G
--
E
--
W
L
P
A
E
T
L
D
V
I
R
-
E
Y
F
I
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
F
V
C
L
R
P
V
R
Y
F
T
G
V
P
--
S
P
V
K
--
R
P
E
D
T
D
M
V
I
F
R
E
N
T
E
D
I
Y
A
G
I
E
Y
A
K
G
S
E
E
V
Q
K
L
I
S
F
L
Q
N
E
L
N
V
N
K
I
R
F
P
E
T
S
G
I
G
I
K
P
V
S
E
E
G
T
S
R
L
V
R
A
A
I
D
Y
A
I
E
H
------------
G
R
K
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
N
W
G
Y
E
L
A
E
--
K
E
Y
G
D
K
V
F
T
W
A
Q
Y
D
R
I
A
E
E
Q
G
K
D
A
A
N
K
A
Q
S
E
A
E
A
A
G
K
I
I
I
K
D
S
I
A
D
I
F
L
Q
Q
I
L
T
R
P
N
E
F
D
V
V
A
T
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
N
Y
E
T
G
H
A
I
F
E
A
T
H
G
T
A
P
K
Y
A
G
L
D
K
V
N
P
S
S
V
I
L
S
G
V
L
L
L
-
E
H
-
L
G
W
N
E
A
A
D
L
V
I
K
S
M
E
K
T
I
-
A
S
K
-
V
-
V
T
Y
D
F
A
R
L
M
D
G
A
T
E
V
K
C
S
E
F
G
E
E
L
I
K
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
67
HHSearch
92.56
59%
-80
- C6 -
2D4V
4
?
A:
[11-429]
-
G
S
P
L
T
L
L
N
G
V
L
Q
V
P
--
D
Q
P
I
I
P
F
I
E
G
D
G
I
G
C
D
V
T
P
A
M
R
S
V
V
D
A
A
V
A
K
V
Y
G
G
Q
R
Q
I
A
W
M
E
L
F
A
G
Q
K
A
V
Q
L
-
Y
G
EG
Q
--
Y
L
P
D
E
T
M
A
A
I
R
-
E
Y
K
V
A
I
K
G
P
L
E
T
P
V
G
G
------
G
I
R
S
L
N
V
A
M
R
Q
D
L
D
L
Y
V
C
L
R
P
V
R
Y
F
E
G
T
P
--
S
P
M
R
--
H
P
E
K
V
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
P
A
G
S
P
E
A
E
K
I
I
R
F
L
R
E
E
M
G
V
T
K
I
R
F
P
D
S
S
A
I
G
I
K
P
V
S
T
E
G
S
E
R
L
I
R
R
T
I
Q
Y
A
L
E
H
------------
G
K
P
S
V
S
L
V
H
K
G
N
I
M
K
F
T
E
G
G
F
R
D
W
G
Y
A
L
A
E
--
R
E
F
A
G
R
V
F
T
W
R
Q
K
A
A
I
S
K
A
E
G
K
A
A
G
Q
K
A
E
Q
Q
A
I
A
D
G
K
L
I
I
K
D
V
I
A
D
N
F
L
Q
Q
I
L
L
R
P
E
D
Y
S
V
V
A
T
L
N
L
N
G
D
Y
V
S
D
A
L
A
A
E
V
G
G
I
G
M
A
P
G
A
N
L
S
--
D
T
H
A
I
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
G
K
A
N
P
S
S
L
I
L
S
A
V
M
M
L
-
E
H
-
L
G
W
G
E
A
A
Q
A
I
V
A
A
M
N
A
T
I
-
A
A
G
-
E
-
V
T
G
D
L
A
A
L
R
G
D
V
P
A
L
S
T
T
E
F
T
A
A
L
I
R
R
F
---------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
91.86
59%
-82
- C6 -
2D4V
4
?
D:
[18-429]
--------
N
G
V
L
Q
V
P
--
D
Q
P
I
I
P
F
I
E
G
D
G
I
G
C
D
V
T
P
A
M
R
S
V
V
D
A
A
V
A
K
V
Y
G
G
Q
R
Q
I
A
W
M
E
L
F
A
G
Q
K
A
V
Q
L
-
Y
G
--
E
GQ
Y
L
P
D
E
T
M
A
A
I
R
-
E
Y
K
V
A
I
K
G
P
L
E
T
P
V
G
G
------
G
I
R
S
L
N
V
A
M
R
Q
D
L
D
L
Y
V
C
L
R
P
V
R
Y
F
E
G
T
P
--
S
P
M
R
--
H
P
E
K
V
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
P
A
G
S
P
E
A
E
K
I
I
R
F
L
R
E
E
M
G
V
T
K
I
R
F
P
D
S
S
A
I
G
I
K
P
V
S
T
E
G
S
E
R
L
I
R
R
T
I
Q
Y
A
L
E
H
------------
G
K
P
S
V
S
L
V
H
K
G
N
I
M
K
F
T
E
G
G
F
R
D
W
G
Y
A
L
A
E
--
R
E
F
A
G
R
V
F
T
W
R
Q
K
A
A
I
S
K
A
E
G
K
A
A
G
Q
K
A
E
Q
Q
A
I
A
D
G
K
L
I
I
K
D
V
I
A
D
N
F
L
Q
Q
I
L
L
R
P
E
D
Y
S
V
V
A
T
L
N
L
N
G
D
Y
V
S
D
A
L
A
A
E
V
G
G
I
G
M
A
P
G
A
N
L
S
--
D
T
H
A
I
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
G
K
A
N
P
S
S
L
I
L
S
A
V
M
M
L
-
E
H
-
L
G
W
G
E
A
A
Q
A
I
V
A
A
M
N
A
T
I
-
A
A
G
-
E
-
V
T
G
D
L
A
A
L
R
G
D
V
P
A
L
S
T
T
E
F
T
A
A
L
I
R
R
F
---------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
91.61
59%
-83
- C6 -
2D4V
4
?
B:
[18-429]
--------
N
G
V
L
Q
V
P
--
D
Q
P
I
I
P
F
I
E
G
D
G
I
G
C
D
V
T
P
A
M
R
S
V
V
D
A
A
V
A
K
V
Y
G
G
Q
R
Q
I
A
W
M
E
L
F
A
G
Q
K
A
V
Q
L
-
Y
G
--
E
GQ
Y
L
P
D
E
T
M
A
A
I
R
-
E
Y
K
V
A
I
K
G
P
L
E
T
P
V
G
G
------
G
I
R
S
L
N
V
A
M
R
Q
D
L
D
L
Y
V
C
L
R
P
V
R
Y
F
E
G
T
P
--
S
P
M
R
--
H
P
E
K
V
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
P
A
G
S
P
E
A
E
K
I
I
R
F
L
R
E
E
M
G
V
T
K
I
R
F
P
D
S
S
A
I
G
I
K
P
V
S
T
E
G
S
E
R
L
I
R
R
T
I
Q
Y
A
L
E
H
------------
G
K
P
S
V
S
L
V
H
K
G
N
I
M
K
F
T
E
G
G
F
R
D
W
G
Y
A
L
A
E
--
R
E
F
A
G
R
V
F
T
W
R
Q
K
A
A
I
S
K
A
E
G
K
A
A
G
Q
K
A
E
Q
Q
A
I
A
D
G
K
L
I
I
K
D
V
I
A
D
N
F
L
Q
Q
I
L
L
R
P
E
D
Y
S
V
V
A
T
L
N
L
N
G
D
Y
V
S
D
A
L
A
A
E
V
G
G
I
G
M
A
P
G
A
N
L
S
--
D
T
H
A
I
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
G
K
A
N
P
S
S
L
I
L
S
A
V
M
M
L
-
E
H
-
L
G
W
G
E
A
A
Q
A
I
V
A
A
M
N
A
T
I
-
A
A
G
-
E
-
V
T
G
D
L
A
A
L
R
G
D
V
P
A
L
S
T
T
E
F
T
A
A
L
I
R
R
F
---------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
91.33
59%
-81
- C6 -
2D4V
4
?
C:
[18-429]
--------
N
G
V
L
Q
V
P
--
D
Q
P
I
I
P
F
I
E
G
D
G
I
G
C
D
V
T
P
A
M
R
S
V
V
D
A
A
V
A
K
V
Y
G
G
Q
R
Q
I
A
W
M
E
L
F
A
G
Q
K
A
V
Q
L
-
Y
G
--
E
GQ
Y
L
P
D
E
T
M
A
A
I
R
-
E
Y
K
V
A
I
K
G
P
L
E
T
P
V
G
G
------
G
I
R
S
L
N
V
A
M
R
Q
D
L
D
L
Y
V
C
L
R
P
V
R
Y
F
E
G
T
P
--
S
P
M
R
--
H
P
E
K
V
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
P
A
G
S
P
E
A
E
K
I
I
R
F
L
R
E
E
M
G
V
T
K
I
R
F
P
D
S
S
A
I
G
I
K
P
V
S
T
E
G
S
E
R
L
I
R
R
T
I
Q
Y
A
L
E
H
------------
G
K
P
S
V
S
L
V
H
K
G
N
I
M
K
F
T
E
G
G
F
R
D
W
G
Y
A
L
A
E
--
R
E
F
A
G
R
V
F
T
W
R
Q
K
A
A
I
S
K
A
E
G
K
A
A
G
Q
K
A
E
Q
Q
A
I
A
D
G
K
L
I
I
K
D
V
I
A
D
N
F
L
Q
Q
I
L
L
R
P
E
D
Y
S
V
V
A
T
L
N
L
N
G
D
Y
V
S
D
A
L
A
A
E
V
G
G
I
G
M
A
P
G
A
N
L
S
--
D
T
H
A
I
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
G
K
A
N
P
S
S
L
I
L
S
A
V
M
M
L
-
E
H
-
L
G
W
G
E
A
A
Q
A
I
V
A
A
M
N
A
T
I
-
A
A
G
-
E
-
V
T
G
D
L
A
A
L
R
G
D
V
P
A
L
S
T
T
E
F
T
A
A
L
I
R
R
F
---------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
91.32
59%
-81
- C6 -
2D4V
4
?
A:
[18-429]
--------
N
G
V
L
Q
V
P
--
D
Q
P
I
I
P
F
I
E
G
D
G
I
G
C
D
V
T
P
A
M
R
S
V
V
D
A
A
V
A
K
V
Y
G
G
Q
R
Q
I
A
W
M
E
L
F
A
G
Q
K
A
V
Q
L
-
Y
G
--
E
GQ
Y
L
P
D
E
T
M
A
A
I
R
-
E
Y
K
V
A
I
K
G
P
L
E
T
P
V
G
G
------
G
I
R
S
L
N
V
A
M
R
Q
D
L
D
L
Y
V
C
L
R
P
V
R
Y
F
E
G
T
P
--
S
P
M
R
--
H
P
E
K
V
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
P
A
G
S
P
E
A
E
K
I
I
R
F
L
R
E
E
M
G
V
T
K
I
R
F
P
D
S
S
A
I
G
I
K
P
V
S
T
E
G
S
E
R
L
I
R
R
T
I
Q
Y
A
L
E
H
------------
G
K
P
S
V
S
L
V
H
K
G
N
I
M
K
F
T
E
G
G
F
R
D
W
G
Y
A
L
A
E
--
R
E
F
A
G
R
V
F
T
W
R
Q
K
A
A
I
S
K
A
E
G
K
A
A
G
Q
K
A
E
Q
Q
A
I
A
D
G
K
L
I
I
K
D
V
I
A
D
N
F
L
Q
Q
I
L
L
R
P
E
D
Y
S
V
V
A
T
L
N
L
N
G
D
Y
V
S
D
A
L
A
A
E
V
G
G
I
G
M
A
P
G
A
N
L
S
--
D
T
H
A
I
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
G
K
A
N
P
S
S
L
I
L
S
A
V
M
M
L
-
E
H
-
L
G
W
G
E
A
A
Q
A
I
V
A
A
M
N
A
T
I
-
A
A
G
-
E
-
V
T
G
D
L
A
A
L
R
G
D
V
P
A
L
S
T
T
E
F
T
A
A
L
I
R
R
F
---------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
90.60
63%
-79
- C6 -
1PB3
3
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
90.56
63%
-79
- C6 -
1PB1
5
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
90.36
63%
-77
- C6 -
1CW7
3
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
A
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
90.34
63%
-81
- C6 -
1CW1
3
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
M
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
90.12
63%
-80
- C6 -
1CW4
3
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
M
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
90.09
62%
-79
- C6 -
1ISO
4
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
M
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
Y
A
L
F
E
A
T
H
G
T
A
P
D
I
A
G
Q
D
K
A
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
K
D
F
E
S
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
90.08
63%
-80
- C6 -
4AJB
4
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
M
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
89.98
63%
-81
- C6 -
4AJA
4
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
89.94
63%
-78
- C6 -
1P8F
6
IDH_ECOLI
A:
[12-416]
--
K
K
I
T
L
Q
N
G
K
L
N
V
P
--
E
N
P
I
I
P
Y
I
E
G
D
G
I
G
V
D
V
T
P
A
M
L
K
V
V
D
A
A
V
E
K
A
Y
K
G
E
R
K
I
S
W
M
E
I
Y
T
G
E
K
S
T
Q
V
-
Y
G
--
Q
DV
W
L
P
A
E
T
L
D
L
I
R
-
E
Y
R
V
A
I
K
G
P
L
T
T
P
V
G
G
------
G
I
R
S
L
N
V
A
L
R
Q
E
L
D
L
Y
I
C
L
R
P
V
R
Y
Y
Q
G
T
P
--
S
P
V
K
--
H
P
E
L
T
D
M
V
I
F
R
E
N
S
E
D
I
Y
A
G
I
E
W
K
A
D
S
A
D
A
E
K
V
I
K
F
L
R
E
E
M
G
V
K
K
I
R
F
P
E
H
C
G
I
G
I
K
P
C
S
E
E
G
T
K
R
L
V
R
A
A
I
E
Y
A
I
A
N
------------
D
R
D
S
V
T
L
V
H
K
G
N
I
M
K
F
T
E
G
A
F
K
D
W
G
Y
Q
L
A
R
--
E
E
F
G
G
E
L
I
D
G
G
P
W
L
K
V
K
N
P
N
-------------
T
G
K
E
I
V
I
K
D
V
I
A
D
A
F
L
Q
Q
I
L
L
R
P
A
E
Y
D
V
I
A
C
M
N
L
N
G
D
Y
I
S
D
A
L
A
A
Q
V
G
G
I
G
I
A
P
G
A
N
I
G
--
D
E
C
A
L
F
E
A
T
H
G
T
A
P
K
Y
A
G
Q
D
K
V
N
P
G
S
I
I
L
S
A
E
M
M
L
-
R
H
-
M
G
W
T
E
A
A
D
L
I
V
K
G
M
E
G
A
I
-
N
A
K
-
T
-
V
T
Y
D
F
E
R
L
M
D
G
A
K
L
L
K
C
S
E
F
G
D
A
I
I
E
N
M
---------------------------------------------------------------------------------------------------------------------------------------------