@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 : PF03331_LPXC_AQUAE: (2014-10-06 )
MGLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHEFVVHTNHSTDLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDGSGWEFYEAIRKNILNQNREIDYFVVEEPIIVEDEGRLIKAEPSDTLEVTYEGEFKNFLGRQKFTFVEGNEEEIVLARTFCFDWEIEHIKKVGLGKGGSLKNTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGSPVKGKFYSFRGGHSLNVKLVKELAKKQKLTRDLPHLPSVQAL
Atome Classification :
(29 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MG
L
E
K
T
V
K
E
KLSFE
G
V
G
IHTGE
Y
S
K
L
I
I
HPEKEGT
G
I
R
F
FKN
G
----
V
Y
IPA
R
H
E
F
V
V
HTNHSTDLGFKG
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
IT
N
V
T
I
E
V
IGNEIPILDGS
G
W
E
F
Y
E
A
I
R
K
N
I
LNQNRE
I
D
Y
F
V
-VEE
P
I
I
VEDEG
R
L
I
KAEPSD
T
L
E
V
T
YEG
E
F
K
N
--
F
LGRQ
K
F
T
F
VEGNE----
E
E
I
V
L
A
R
T
F
C
FD
W
E
I
E
H
I
K
K
VGLGKGGSL
K
N
T
L
V
LGKDKVYNPEGLRYENE
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
LLGSPVK
G
K
F
Y
S
FRGG
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
L
T
R
DLPHLPSVQAL
5
PsiBlast_PDB
98.91
99%
-90
- C1 -
3P76
2
LPXC_AQUAE
A:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
22
PsiBlast_CBE
96.32
99%
-89
- C1 -
2J65
3
LPXC_AQUAE
B:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
1
PsiBlast_PDB
96.16
99%
-88
- C1 -
2J65
4
LPXC_AQUAE
A:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
4
PsiBlast_PDB
95.56
99%
-88
* C1 *
2O3Z
2
LPXC_AQUAE
A:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
2
PsiBlast_PDB
95.35
99%
-87
- C1 -
2IER
3
LPXC_AQUAE
A:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
8
PsiBlast_PDB
94.82
99%
-86
- C1 -
1YHC
3
LPXC_AQUAE
A:
[1-266]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
24
PsiBlast_CBE
94.64
99%
-87
- C1 -
2IER
2
LPXC_AQUAE
B:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
9
PsiBlast_PDB
94.47
99%
-87
- C1 -
2GO3
5
LPXC_AQUAE
A:
[2-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
29
PsiBlast_CBE
93.08
99%
-87
- C1 -
2GO3
8
LPXC_AQUAE
B:
[2-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
25
PsiBlast_CBE
92.13
99%
-85
- C1 -
1YHC
1
LPXC_AQUAE
B:
[1-266]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
21
PsiBlast_CBE
92.00
99%
-87
- C1 -
2O3Z
2
LPXC_AQUAE
B:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
27
PsiBlast_CBE
91.35
99%
-84
- C1 -
1P42
1
LPXC_AQUAE
B:
[1-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
28
PsiBlast_CBE
91.11
99%
-87
- C1 -
2GO4
1
LPXC_AQUAE
B:
[2-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
6
PsiBlast_PDB
91.08
99%
-84
- C1 -
1P42
1
LPXC_AQUAE
A:
[1-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
7
PsiBlast_PDB
90.71
99%
-85
- C1 -
1YH8
2
LPXC_AQUAE
A:
[1-266]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
26
PsiBlast_CBE
90.61
99%
-85
- C1 -
1YH8
1
LPXC_AQUAE
B:
[1-266]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
10
PsiBlast_PDB
90.55
99%
-86
- C1 -
2GO4
2
LPXC_AQUAE
A:
[2-267]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
---------------
23
PsiBlast_CBE
90.29
99%
-84
- C1 -
2IES
2
LPXC_AQUAE
B:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
3
PsiBlast_PDB
90.05
99%
-84
- C1 -
2IES
2
LPXC_AQUAE
A:
[2-268]
-
G
L
E
K
T
V
K
E
K
L
S
F
E
G
V
G
I
H
T
G
E
Y
S
K
L
I
I
H
P
E
K
E
G
T
G
I
R
F
F
K
N
G
----
V
Y
I
P
A
R
H
E
F
V
V
H
T
N
H
S
T
D
L
G
F
K
G
Q
R
I
K
T
V
E
H
I
L
S
V
L
H
L
L
E
I
T
N
V
T
I
E
V
I
G
N
E
I
P
I
L
D
G
S
G
W
E
F
Y
E
A
I
R
K
N
I
L
N
Q
N
R
E
I
D
Y
F
V
-
V
E
E
P
I
I
V
E
D
E
G
R
L
I
K
A
E
P
S
D
T
L
E
V
T
Y
E
G
E
F
K
N
--
F
L
G
R
Q
K
F
T
F
V
E
G
N
E
----
E
E
I
V
L
A
R
T
F
A
F
D
W
E
I
E
H
I
K
K
V
G
L
G
K
G
G
S
L
K
N
T
L
V
L
G
K
D
K
V
Y
N
P
E
G
L
R
Y
E
N
E
P
V
R
H
K
V
F
D
L
I
G
D
L
Y
L
L
G
S
P
V
K
G
K
F
Y
S
F
R
G
G
H
S
L
N
V
K
L
V
K
E
L
A
K
K
Q
K
--------------
20
PsiBlast_PDB
21.24
36%
-76
- C1 -
4FW5
2
LPXC_PSEAE
A:
[7-277]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
18
PsiBlast_PDB
19.36
36%
-76
- C1 -
4FW3
2
LPXC_PSEAE
A:
[7-277]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
P
V
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
14
PsiBlast_PDB
18.81
36%
-73
- C1 -
3UHM
3
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
T
S
F
V
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
13
PsiBlast_PDB
18.46
36%
-74
- C1 -
3U1Y
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
17
PsiBlast_PDB
17.89
36%
-71
- C1 -
4LCH
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
19
PsiBlast_PDB
17.86
36%
-75
- C1 -
4FW4
1
LPXC_PSEAE
A:
[7-277]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
12
PsiBlast_PDB
17.45
36%
-69
- C1 -
2VES
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
15
PsiBlast_PDB
17.32
36%
-70
- C1 -
4LCF
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
16
PsiBlast_PDB
13.72
36%
-70
- C1 -
4LCG
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
S
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
F
D
H
PV
F
R
G
R
T
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------
11
PsiBlast_PDB
11.16
36%
-79
- C1 -
4J3D
1
LPXC_PSEAE
A:
[4-274]
---
Q
R
T
L
K
N
I
I
R
A
T
G
V
G
L
H
S
G
E
K
V
Y
L
T
L
K
P
A
P
V
D
T
G
I
V
F
C
R
T
D
LDP
V
V
E
I
P
A
R
A
E
N
V
G
E
T
T
M
S
T
T
L
V
K
G
D
V
K
V
D
T
V
E
H
L
L
S
A
M
A
G
L
G
I
D
N
A
Y
V
E
L
S
A
S
E
V
P
I
M
D
G
S
A
G
P
F
V
F
L
I
Q
S
A
G
L
Q
E
Q
E
A
A
K
K
F
I
R
I
K
R
E
V
S
V
E
E
G
D
K
R
A
V
F
V
P
F
D
G
F
K
V
S
F
E
I
D
----------
Q
Q
A
S
V
D
F
S
S
TSFV
K
E
V
S
R
A
R
T
F
G
F
M
R
D
I
E
Y
L
R
S
Q
N
L
A
L
G
G
S
V
E
N
A
I
V
V
D
E
N
R
V
L
N
E
D
G
L
R
Y
E
D
E
F
V
K
H
K
I
L
D
A
I
G
D
L
Y
L
L
G
N
S
L
I
G
E
F
R
G
F
K
S
G
H
A
L
N
N
Q
L
L
R
T
L
-------------------