@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 : bsu29310: (2016-07-17 )
MTRADFIQFGAMIHGVGGTTDGWRHPDVDPSASTNIEFYMKKAQTAEKGLFSFIFIADGLFISEKSIPHFLNRFEPITILSALASVTKNIGLVGTFSTSFTEPFTISRQLMSLDHISGGRAGWNLVTSPQEGAARNHSKSNLPEHTERYEIAQEHLDVVRGLWNSWEHDAFIHNKKTGQFFDQAKLHRLNHKGKYFQVEGPLNIGRSKQGEPVVFQAGSSETGRQFAAKNADAIFTHSNSLEETKAFYADVKSRAADEGRDPSSVRIFPGISPIVADTEEEAEKKYREFAELIPIENAVTYLARFFDDYDLSVYPLDEPFPDIGDVGKNAFQSTTDRIKREAKARNLTLREVAQEMAFPRTLFIGTPERVASLIETWFNAEAADGFIVGSDIPGTLDAFVEKVIPILQERGLYRQDYRGGTLRENLGLGIPQHQSVLHSSHH
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.....-...390-------.-------..-.....400.......410.......420.......430.......440
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
T
R
A
D
F
I
Q
F
G
A
M
I
HG-VG-GTTDGWRHPDVDPSAST
N
I
E
F
Y
M
K
K
AQ
T
A
E
KG
L
F
S
F
I
F
IAD
G
--
L
F
ISE-----------K
S
---
I
P
----
H
F
L
N
RF
E
P
I
T
I
L
S
A
L
A
S
V
T
KNI
G
L
V
G
-T-F-S-TS-FTEP
F
T
I
S
R
Q
L
M
SLDHISGGRAG
W
N
L
VTSPQEGAARNHSKSNL-
P
E
H
T
E
R
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N-SWEHD
A
F
I
HNKKTG
Q
F
F
D
Q
-
A
K
L
H
RLNHKG
K
Y
F
-
Q
VEGP-L---------NIGRSKQ-GE
P
V
V
F
QAGS-S--ET
G
R
Q
F
AAKNA
D
A
I
F
THSN--S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
RAADEGRDPS
S
V
R
IFPGISPIVAD
T
E
E
E
A
E
K
K
Y
R
E
F
-
A
E
LIPI-
E
-
N
A
V
T
Y
L
A
R
F
--
F
D------DYD
L
S
V
Y
PLDEPFP
D
I
G
D
V
G
K
N
A
F
Q
S
T
T
D
R
I
K
R
E
A
---
K
ARNL
T
L
R
E
V
A
Q
E
------M----AFP
R
T
------
L
F
IG
T
P
E
R
V
A
S
L
I
E
T
W
FNAE-AAD
G
F
-
I
VGSD--------I-------P
G
-
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
ERGLYRQDYRGGT
L
R
E
NLGLGI
P
Q
H
Q
S
V
L
HSSHH
2
PsiBlast_PDB
90.07
99%
-86
- C2 -
1YW1
2
MOXC_BACSU
A:
[3-431]
--
R
A
D
F
I
Q
F
G
A
M
I
H
G
-
V
G
-
G
T
T
D
G
W
R
H
P
D
V
D
P
S
A
S
T
N
I
E
F
Y
M
K
K
A
Q
T
A
E
K
G
L
F
S
F
I
F
I
A
D
G
--
L
F
I
S
E
-----------
K
S
---
I
P
----
H
F
L
N
R
F
E
P
I
T
I
L
S
A
L
A
S
V
T
K
N
I
G
L
V
G
-
T
-
F
-
S
-
T
S
-
F
T
E
P
F
T
I
S
R
Q
L
M
S
L
D
H
I
S
G
G
R
A
G
W
N
L
V
T
S
P
Q
E
G
A
A
R
N
H
S
K
S
N
L
-
P
E
H
T
E
R
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N
-
S
W
E
H
D
A
F
I
H
N
K
K
T
G
Q
F
F
D
Q
-
A
K
L
H
R
L
N
H
K
G
K
Y
F
-
Q
V
E
G
P
-
L
---------
N
I
G
R
S
K
Q
-
G
E
P
V
V
F
Q
A
G
S
-
S
--
E
T
G
R
Q
F
A
A
K
N
A
D
A
I
F
T
H
S
N
--
S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
R
A
A
D
E
G
R
D
P
S
S
V
R
I
F
P
G
I
S
P
I
V
A
D
T
E
E
E
A
E
K
K
Y
R
E
F
-
A
E
L
I
P
I
-
E
-
N
A
V
T
Y
L
A
--------------------------------------------
R
E
A
---
K
A
R
N
L
T
L
R
E
V
A
Q
E
------
M
----
A
F
P
R
T
------
L
F
I
G
T
P
E
R
V
A
S
L
I
E
T
W
F
N
A
E
-
A
A
D
G
F
-
I
V
G
S
D
--------
I
-------
P
G
-
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
E
R
G
L
Y
R
Q
D
Y
R
G
G
T
L
R
E
N
L
G
L
G
I
P
-----------
28
HHSearch
88.96
100%
-81
- C2 -
1TVL
-
MOXC_BACSU
A:
[3-432]
--
R
A
D
F
I
Q
F
G
A
M
I
H
G
-
V
G
-
G
T
T
D
G
W
R
H
P
D
V
D
P
S
A
S
T
N
I
E
F
Y
M
K
K
A
Q
T
A
E
K
G
L
F
S
F
I
F
I
A
D
G
--
L
F
I
S
E
-----------
K
S
---
I
P
----
H
F
L
N
R
F
E
P
I
T
I
L
S
A
L
A
S
V
T
K
N
I
G
L
V
G
-
T
-
F
-
S
-
T
S
-
F
T
E
P
F
T
I
S
R
Q
L
M
S
L
D
H
I
S
G
G
R
A
G
W
N
L
V
T
S
P
Q
E
G
A
A
R
N
H
S
K
S
N
L
-
P
E
H
T
E
R
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N
-
S
W
E
H
D
A
F
I
H
N
K
K
T
G
Q
F
F
D
Q
-
A
K
L
H
R
L
N
H
K
G
K
Y
F
-
Q
V
E
G
P
-
L
---------
N
I
G
R
S
K
Q
-
G
E
P
V
V
F
Q
A
G
S
-
S
--
E
T
G
R
Q
F
A
A
K
N
A
D
A
I
F
T
H
S
N
--
S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
R
A
A
D
E
G
R
D
P
S
S
V
R
I
F
P
G
I
S
P
I
V
A
D
T
E
E
E
A
E
K
K
Y
R
E
F
-
A
E
L
I
P
I
-
E
-
N
A
V
T
------------------------------------------------
E
A
---
K
A
R
N
L
T
L
R
E
V
A
Q
E
------
M
----
A
F
P
R
T
------
L
F
I
G
T
P
E
R
V
A
S
L
I
E
T
W
F
N
A
E
-
A
A
D
G
F
-
I
V
G
S
D
--------
I
-------
P
G
-
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
E
R
G
L
Y
R
Q
D
Y
R
G
G
T
L
R
E
N
L
G
L
G
I
P
Q
----------
1
PsiBlast_PDB
88.75
99%
-81
- C2 -
1TVL
-
MOXC_BACSU
A:
[3-432]
--
R
A
D
F
I
Q
F
G
A
M
I
H
G
-
V
G
-
G
T
T
D
G
W
R
H
P
D
V
D
P
S
A
S
T
N
I
E
F
Y
M
K
K
A
Q
T
A
E
K
G
L
F
S
F
I
F
I
A
D
G
--
L
F
I
S
E
-----------
K
S
---
I
P
----
H
F
L
N
R
F
E
P
I
T
I
L
S
A
L
A
S
V
T
K
N
I
G
L
V
G
-
T
-
F
-
S
-
T
S
-
F
T
E
P
F
T
I
S
R
Q
L
M
S
L
D
H
I
S
G
G
R
A
G
W
N
L
V
T
S
P
Q
E
G
A
A
R
N
H
S
K
S
N
L
-
P
E
H
T
E
R
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N
-
S
W
E
H
D
A
F
I
H
N
K
K
T
G
Q
F
F
D
Q
-
A
K
L
H
R
L
N
H
K
G
K
Y
F
-
Q
V
E
G
P
-
L
---------
N
I
G
R
S
K
Q
-
G
E
P
V
V
F
Q
A
G
S
-
S
--
E
T
G
R
Q
F
A
A
K
N
A
D
A
I
F
T
H
S
N
--
S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
R
A
A
D
E
G
R
D
P
S
S
V
R
I
F
P
G
I
S
P
I
V
A
D
T
E
E
E
A
E
K
K
Y
R
E
F
-
A
E
L
I
P
I
-
E
-
N
A
V
T
------------------------------------------------
E
A
---
K
A
R
N
L
T
L
R
E
V
A
Q
E
------
M
----
A
F
P
R
T
------
L
F
I
G
T
P
E
R
V
A
S
L
I
E
T
W
F
N
A
E
-
A
A
D
G
F
-
I
V
G
S
D
--------
I
-------
P
G
-
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
E
R
G
L
Y
R
Q
D
Y
R
G
G
T
L
R
E
N
L
G
L
G
I
P
Q
----------
18
Fugue
88.73
99%
-81
- C2 -
1TVL
-
MOXC_BACSU
A:
[3-432]
--
R
A
D
F
I
Q
F
G
A
M
I
H
G
-
V
G
-
G
T
T
D
G
W
R
H
P
D
V
D
P
S
A
S
T
N
I
E
F
Y
M
K
K
A
Q
T
A
E
K
G
L
F
S
F
I
F
I
A
D
G
--
L
F
I
S
E
-----------
K
S
---
I
P
----
H
F
L
N
R
F
E
P
I
T
I
L
S
A
L
A
S
V
T
K
N
I
G
L
V
G
-
T
-
F
-
S
-
T
S
-
F
T
E
P
F
T
I
S
R
Q
L
M
S
L
D
H
I
S
G
G
R
A
G
W
N
L
V
T
S
P
Q
E
G
A
A
R
N
H
S
K
S
N
L
-
P
E
H
T
E
R
Y
E
I
A
Q
E
H
L
D
V
V
R
G
L
W
N
-
S
W
E
H
D
A
F
I
H
N
K
K
T
G
Q
F
F
D
Q
-
A
K
L
H
R
L
N
H
K
G
K
Y
F
-
Q
V
E
G
P
-
L
---------
N
I
G
R
S
K
Q
-
G
E
P
V
V
F
Q
A
G
S
-
S
--
E
T
G
R
Q
F
A
A
K
N
A
D
A
I
F
T
H
S
N
--
S
L
E
E
T
K
-
A
F
Y
A
D
V
K
S
R
A
A
D
E
G
R
D
P
S
S
V
R
I
F
P
G
I
S
P
I
V
A
D
T
E
E
E
A
E
K
K
Y
R
E
F
-
A
E
L
I
P
I
-
E
-
N
A
------------------------------------------------
V
T
E
A
---
K
A
R
N
L
T
L
R
E
V
A
Q
E
------
M
----
A
F
P
R
T
------
L
F
I
G
T
P
E
R
V
A
S
L
I
E
T
W
F
N
A
E
-
A
A
D
G
F
-
I
V
G
S
D
--------
I
-------
P
G
-
T
L
D
A
F
V
E
K
V
I
P
I
L
Q
E
R
G
L
Y
R
Q
D
Y
R
G
G
T
L
R
E
N
L
G
L
G
I
P
Q
----------
3
PsiBlast_PDB
79.49
52%
-67
- C2 -
3SDO
2
?
A:
[5-437]
M
T
R
K
-
H
I
H
F
G
V
L
I
Q
G
-
A
G
-
A
N
M
N
A
W
K
H
P
S
V
P
P
D
A
S
V
N
F
D
F
Y
V
D
R
A
R
R
A
E
N
A
G
I
A
F
A
F
I
A
D
S
--
A
Y
V
T
P
-----------
K
S
---
A
P
----
H
F
L
N
R
F
E
P
I
S
L
L
S
A
L
A
V
L
T
S
K
I
G
L
V
G
-
T
-
M
-
S
-
S
S
-
Y
S
E
P
Y
N
V
A
R
Q
F
A
S
L
D
L
I
S
G
G
R
A
G
W
N
V
V
T
S
S
I
E
G
T
G
K
N
Y
G
R
P
H
--
P
D
H
A
Q
R
Y
A
I
A
A
E
H
L
D
V
V
Q
G
L
W
D
-
S
W
D
D
D
A
L
V
R
D
R
A
T
G
R
F
F
D
P
-
D
K
L
H
R
L
D
H
R
G
R
F
F
-
S
V
E
G
P
-
L
---------
N
I
R
R
S
P
Q
-
G
Q
P
V
I
F
Q
A
G
S
-
S
--
D
D
G
I
D
L
A
G
R
S
A
D
A
V
F
S
N
G
S
--
T
F
D
E
A
R
-
V
F
Y
R
R
V
K
A
A
A
A
A
A
G
R
N
P
D
H
V
K
V
F
P
G
I
G
P
I
V
G
A
T
Q
Q
E
A
D
D
K
Y
R
Q
V
-
R
D
L
L
S
P
-
R
-
E
A
L
A
Y
L
S
H
F
--
F
Q
------
Q
H
D
F
S
V
Y
P
L
D
G
P
F
P
D
I
G
T
L
G
S
D
G
F
Q
S
T
T
D
N
I
K
R
L
A
---
R
E
R
K
L
T
L
R
E
V
A
Y
E
------
V
----
S
T
R
R
S
N
IGTSE
A
F
I
G
T
P
E
A
V
A
S
E
M
I
R
W
V
D
E
G
-
A
A
D
G
F
-
M
L
G
L
P
--------
V
-------
T
G
F
G
L
D
D
F
V
D
H
V
L
P
V
L
S
A
R
G
Y
F
D
P
V
R
R
G
A
T
L
R
D
H
L
G
L
--------------
29
HHSearch
78.70
52%
-64
- C2 -
3SDO
2
?
A:
[5-440]
-
M
T
R
K
H
I
H
F
G
V
L
I
Q
G
-
A
G
-
A
N
M
N
A
W
K
H
P
S
V
P
P
D
A
S
V
N
F
D
F
Y
V
D
R
A
R
R
A
E
N
A
G
I
A
F
A
F
I
A
D
S
--
A
Y
V
T
P
-----------
K
S
---
A
P
----
H
F
L
N
R
F
E
P
I
S
L
L
S
A
L
A
V
L
T
S
K
I
G
L
V
G
-
T
-
M
-
S
-
S
S
-
Y
S
E
P
Y
N
V
A
R
Q
F
A
S
L
D
L
I
S
G
G
R
A
G
W
N
V
V
T
S
S
I
E
G
T
G
K
N
Y
G
R
P
-
H
-
P
D
H
A
Q
R
Y
A
I
A
A
E
H
L
D
V
V
Q
G
L
W
D
-
S
W
D
D
D
A
L
V
R
D
R
A
T
G
R
F
F
D
P
-
D
K
L
H
R
L
D
H
R
G
R
F
F
-
S
V
E
G
P
-
L
---------
N
I
R
R
S
P
Q
-
G
Q
P
V
I
F
Q
A
G
S
-
S
--
D
D
G
I
D
L
A
G
R
S
A
D
A
V
F
S
N
G
S
--
T
F
D
E
A
R
-
V
F
Y
R
R
V
K
A
A
A
A
A
A
G
R
N
P
D
H
V
K
V
F
P
G
I
G
P
I
V
G
A
T
Q
Q
E
A
D
D
K
Y
R
Q
V
-
R
D
L
L
S
P
-
R
-
E
A
L
A
Y
L
S
H
F
--
F
Q
------
Q
H
D
F
S
V
Y
P
L
D
G
P
F
P
D
I
G
T
L
G
S
D
G
F
Q
S
T
T
D
N
I
K
R
L
A
---
R
E
R
K
L
T
L
R
E
V
A
Y
E
V
S
T
R
R
S
N
----
I
G
T
S
E
------
A
F
I
G
T
P
E
A
V
A
S
E
M
I
R
W
V
D
E
G
-
A
A
D
G
F
-
M
L
G
L
P
V-------
T
-------
G
F
-
G
L
D
D
F
V
D
H
V
L
P
V
L
S
A
R
G
Y
F
D
P
V
R
R
G
A
T
L
R
D
H
L
G
L
P
Y
K
-----------
31
HHSearch
61.10
30%
-15
- C2 -
5DQP
2
?
A:
[4-426]
----
R
R
M
Y
L
V
S
W
L
N
S
-
S
G
-
V
L
P
N
S
W
N
E
G
R
G
N
R
A
R
I
F
D
L
E
N
Y
I
R
S
A
E
I
A
R
R
G
R
I
D
A
F
F
L
A
D
Q
--
P
Q
L
T
P
-----------
N
P
---
K
V
----
R
P
E
Y
P
F
D
P
I
V
L
A
A
A
I
T
G
R
V
P
D
I
G
-
G
I
V
T
-
A
-
S
-
T
S
-
F
S
L
P
Y
T
L
A
R
Q
I
A
S
V
N
L
L
S
G
G
R
I
G
W
N
A
V
T
T
A
N
P
A
V
A
A
N
Y
G
A
A
-
I
-
A
T
H
D
N
R
Y
E
R
A
E
E
F
L
E
V
V
H
G
L
W
N
-
S
W
K
---
F
P
W
D
E
A
I
G
P
N
P
N
P
F
G
E
V
M
P
I
N
H
E
G
K
Y
F
-
K
V
A
G
P
-
L
---------
N
V
P
L
P
P
Y
--
G
P
P
V
V
V
Q
A
G
G
S
--
D
Q
G
K
R
L
A
S
R
F
G
E
I
I
Y
A
F
L
G
--
S
K
P
A
G
R
-
R
F
V
A
E
A
R
A
A
A
R
A
Q
G
R
P
E
G
S
T
L
V
L
P
S
F
V
P
L
I
G
S
T
E
A
E
V
K
R
L
V
A
E
Y
-
E
A
G
L
D
P
A
E
-
Q
R
I
E
A
L
S
K
Q
--
L
G
-------
I
D
L
E
R
I
N
V
D
Q
V
L
Q
E
K
D
F
N
L
P
K
E
S
A
T
P
I
G
I
L
K
S
M
V
D
V
A
L
D
E
K
L
S
L
R
Q
L
A
--------------
L
R
M
R
------
L
I
A
G
T
P
D
Q
V
A
D
R
L
I
D
W
W
Q
D
E
-
A
A
D
G
F
-
V
I
N
A
P
L-------
L
-------
P
D
-
A
L
E
I
F
V
D
Q
V
V
P
I
L
Q
S
R
G
V
F
P
R
S
Y
T
E
S
T
L
R
E
R
L
G
L
P
R
------------
19
Fugue
54.66
23%
-60
- C2 -
1M41
-
SSUD_ECOLI
A:
[1-361]
--
S
L
N
M
F
W
F
L
P
T
--------
H
G
D
G
H
Y
L
G
T
E
E
G
S
R
P
V
D
H
G
Y
L
Q
Q
I
A
Q
A
A
D
R
L
G
Y
T
G
V
L
I
P
T
G
--
R
-----------------------------
S
C
E
D
A
W
L
V
A
A
S
M
I
P
V
T
Q
R
L
K
F
L
V
-
A
-
L
-
R
-
P
S
-
V
T
S
P
T
V
A
A
R
Q
A
A
T
L
D
R
L
S
N
G
R
A
L
F
N
L
V
T
G
S
D
P
Q
E
L
A
G
D
G
V
F
---
L
D
H
S
E
R
Y
E
A
S
A
E
F
T
Q
V
W
R
R
L
L
Q
-
R
----------------------
E
T
V
D
F
N
G
K
H
I
-
H
V
R
G
A
K
L
---------
L
F
P
A
I
Q
Q
-
P
Y
P
P
L
Y
F
G
G
S
-
S
--
D
V
A
Q
E
L
A
A
E
Q
V
D
L
Y
L
T
W
G
E
--
P
P
E
L
V
K
-
E
K
I
E
Q
V
R
A
K
A
A
A
H
G
R
K
---
I
R
F
G
I
R
L
H
V
I
V
R
E
T
N
D
E
A
W
Q
A
A
E
R
L
-
I
S
H
L
L
E
-
I
-
S
P
N
L
W
-----------------------------------------------------------
A
G
V
G
L
V
------
R
----
G
G
A
G
T
------
A
L
V
G
D
G
P
T
V
A
A
R
I
N
E
Y
A
A
L
G
-
I
D
S
F
V
-
L
S
G
Y
P
--------
H
-------
L
E
-
E
A
Y
R
V
G
E
L
L
F
P
L
L
D
V
A
I
P
----------------
E
I
P
Q
P
Q
P
L
------
6
PsiBlast_PDB
54.37
34%
12
- C2 -
5DQP
2
?
A:
[34-424]
------------------------------------
D
L
E
N
Y
I
R
S
A
E
I
A
R
R
G
R
I
D
A
F
F
L
A
D
Q
PQ
L
T
P
N
P
-----------
K
V
---
R
P
----
E
Y
--
P
F
D
P
I
V
L
A
A
A
I
T
G
R
V
P
D
I
G
G
I
V
-
T
-
A
-
S
-
T
S
-
F
S
L
P
Y
T
L
A
R
Q
I
A
S
V
N
L
L
S
G
G
R
I
G
W
N
A
V
T
T
A
N
P
A
V
A
A
N
Y
G
A
A
-
I
-
A
T
H
D
N
R
Y
E
R
A
E
E
F
L
E
V
V
H
G
L
W
N
-
S
W
K
---
F
P
W
D
E
A
I
G
P
N
P
N
P
F
G
E
V
M
P
I
N
H
E
G
K
Y
F
-
K
V
A
G
P
-
L
---------
N
V
P
L
P
P
Y
-
G
P
P
V
V
V
Q
A
G
G
-
S
--
D
Q
G
K
R
L
A
S
R
F
G
E
I
I
Y
A
F
L
G
--
S
K
P
A
G
R
-
R
F
V
A
E
A
R
A
A
A
R
A
Q
G
R
P
E
G
S
T
L
V
L
P
S
F
V
P
L
I
G
S
T
E
A
E
V
K
R
L
V
A
E
Y
E
A
G
L
D
P
A
-
E
-
Q
R
I
E
A
L
S
K
Q
--
L
G
IDLERI
N
V
D
Q
V
L
Q
E
K
D
F
N
L
P
K
E
S
A
T
P
I
G
I
L
K
S
M
V
D
V
A
L
D
E
-------
K
L
S
L
R
Q
L
A
L
R
------
M
--------
R
------
L
I
A
G
T
P
D
Q
V
A
D
R
L
I
D
W
W
Q
D
E
-
A
A
D
G
F
-
V
I
N
A
P
L-------
L
-------
P
D
-
A
L
E
I
F
V
D
Q
V
V
P
I
L
Q
S
R
G
V
F
P
R
S
Y
T
E
S
T
L
R
E
R
L
G
L
--------------
30
HHSearch
53.54
36%
50
- C2 -
3B9O
1
?
A:
[3-419]
----
K
K
I
H
I
N
A
F
E
M
N
C
V
G
H
I
A
H
G
L
W
R
H
P
E
N
Q
R
H
R
Y
T
D
L
N
Y
W
T
E
L
A
Q
L
L
E
K
G
K
F
D
A
L
F
L
A
D
V
--
V
G
I
Y
D
VY---------
R
Q
SR
D
T
A
V
R
E
A
V
Q
I
P
V
N
D
P
L
M
L
I
S
A
M
A
Y
V
T
K
H
L
A
F
A
V
-
T
-
F
-
S
-
T
T
-
Y
E
H
P
Y
G
H
A
R
R
M
S
T
L
D
H
L
T
K
G
R
I
A
W
N
V
V
T
S
H
L
P
S
A
D
K
N
F
G
I
K
K
I
-
L
E
H
D
E
R
Y
D
L
A
D
E
Y
L
E
V
C
Y
K
L
W
E
G
S
W
E
D
N
A
V
I
R
D
I
E
N
N
I
Y
T
D
P
-
S
K
V
H
E
I
N
H
S
G
K
Y
F
-
E
V
P
G
P
-
H
---------
L
C
E
P
S
P
Q
-
R
T
P
V
I
Y
Q
A
G
M
-
S
--
E
R
G
R
E
F
A
A
K
H
A
E
C
V
F
L
G
G
K
--
D
V
E
T
L
K
-
F
F
V
D
D
I
R
K
R
A
K
K
Y
G
R
N
P
D
H
I
K
M
F
A
G
I
C
V
I
V
G
K
T
H
D
E
A
M
E
K
L
N
S
F
-
Q
K
Y
W
S
L
-
E
-
G
H
L
A
H
Y
G
G
G
--
T
G
-------
Y
D
L
S
K
Y
S
S
N
D
Y
I
G
---------------------------
S
I
S
V
G
E
I
I
N
N
------
M
S
KLD
G
K
W
F
K
------
L
S
V
G
T
P
K
K
V
A
D
E
M
Q
Y
L
V
E
E
A
-
G
I
D
G
F
-
N
L
V
Q
Y
V-------
S
-------
P
G
-
T
F
V
D
F
I
E
L
V
V
P
E
L
Q
K
R
G
L
Y
R
V
D
Y
E
E
G
T
Y
R
E
K
L
F
G
K
-------------
32
HHSearch
52.55
21%
-49
- C2 -
1NQK
-
SSUD_ECOLI
A:
[2-360]
-----
S
L
N
M
F
W
F
L
P
T
-----
H
G
D
G
H
Y
L
G
T
E
E
G
S
R
P
V
D
H
G
Y
L
Q
Q
I
A
Q
A
A
D
R
L
G
Y
T
G
V
L
I
P
T
G
--
R
-----------------------------
S
C
E
D
A
W
L
V
A
A
S
M
I
P
V
T
Q
R
L
K
F
L
V
-
A
-
L
-
R
-
P
S
-
V
T
S
P
T
V
A
A
R
Q
A
A
T
L
D
R
L
S
N
G
R
A
L
F
N
L
V
T
G
S
D
P
Q
E
L
A
G
D
G
V
F
---
L
D
H
S
E
R
Y
E
A
S
A
E
F
T
Q
V
W
R
R
L
L
Q
-
R
----------------------
E
T
V
D
F
N
G
K
H
I
-
H
V
R
G
A
-
K
---------
L
L
F
P
A
I
Q
Q
P
Y
P
P
L
Y
F
G
G
S
-
S
--
D
V
A
Q
E
L
A
A
E
Q
V
D
L
Y
L
T
W
G
E
--
P
P
E
L
V
K
-
E
K
I
E
Q
V
R
A
K
A
A
A
H
G
R
K
---
I
R
F
G
I
R
L
H
V
I
V
R
E
T
N
D
E
A
W
Q
A
A
E
R
L
-
I
S
H
L
D
D
-
E
--
T
I
A
K
A
Q
A
A
--
F
A
-------
R
------------------------------
D
------
N
L
E
I
S
P
N
L
W
A
G
V
GLV---
R
----
G
G
A
G
T
------
A
L
V
G
D
G
P
T
V
A
A
R
I
N
E
Y
A
A
L
--
G
I
D
S
F
-
V
L
S
G
Y
P-------
H
-------
L
E
-
E
A
Y
R
V
G
E
L
L
F
P
L
L
D
V
A
I
P
E
I
P
Q
P
Q
------------------------
34
HHSearch
52.54
23%
-37
- C2 -
3RAO
4
?
A:
[18-366]
--
Y
F
Q
G
V
E
Y
G
F
W
L
P
I
-
F
G
-----
G
W
L
R
N
V
N
D
E
S
M
P
P
T
F
E
Y
A
K
Q
T
A
Q
A
A
E
Q
L
G
F
S
T
T
L
I
A
E
L
--
N
L
N
D
I
-----------
K
-----
G
----
V
S
A
P
S
L
E
A
W
T
T
A
A
A
L
A
A
V
T
D
R
L
E
I
M
T
-
A
-
V
-
R
-
P
G
-
F
H
N
P
A
V
T
A
K
M
A
A
N
I
D
Q
L
S
N
G
R
F
T
L
N
V
V
S
A
W
W
E
E
E
A
K
Q
Y
G
G
V
-
F
-
T
A
H
D
E
R
Y
D
R
T
E
E
F
V
T
I
L
K
G
L
W
K
-
E
----------------------
E
E
F
S
Y
K
G
N
F
Y
-
E
L
H
H
T
-
H
---------
L
S
P
K
P
V
Q
K
Q
G
I
K
L
Y
A
G
G
E
-
S
--
K
R
G
K
E
V
I
V
N
H
A
D
A
Y
V
M
H
G
G
--
T
V
E
E
V
S
-
V
K
I
E
D
M
K
N
R
R
K
K
V
T
E
E
P
L
-
Q
S
F
G
L
A
A
Y
V
I
C
R
H
T
E
E
E
A
L
E
E
W
R
R
I
-
T
D
V
K
-------------
F
--
V
S
---------
K
S
Q
L
------
E
Q
------------------
Q
V
---
K
L
N
D
Y
S
V
S
N
R
---------------
G
L
R
P
------
N
L
I
G
T
P
E
Q
I
A
E
R
I
L
A
F
E
K
V
--
G
V
T
L
L
-
L
L
Q
F
S
P-------
Q
-------
L
E
-
E
M
K
R
F
S
E
K
V
M
P
L
V
E
A
K
R
-------------------------------
5
PsiBlast_PDB
50.31
34%
57
- C2 -
3B9O
1
?
A:
[16-416]
---------
G
H
I
A
H
G
-
L
-------
W
R
H
P
E
N
Q
R
H
R
Y
T
D
L
N
Y
W
T
E
L
A
Q
L
L
E
K
G
K
F
D
A
L
F
L
A
D
V
--
V
G
I
Y
D
VYRQSR
D
T
A
V
R
E
A
---
V
Q
----
I
P
V
N
--
D
P
L
M
L
I
S
A
M
A
Y
V
T
K
H
L
A
F
A
V
-
T
-
F
-
S
-
T
T
-
Y
E
H
P
Y
G
H
A
R
R
M
S
T
L
D
H
L
T
K
G
R
I
A
W
N
V
V
T
S
H
L
P
S
A
D
K
N
F
G
I
K
K
I
-
L
E
H
D
E
R
Y
D
L
A
D
E
Y
L
E
V
C
Y
K
L
W
E
G
S
W
E
D
N
A
V
I
R
D
I
E
N
N
I
Y
T
D
P
-
S
K
V
H
E
I
N
H
S
G
K
Y
F
-
E
V
P
G
P
-
H
---------
L
C
E
P
S
P
Q
-
R
T
P
V
I
Y
Q
A
G
M
-
S
--
E
R
G
R
E
F
A
A
K
H
A
E
C
V
F
L
G
G
K
--
D
V
E
T
L
K
-
F
F
V
D
D
I
R
K
R
A
K
K
Y
G
R
N
P
D
H
I
K
M
F
A
G
I
C
V
I
V
G
K
T
H
D
E
A
M
E
K
L
N
S
F
-
Q
K
Y
W
S
L
-
E
-
G
---
H
L
A
H
Y
G
G
G
T
------
G
Y
D
L
S
K
Y
S
S
N
D
Y
I
G
S
I
---------
S
V
G
E
I
I
N
N
M
S
---
K
L
D
G
K
W
F
K
---------------------------
L
S
V
G
T
P
K
K
V
A
D
E
M
Q
Y
L
V
E
E
A
-
G
I
D
G
F
N
L
V
Q
Y
V
--------
S
-------
P
G
-
T
F
V
D
F
I
E
L
V
V
P
E
L
Q
K
R
G
L
Y
R
V
D
Y
E
E
G
T
Y
R
E
K
L
----------------
17
PsiBlast_CBE
50.00
34%
55
- C2 -
3B9O
1
?
B:
[16-416]
---------
G
H
I
A
H
G
-
L
-------
W
R
H
P
E
N
Q
R
H
R
Y
T
D
L
N
Y
W
T
E
L
A
Q
L
L
E
K
G
K
F
D
A
L
F
L
A
D
V
--
V
G
I
Y
D
VYRQSRDTAVR
E
A
---
V
Q
----
I
P
V
N
--
D
P
L
M
L
I
S
A
M
A
Y
V
T
K
H
L
A
F
A
V
-
T
-
F
-
S
-
T
T
-
Y
E
H
P
Y
G
H
A
R
R
M
S
T
L
D
H
L
T
K
G
R
I
A
W
N
V
V
T
S
H
L
P
S
A
D
K
N
F
G
I
K
K
I
-
L
E
H
D
E
R
Y
D
L
A
D
E
Y
L
E
V
C
Y
K
L
W
E
G
S
W
E
D
N
A
V
I
R
D
I
E
N
N
I
Y
T
D
P
-
S
K
V
H
E
I
N
H
S
G
K
Y
F
-
E
V
P
G
P
-
H
---------
L
C
E
P
S
P
Q
-
R
T
P
V
I
Y
Q
A
G
M
-
S
--
E
R
G
R
E
F
A
A
K
H
A
E
C
V
F
L
G
G
K
--
D
V
E
T
L
K
-
F
F
V
D
D
I
R
K
R
A
K
K
Y
G
R
N
P
D
H
I
K
M
F
A
G
I
C
V
I
V
G
K
T
H
D
E
A
M
E
K
L
N
S
F
-
Q
K
Y
W
S
L
-
E
-
G
---
H
L
A
H
Y
GG
G
T
------
G
Y
D
L
S
K
Y
S
S
N
D
Y
I
G
S
I
---------
S
V
G
E
I
I
N
N
M
S
---
K
L
D
G
K
W
F
K
---------------------------
L
S
V
G
T
P
K
K
V
A
D
E
M
Q
Y
L
V
E
E
A
-
G
I
D
G
F
N
L
V
Q
Y
V
--------
S
-------
P
G
-
T
F
V
D
F
I
E
L
V
V
P
E
L
Q
K
R
G
L
Y
R
V
D
Y
E
E
G
T
Y
R
E
K
L
----------------
4
PsiBlast_PDB
49.63
34%
56
- C2 -
3B9N
-
?
A:
[16-416]
---------
G
H
I
A
H
G
-
L
-------
W
R
H
P
E
N
Q
R
H
R
Y
T
D
L
N
Y
W
T
E
L
A
Q
L
L
E
K
G
K
F
D
A
L
F
L
A
D
V
--
V
G
I
Y
D
VYRQSR
D
T
A
V
R
E
A
---
V
Q
----
I
P
V
N
--
D
P
L
M
L
I
S
A
M
A
Y
V
T
K
H
L
A
F
A
V
-
T
-
F
-
S
-
T
T
-
Y
E
H
P
Y
G
H
A
R
R
M
S
T
L
D
H
L
T
K
G
R
I
A
W
N
V
V
T
S
H
L
P
S
A
D
K
N
F
G
I
K
K
I
-
L
E
H
D
E
R
Y
D
L
A
D
E
Y
L
E
V
C
Y
K
L
W
E
G
S
W
E
D
N
A
V
I
R
D
I
E
N
N
I
Y
T
D
P
-
S
K
V
H
E
I
N
H
S
G
K
Y
F
-
E
V
P
G
P
-
H
---------
L
C
E
P
S
P
Q
-
R
T
P
V
I
Y
Q
A
G
M
-
S
--
E
R
G
R
E
F
A
A
K
H
A
E
C
V
F
L
G
G
K
--
D
V
E
T
L
K
-
F
F
V
D
D
I
R
K
R
A
K
K
Y
G
R
N
P
D
H
I
K
M
F
A
G
I
C
V
I
V
G
K
T
H
D
E
A
M
E
K
L
N
S
F
-
Q
K
Y
W
S
L
-
E
-
G
---
H
L
A
H
Y
G
G
G
T
------
G
Y
D
L
S
K
Y
S
S
N
D
Y
I
G
S
I
---------
S
V
G
E
I
I
N
N
M
S
---
K
L
D
G
K
W
F
K
---------------------------
L
S
V
G
T
P
K
K
V
A
D
E
M
Q
Y
L
V
E
E
A
-
G
I
D
G
F
N
L
V
Q
Y
V
--------
S
-------
P
G
-
T
F
V
D
F
I
E
L
V
V
P
E
L
Q
K
R
G
L
Y
R
V
D
Y
E
E
G
T
Y
R
E
K
L
----------------
33
HHSearch
46.84
15%
-22
- C2 -
1LUC
5
LUXB_VIBHA
B:
[1-320]
------
M
K
F
G
L
F
F
L
N
----
F
M
N
S
----
K
---
R
S
S
D
Q
V
I
E
E
M
L
D
T
A
H
Y
V
D
Q
L
K
F
D
T
L
A
V
Y
E
N
--
H
F
S
N
N
-----------
G
-------------
V
V
G
A
P
L
T
V
A
G
F
L
L
G
M
T
K
N
A
K
V
A
S
-
L
-
N
H
V
-
I
T
-
T
H
H
P
V
R
V
A
E
E
A
C
L
L
D
Q
M
S
E
G
R
F
A
F
G
F
S
D
C
E
K
S
A
D
M
R
F
F
N
R
-----
P
T
D
S
Q
F
Q
L
F
S
E
C
H
K
I
I
N
D
A
F
T
-
T
----------------------
G
Y
C
H
P
N
N
D
F
Y
-
S
F
P
K
I
-
S
---------
V
N
P
H
A
F
T
E
G
G
P
A
Q
F
V
N
A
T
-
S
--
K
E
V
V
E
W
A
A
K
L
G
L
P
L
V
F
R
W
D
D-
S
N
A
Q
R
K
-
E
Y
A
G
L
Y
H
E
V
A
Q
A
H
G
V
D
V
S
Q
V
R
H
K
L
T
L
L
V
N
Q
N
V
D
G
E
A
A
R
A
E
A
R
V
Y
-
L
E
E
F
V
R
-----------
E
--
S
Y
------------
S
N
T
-----------------------
D
F
-------
E
Q
K
M
G
E
L
----------------
L
S
E
------
N
A
I
G
T
Y
E
E
S
T
Q
A
A
R
V
A
I
E
C
C
-
G
A
A
D
L
-
L
M
S
F
E
S-------
M
ED
K
A
Q
Q
-
R
A
-
V
I
D
V
V
N
A
N
I
V
--------------------------------------
41
HHSearch
45.78
18%
-24
- C2 -
1RHC
5
?
A:
[2-330]
-----
K
T
Q
I
G
Y
F
A
S
L
------------------
E
Q
Y
R
P
M
D
A
L
E
Q
A
I
R
A
E
K
V
G
F
D
S
V
W
V
D
D
H
--
F
H
P
W
Y
-----------
H
----------
D
N
A
Q
S
A
Q
A
W
A
W
M
G
A
A
L
Q
A
T
K
K
V
F
I
S
T
-
C
-
I
-
T
C
P
I
M
R
Y
N
P
A
I
V
A
Q
T
F
A
T
L
R
Q
M
Y
P
G
R
V
G
V
A
V
G
A
G
E
A
M
N
E
V
P
V
T
G
E
W
---
P
S
V
P
V
R
Q
D
M
T
V
E
A
V
K
V
M
R
M
L
W
E
-
S
D
---------------------
K
P
V
T
F
K
G
D
Y
F
-
T
L
D
K
A
-
F
---------
L
Y
T
K
P
D
D
--
E
V
P
L
Y
F
S
G
M
-
G
--
P
K
G
A
K
L
A
G
M
Y
G
D
H
L
M
T
V
A
A
--
A
P
S
T
L
K
N
V
T
I
P
K
F
E
E
G
A
R
E
A
G
K
D
P
S
K
M
E
H
A
M
L
I
W
Y
S
V
D
P
D
Y
D
K
A
V
E
A
L
R
F
W
-
A
G
C
L
V
P
-
S
---
M
---
F
K
Y
--
K
V
------------
Y
D
P
K
E
-
V
Q
L
-------------------
H
----
A
N
L
V
H
C
D
T
I
---------------
K
E
N
Y
------
M
C
A
T
D
A
E
E
M
I
K
E
I
E
R
F
K
E
A
--
G
I
N
H
F
-
C
L
G
N
S
SPD-----
V
-------
N
F
-
G
I
D
I
F
-
K
E
V
I
P
A
V
R
D
---------------------------------
39
HHSearch
44.89
19%
-3
- C2 -
4UWM
5
C16MO_PSEPU
A:
[2-376]
-----
A
M
E
T
G
L
I
F
H
P
-
Y
---
M
R
P
----
G
R
---
S
A
R
Q
T
F
D
W
G
I
K
S
A
V
Q
A
D
S
V
G
I
D
S
M
M
I
S
E
H
--
A
S
Q
I
W
-----------
E
-------------
N
I
P
N
P
E
L
L
I
A
A
A
A
L
Q
T
K
N
I
K
F
A
P
-
M
-
A
H
L
-
L
P
-
H
Q
H
P
A
K
L
A
T
M
I
G
W
L
S
Q
I
L
E
G
R
Y
F
L
G
I
G
A
G
A
Y
P
Q
A
S
Y
M
H
G
I
R
N
A
G--
T
K
N
L
N
D
M
V
R
E
S
L
F
I
M
E
K
I
W
K
-
R
----------------------
E
P
F
F
H
E
G
K
Y
W
-
D
A
G
Y
P
-
E
E
LEDEQHKL
A
D
F
S
P
W
G
G
K
A
P
E
I
A
V
T
G
F
-
S
YN
S
P
S
M
R
L
A
G
E
R
N
F
K
P
V
S
I
F
S
--
G
L
D
A
L
K
-
R
H
W
E
V
Y
S
E
A
A
I
E
A
G
H
T
P
D
R
S
R
H
A
V
S
H
T
V
F
C
A
D
T
D
K
E
A
K
R
L
V
M
E
G
P
I
G
Y
C
F
E
-
R
--
Y
L
I
P
I
W
R
R
--
F
G
-------
M
M
D
-
G
Y
------
A
K
D
---------------
A
G
I
----
D
P
V
D
A
D
L
E
F
L
---------------
V
D
N
V
------
F
L
V
G
S
P
D
T
V
T
E
K
I
N
A
L
F
E
A
T
G
G
W
G
T
L
-
Q
V
E
A
H
D-------
Y
YDDP
A
P
W
F
Q
-
S
L
E
L
I
S
K
E
V
A
P
K
I
L
L
P
--------------------------------
35
HHSearch
44.24
14%
-15
- C2 -
1LUC
6
LUXA_VIBHA
A:
[1-354]
------
M
K
F
G
N
F
L
L
T
-
Y
---
Q
P
P
----
E
L
---
S
Q
T
E
V
M
K
R
L
V
N
L
G
K
A
S
E
G
C
G
F
D
T
V
W
L
L
E
H
--
H
F
T
E
F
-----------
G
-------------
L
L
G
N
P
Y
V
A
A
A
H
L
L
G
A
T
E
T
L
N
V
G
T
-
A
A
I
-
V
-
L
P
-
T
A
H
P
V
R
Q
A
E
D
V
N
L
L
D
Q
M
S
K
G
R
F
R
F
G
I
C
R
G
L
Y
D
K
D
F
R
V
F
G
T
-----
D
M
D
N
S
R
A
L
M
D
C
W
Y
D
L
M
K
E
G
F
N
-
E
----------------------
G
Y
I
A
A
D
N
E
H
I
-
K
F
P
K
I
-
Q
---------
L
N
P
S
A
Y
T
Q
G
G
A
P
V
Y
V
V
A
E
-
S
--
A
S
T
T
E
W
A
A
E
R
G
L
P
M
I
L
S
W
I
I-
N
T
H
E
K
K
-
A
Q
L
D
L
Y
N
E
V
A
T
E
H
G
Y
D
V
T
K
I
D
H
C
L
S
Y
I
T
S
V
D
H
D
S
N
R
A
K
D
I
C
R
N
F
-
L
G
H
W
Y
D
-
S
Y
V
N
A
T
K
I
F
-----------------------------------------------------------
R
I
--------
D
----
Y
S
Y
E
I
------
N
P
V
G
T
P
E
E
C
I
A
I
I
Q
Q
D
I
D
A
T
-
G
I
D
N
I
-
C
C
G
F
E
AN------
G
S
E
E
E
I
--
I
A
-
S
M
K
L
F
Q
S
D
V
M
P
Y
L
K
E
K
--------------------------------
38
HHSearch
43.66
16%
-2
* C2 *
2I7G
2
?
A:
[21-364]
-----
G
M
E
L
G
L
Y
T
F
A
-
D
V
-
N
P
N
P
A
D
G
R
G
---
P
E
G
A
R
R
L
R
E
L
L
E
E
I
E
L
A
D
Q
V
G
L
D
V
F
G
L
G
E
H
--
H
R
P
D
Y
-------------------------
V
V
S
S
P
S
T
V
L
A
A
A
A
V
K
T
K
N
I
R
L
T
S
-
A
-
V
-
S
V
L
S
-
S
D
D
P
V
R
V
F
Q
Q
F
S
T
V
D
L
L
S
N
G
R
A
E
I
M
A
G
R
G
S
F
I
E
S
Y
P
L
F
G
Y
-----
D
L
E
D
Y
D
V
L
F
A
E
K
L
D
L
L
L
A
L
R
E
-
Q
----------------------
E
V
V
T
W
S
G
T
K
H
P
A
I
N
G
R
-
G
---------
V
Y
P
R
P
L
Q
-
E
R
L
P
V
W
I
A
V
G
G
T
--
P
Q
S
V
A
R
A
G
A
M
G
L
P
V
A
L
A
I
I
GG
E
Y
R
R
F
A
-
P
L
F
D
L
Y
H
E
A
A
R
R
A
G
Q
E
K
T
K
L
R
T
S
I
N
V
H
G
F
I
A
D
T
T
D
K
A
A
D
Q
F
Y
G
P
-
Q
A
E
V
M
N
-------
R
I
G
R
E
--
R
G
------------
W
G
P
T
---
N
-------------------------
R
--
A
H
F
D
A
A
---------
R
----
G
P
E
G
N
------
L
F
L
G
E
P
E
L
V
A
E
K
I
I
K
A
H
G
V
F
-
K
N
D
R
F
-
L
L
Q
M
A
IGLMP
H
D
Q
I
-------
M
R
-
G
I
E
L
Y
G
T
K
V
A
P
L
V
R
K
E
L
T
------------------------------