@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 : Rv2936: (2016-05-15 )
MRNDDMAVVVNGVRKTYGKGKIVALDDVSFKVRRGEVIGLLGPNGAGKTTMVDILSTLTRPDAGSAIIAGYDVVSEPAGVRRSIMVTGQQVAVDDALSGEQNLVLFGRLWGLSKSAARKRAAELLEQFSLVHAGKRRVGTYSGGMRRRIDIACGLVVQPQVAFLDEPTTGLDPRSRQAIWDLVASFKKLGIATLLTTQYLEEADALSDRIILIDHGIIIAEGTANELKHRAGDTFCEIVPRDLKDLDAIVAALGSLLPEHHRAMLTPDSDRITMPAPDGIRMLVEAARRIDEARIELADIALRRPSLDHVFLAMTTDPTESLTHLVSGSAR
Atome Classification :
(28 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)
MRND
D
M
A
V
V
V
N
G
V
R
K
TYG--KG---
K
---
I
V
A
LDD
V
S
F
K
V
RR
G
E
V
I
G
L
LGPNGAG
K
T
T
M
V
D
I
L
S
T
LTRPDAG
S
A
I
I
A
G
Y
DV----VSE----P----AG---V----
R
R
S
I
M
VT--G
Q
--------
Q
V
A-VDDALSGEQ
N
L
V
L
F
G
-
R
L
W------G-L
S
K
S
A
A
R
K
R
A
A
E
L
L
E
Q
F
S
L
V
-
H
A-GKRRVGTYSGGM
R
R
R
I
D
I
A
C
G
L
V
VQ
P
Q
V
A
F
LDEPTTGLDP
R
S
R
Q
A
I
W
D
L
V
A
S
F
-
K
-K-L
G
I
A
T
L
-
L
T
T
Q
Y
L
E
E
A
D
ALS
D
R
I
I
L
I
DH
G
I
I
I
AEG
T
A
N
E
L
K
H
RAG
D
T
F
C
-------
E
I
V
P
R
D
L
K
D
----
L
D
---
A
I
V
A
A
L
G
S
L
L
P
E
H
H
R
AMLT--PDSD
R
I
TMPAP
D
G
I
R
M
L
V
E
A
A
R
R
I
D
E
A
R
I
E
L
A
D
I
ALRRPSL
D
H
V
F
L
A
MTTD
P
T
E
S
L
T
H
L
VSGSAR--------------------
2
PsiBlast_PDB
82.60
37%
-105
- C1 -
1VPL
2
?
A:
[15-236]
------
A
V
V
V
K
D
L
R
K
R
I
G
--
K
K
---
E
---
I
--
L
K
G
I
S
F
E
I
E
E
G
E
I
F
G
L
I
G
P
N
G
A
G
K
T
T
T
L
R
I
I
S
T
L
I
K
P
S
S
G
I
V
T
V
F
G
K
N
V
----
V
E
E
----
P
----
H
E
---
V
----
R
K
L
I
S
Y
L
--
P
E
--------
E
A
G
-
A
Y
R
N
M
Q
G
I
E
Y
L
R
F
V
A
-
G
F
Y
------
A
-
S
S
S
S
E
I
E
E
M
V
E
R
A
T
E
I
A
G
L
G
-
E
K
-
I
K
D
R
V
S
T
Y
S
K
G
M
V
R
K
L
L
I
A
R
A
L
M
V
N
P
R
L
A
I
L
D
E
P
T
S
G
L
D
V
L
N
A
R
E
V
R
K
I
L
K
Q
A
-
S
-
Q
-
E
G
L
T
I
L
-
V
S
S
H
N
M
L
E
V
E
F
L
C
D
R
I
A
L
I
H
N
G
T
I
V
E
T
G
T
V
E
E
L
K
E
R
-----------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.47
33%
-106
- C1 -
4WBS
1
?
A:
[39-265]
------
S
L
V
V
R
N
L
K
K
R
Y
G
--
S
R
---
T
---
V
V
--
K
D
V
S
L
D
V
K
S
G
E
V
V
G
L
L
G
P
N
G
A
G
K
T
T
S
F
Y
M
I
V
G
L
V
P
L
D
A
G
E
I
D
L
D
G
K
S
I
----
S
L
L
----
P
----
I
H
---
K
----
R
A
S
L
G
L
S
Y
L
P
Q
--------
E
A
S
-
V
F
R
K
L
S
V
E
E
N
I
R
A
V
L
-
E
L
Q
VGDDGK
R
-
L
S
K
D
A
I
A
S
R
T
E
A
L
L
D
E
L
Q
I
S
-
H
L
-
R
E
N
P
A
L
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
T
N
P
S
F
I
L
L
D
E
P
F
A
G
V
D
P
I
A
V
L
E
I
Q
K
I
V
K
F
L
-
K
-
Q
-
R
N
I
G
V
L
-
I
T
D
H
N
V
R
E
T
L
G
I
C
D
H
A
Y
I
I
S
D
G
S
V
L
A
A
G
A
P
G
D
I
--------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.22
30%
-105
- C1 -
1Z47
1
?
A:
[13-242]
-----
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
-----------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
76.54
29%
-103
- C1 -
4YMW
-
?
J:
[2-229]
-------
I
F
V
N
D
V
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
INK
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
K
N
--------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
76.17
29%
-104
- C1 -
4YMU
2
?
J:
[2-229]
-------
I
F
V
N
D
V
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
INK
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
K
N
--------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
75.97
29%
-106
- C1 -
4YMS
-
?
J:
[2-229]
-------
I
F
V
N
D
V
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
INK
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
K
N
--------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
75.63
29%
-103
- C1 -
4YMT
-
?
J:
[2-229]
-------
I
F
V
N
D
V
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
INK
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
K
N
--------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
75.35
29%
-104
- C1 -
4YMV
1
?
J:
[2-229]
-------
I
F
V
N
D
V
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
INK
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
K
N
--------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
74.94
33%
-101
- C1 -
4WBS
1
?
B:
[39-265]
------
S
L
V
V
R
N
L
K
K
R
Y
G
--
S
R
---
T
---
V
V
--
K
D
V
S
L
D
V
K
S
G
E
V
V
G
L
L
G
P
N
G
A
G
K
T
T
S
F
Y
M
I
V
G
L
V
P
L
D
A
G
E
I
D
L
D
G
K
S
I
----
S
L
L
----
P
----
I
H
---
K
----
R
A
S
L
G
L
S
Y
L
P
Q
--------
E
A
S
-
V
F
R
K
L
S
V
E
E
N
I
R
A
V
L
-
E
L
Q
VGGK--
R
-
L
S
K
D
A
I
A
S
R
T
E
A
L
L
D
E
L
Q
I
S
-
H
L
-
R
E
N
P
A
L
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
T
N
P
S
F
I
L
L
D
E
P
F
A
G
V
D
P
I
A
V
L
E
I
Q
K
I
V
K
F
L
-
K
-
Q
-
R
N
I
G
V
L
-
I
T
D
H
N
V
R
E
T
L
G
I
C
D
H
A
Y
I
I
S
D
G
S
V
L
A
A
G
A
P
G
D
I
--------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
74.64
23%
-81
- 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
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
IGE
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---------------
43
HHSearch
74.55
29%
-106
- C1 -
4RVC
-
?
A:
[2-224]
-----
T
L
L
E
V
K
D
L
S
G
G
Y
T
-------
A
---
Q
N
V
L
E
D
V
T
F
V
V
D
R
G
E
M
V
A
L
I
G
L
N
G
A
G
K
S
T
T
I
K
H
I
I
G
L
M
E
P
R
R
G
A
I
S
I
N
G
Y
R
L
----
A
D
G
----
P
----
E
T
---
Y
----
R
R
Q
F
A
Y
I
--
P
E
--------
T
P
V
-
L
Y
E
E
L
T
L
E
E
H
L
R
L
A
A
-
M
A
Y
------
G
-
L
S
E
A
E
Y
E
R
R
L
P
P
L
L
R
E
F
R
L
E
-
R
R
-
L
S
S
F
P
A
H
F
S
K
G
M
K
Q
K
V
M
I
V
C
A
F
L
L
E
P
P
L
Y
I
I
D
E
P
F
L
G
L
D
P
L
A
I
H
A
L
L
E
R
M
N
E
Q
-
K
-
A
-
K
G
A
G
I
L
-
L
S
T
H
I
L
A
T
A
E
R
Y
C
D
S
F
V
I
L
H
N
G
R
V
K
A
K
G
T
L
D
D
I
R
R
Q
-----------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
74.47
28%
-103
* C1 *
3TUI
1
METN_ECOLI
C:
[23-254]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
--
Q
G
TR-
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
ESEL
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
-----------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
74.27
23%
-86
- C1 -
1OXS
23
?
C:
[1-352]
----
M
V
R
I
I
V
K
N
V
S
K
V
F
K
--
K
G
---
K
---
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
----
A
S
N
GKLI
V
----
P
P
---
E
----
D
R
K
I
G
M
V
--
F
Q
--------
T
W
A
-
L
Y
P
N
L
T
A
F
E
N
I
A
F
P
L
-
T
N
M
------
K
-
M
S
K
E
E
I
R
K
R
V
E
E
V
A
K
I
L
D
I
H
-
H
V
-
L
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
V
K
E
V
Q
S
-
R
-
L
G
V
T
L
L
-
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
P
E
D
L
Y
D
N
P
V
S
I
Q
V
-------
A
S
L
I
G
E
I
N
E
----
L
E
---
G
K
V
T
N
E
G
V
V
I
G
S
L
R
F
P
V
S
V
--
S
S
D
R
A
I
I
G
I
R
P
E
D
V
K
L
S
K
D
V
I
K
D
D
S
W
I
L
V
G
K
G
K
V
K
V
I
G
Y
Q
G
G
L
F
R
I
T
I
T
P
L
D
S
E
E
E
I
F
T
Y
S
D
H
P
I
HSGEEVLVYVRKDKIKVFEK
26
HHSearch
73.56
30%
-101
- C1 -
1Z47
1
?
A:
[11-237]
---
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
----------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
73.46
28%
-103
- C1 -
4MKI
4
ECFA2_CALS4
B:
[5-239]
-----
M
P
I
K
V
E
N
V
S
F
I
Y
N
--
E
G
---
T
PYA
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
----
T
D
K
----
K
----
V
S
L
K
D
I
----
R
K
Q
V
G
L
V
--
F
Q
YPEYQLFE
E
T
V
-
F
K
D
I
A
F
G
P
S
N
L
--------------
G
-
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
I
S
-
K
E
L
A
D
K
S
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
-
H
D
K
-
Y
K
M
I
T
I
-
L
V
S
H
N
M
E
D
I
A
R
I
A
D
K
I
I
V
M
N
R
G
K
I
E
L
I
G
T
P
R
E
V
F
R
E
A
----------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
73.32
28%
-100
- C1 -
4MKI
4
ECFA2_CALS4
B:
[5-238]
-----
M
P
I
K
V
E
N
V
S
F
I
Y
N
--
E
G
TPY
A
---
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
----
T
D
K
KVS-
L
----
K
D
---
I
----
R
K
Q
V
G
L
V
--
F
Q
--------
Y
P
E
Y
Q
L
F
E
E
T
V
F
K
D
I
A
F
G
P
-
S
N
L
------
G
-
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
I
S
K
E
L
-
A
D
K
S
P
F
E
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
-
H
-
D
K
Y
K
M
I
T
I
-
L
V
S
H
N
M
E
D
I
A
R
I
A
D
K
I
I
V
M
N
R
G
K
I
E
L
I
G
T
P
R
E
V
F
R
E
-----------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
73.08
30%
-100
- C1 -
1OXX
21
?
K:
[2-231]
-----
V
R
I
I
V
K
N
V
S
K
V
F
K
--
K
G
---
K
---
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
----
A
S
N
GKLI
V
----
P
P
---
E
----
D
R
K
I
G
M
V
--
F
Q
--------
T
W
A
-
L
Y
P
N
L
T
A
F
E
N
I
A
F
P
L
-
T
N
M
------
K
-
M
S
K
E
E
I
R
K
R
V
E
E
V
A
K
I
L
D
I
H
-
H
V
-
L
N
H
F
P
R
E
L
S
G
A
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
V
K
E
V
-
Q
-
S
R
L
G
V
T
L
L
-
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
P
E
D
L
Y
D
N
-----------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
73.08
30%
-105
- C1 -
1OXT
-
?
A:
[4-228]
-------
I
I
V
K
N
V
S
K
V
F
K
--
K
G
---
K
---
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
----
A
S
N
----
G
----
K
L
---
I
VPPE
D
R
K
I
G
M
V
--
F
Q
--------
T
W
A
-
L
Y
P
N
L
T
A
F
E
N
I
A
F
P
L
-
T
N
M
------
K
-
M
S
K
E
E
I
R
K
R
V
E
E
V
A
K
I
L
D
I
H
-
H
V
-
L
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
V
K
E
V
-
Q
S
R
-
L
G
V
T
L
L
-
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
P
E
D
L
--------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
72.84
22%
-88
- C1 -
3TUZ
3
METN_ECOLI
H:
[23-362]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
QG
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
TTLS
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
Q
S
T
L
H
----
L
D
IPE
D
Y
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
KVEV----------------
9
PsiBlast_PDB
72.68
36%
-99
- C1 -
4P32
2
LPTB_ECOLI
A:
[10-223]
--------------
K
A
Y
---
K
G
---
R
---
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
72.33
36%
-98
- C1 -
4P32
2
LPTB_ECOLI
B:
[10-223]
--------------
K
A
Y
---
K
G
---
R
---
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
LH--
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
71.35
36%
-96
- C1 -
4P33
7
LPTB_ECOLI
A:
[10-223]
--------------
K
A
Y
---
K
G
---
R
---
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
70.53
36%
-94
- C1 -
4P33
6
LPTB_ECOLI
B:
[10-223]
--------------
K
A
Y
---
K
G
---
R
---
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
LH--
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
68.88
36%
-92
- C1 -
4QC2
2
?
A:
[11-224]
--------------
K
A
Y
---
K
G
---
R
---
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
67.65
36%
-90
- C1 -
4QC2
2
?
B:
[11-224]
--------------
K
A
Y
---
K
G
---
R
---
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
LH--
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
60.07
37%
-27
- C1 -
4YER
4
?
A:
[3-303]
---
E
D
I
I
V
V
E
N
L
V
K
K
F
-----
G
---
D
---
F
E
A
V
K
G
V
S
F
S
V
K
K
G
E
I
F
A
F
L
G
P
N
G
A
G
K
T
T
T
I
H
M
L
T
T
L
L
K
P
T
S
G
K
A
W
V
A
G
H
D
V
----
L
K
E
----
P
----
R
E
---
V
----
R
R
K
I
G
I
V
--
F
Q
--------
D
Q
S
-
L
D
R
E
L
T
A
Y
E
N
M
Y
I
H
G
-
K
I
Y
------
G
-
Y
G
G
E
K
L
K
K
R
I
L
E
L
L
E
F
V
E
L
L
-
E
F
-
K
D
K
P
V
K
T
F
S
G
G
M
A
R
R
L
E
I
A
R
S
L
I
H
E
P
E
V
L
F
L
D
E
P
T
I
G
L
D
P
H
T
R
A
H
M
W
E
Y
I
S
K
M
-
K
-
K
-
E
H
N
M
T
I
F
L
T
T
H
Y
M
D
E
A
E
Q
L
A
D
R
V
A
I
I
D
H
G
K
I
I
A
L
G
T
P
T
E
L
K
R
M
V
G
K
E
I
I
-------
Y
V
------
R
-----------------
D
F
I
E
S
C
R
K
L
----
P
D
G
-
R
L
E
L
N
V
E
D
------------------
I
E
E
I
T
Y
H
K
P
T
L
N
D
V
F
L
H
L
T
------------------------------------
25
HHSearch
53.13
36%
-14
- C1 -
4YER
4
?
A:
[2-309]
---
M
E
D
I
I
V
V
E
N
L
V
K
K
F
G
-------
D
---
F
E
A
V
K
G
V
S
F
S
V
K
K
G
E
I
F
A
F
L
G
P
N
G
A
G
K
T
T
T
I
H
M
L
T
T
L
L
K
P
T
S
G
K
A
W
V
A
G
H
D
V
----
L
K
E
----
P
----
R
E
---
V
----
R
R
K
I
G
I
V
--
F
Q
--------
D
Q
S
-
L
D
R
E
L
T
A
Y
E
N
M
Y
I
H
G
-
K
I
Y
------
G
-
Y
G
G
E
K
L
K
K
R
I
L
E
L
L
E
F
V
E
L
L
-
E
F
-
K
D
K
P
V
K
T
F
S
G
G
M
A
R
R
L
E
I
A
R
S
L
I
H
E
P
E
V
L
F
L
D
E
P
T
I
G
L
D
P
H
T
R
A
H
M
W
E
Y
I
S
K
M
-
K
-
K
E
H
N
M
T
I
F
-
L
T
T
H
Y
M
D
E
A
E
Q
L
A
D
R
V
A
I
I
D
H
G
K
I
I
A
L
G
T
P
T
E
L
K
R
M
V
G
K
E
I
I
-------
Y
V
R
-----------------------
D
F
I
E
S
C
R
K
-
L
P
--
D
G
R
L
E
L
N
V
E
D
--------------------
I
E
E
I
T
Y
H
K
P
T
L
N
D
V
F
L
H
L
T
G
R
E
L
R
E
------------------------------
13
PsiBlast_PDB
42.17
36%
-20
- C1 -
4P31
2
LPTB_ECOLI
A:
[10-223]
--------------
K
A
Y
---
K
G
---
R
---
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
Q
G
H
L
I
A
H
G
T
P
T
E
I
--------------------------------------------------------------------------------------------------------------------------------------------