@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 : Rv1600: (2016-05-03 )
MTRSGHPVTLDDLPLRADLRGKAPYGAPQLAVPVRLNTNENPHPPTRALVDDVVRSVREAAIDLHRYPDRDAVALRADLAGYLTAQTGIQLGVENIWAANGSNEILQQLLQAFGGPGRSAIGFVPSYSMHPIISDGTHTEWIEASRANDFGLDVDVAVAAVVDRKPDVVFIASPNNPSGQSVSLPDLCKLLDVAPGIAIVDEAYGEFSSQPSAVSLVEEYPSKLVVTRTMSKAFAFAGGRLGYLIATPAVIDAMLLVRLPYHLSSVTQAAARAALRHSDDTLSSVAALIAERERVTTSLNDMGFRVIPSDANFVLFGEFADAPAAWRRYLEAGILIRDVGIPGYLRATTGLAEENDAFLRASARIATDLVPVTRSPVGAP
Atome Classification :
(30 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)
MTRSGH
P
V
TLDDLPLRADLRGKAPY---GAP
Q
---
L
---
A
V
P
--
V
R
LNTNEN---PHP
P
T
R
A
L
V
D
D
V
V
R
S
V
R
E
A
A
I
D
LHRYPDRD
A
V
A
L
R
A
D
L
A
G
Y
L
T
AQTG
I
Q
LG
V
E
N
IWAANG
S
N
E
I
L
Q
Q
L
L
Q
A
FGGPG-RS
A
I
GFV-P-SYSM-HPIISDGTHT
E
W
I
EASRANDFGL-
D
V
D
V
A
V
A
A
V
VDRKP
D
V
V
F
I
ASPNNPSGQSV
S
L
P
D
L
C
K
L
L
DV--APG--
I
A
I
V
--
D
E
A
Y
G
EF---SSQP
S
A
V
S
L
V
E
EYPS
K
L
V
V
T
R
T
M
S
K
A
F
A
FAG
G
R
L
G
Y
L
IA
T
P
A
V
I
D
A
M
-
L
L
V
RL
P
Y
H
L
S
S
-
V
T
Q
A
A
A
R
A
-------
A
L--RHSD--
D
T
L
--
S
S
V
A
A
L
I
A
E
R
E
R
V
TTSLNDM-G--
F
--
R
V
IPSDA
N
F
V
L
F
GEFADA
P
A
A
W
R
R
Y
L
EA
G
I
L
I
R
DV----G----I----P
G
Y
---
L
R
ATTGLAEEN
D
A
F
L
R
A
S
A
R
I
A
T
D
L
VPVTRSPVGAP
21
PsiBlast_CBE
97.25
100%
-106
- C1 -
4R8D
8
HIS8_MYCTU
B:
[8-372]
------
P
V
T
L
D
D
L
P
L
R
A
D
L
R
G
K
A
P
Y
---
G
A
P
Q
---
L
---
A
V
P
--
V
R
L
N
T
N
E
N
---
P
H
P
P
T
R
A
L
V
D
D
V
V
R
S
V
R
E
A
A
I
D
L
H
R
Y
P
D
R
D
A
V
A
L
R
A
D
L
A
G
Y
L
T
A
Q
T
G
I
Q
L
G
V
E
N
I
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
S
A
I
G
F
V
-
P
-
S
Y
S
M
-
H
P
I
I
S
D
G
T
H
T
E
W
I
E
A
S
R
A
N
D
F
G
L
-
D
V
D
V
A
V
A
A
V
V
D
R
K
P
D
V
V
F
I
A
S
P
N
N
P
S
G
Q
S
V
S
L
P
D
L
C
K
L
L
D
V
--
A
P
G
--
I
A
I
V
--
D
E
A
Y
G
E
F
---
S
S
Q
P
S
A
V
S
L
V
E
E
Y
P
S
K
L
V
V
T
R
T
M
S
K
A
F
A
F
A
G
G
R
L
G
Y
L
I
A
T
P
A
V
I
D
A
M
-
L
L
V
R
L
P
Y
H
L
S
S
-
V
T
Q
A
A
A
R
A
-------
A
L
--
R
H
S
D
--
D
T
L
--
S
S
V
A
A
L
I
A
E
R
E
R
V
T
T
S
L
N
D
M
-
G
--
F
--
R
V
I
P
S
D
A
N
F
V
L
F
G
E
F
A
D
A
P
A
A
W
R
R
Y
L
E
A
G
I
L
I
R
D
V
----
G
----
I
----
P
G
Y
---
L
R
A
T
T
G
L
A
E
E
N
D
A
F
L
R
A
S
A
R
I
A
T
D
L
V
P
---------
43
HHSearch
96.31
100%
-107
- C1 -
4R8D
8
HIS8_MYCTU
A:
[6-374]
----
G
H
P
V
T
L
D
D
L
P
L
R
A
D
L
R
G
K
A
P
Y
---
G
A
P
Q
---
L
---
A
V
P
--
V
R
L
N
T
N
E
N
---
P
H
P
P
T
R
A
L
V
D
D
V
V
R
S
V
R
E
A
A
I
D
L
H
R
Y
P
D
R
D
A
V
A
L
R
A
D
L
A
G
Y
L
T
A
Q
T
G
I
Q
L
G
V
E
N
I
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
S
A
I
G
F
V
-
P
-
S
Y
S
M
-
H
P
I
I
S
D
G
T
H
T
E
W
I
E
A
S
R
A
N
D
F
G
L
-
D
V
D
V
A
V
A
A
V
V
D
R
K
P
D
V
V
F
I
A
S
P
N
N
P
S
G
Q
S
V
S
L
P
D
L
C
K
L
L
D
V
--
A
P
G
--
I
A
I
V
--
D
E
A
Y
G
E
F
---
S
S
Q
P
S
A
V
S
L
V
E
E
Y
P
S
K
L
V
V
T
R
T
M
S
K
A
F
A
F
A
G
G
R
L
G
Y
L
I
A
T
P
A
V
I
D
A
M
-
L
L
V
R
L
P
Y
H
L
S
S
-
V
T
Q
A
A
A
R
A
-------
A
L
--
R
H
S
D
--
D
T
L
--
S
S
V
A
A
L
I
A
E
R
E
R
V
T
T
S
L
N
D
M
-
G
--
F
--
R
V
I
P
S
D
A
N
F
V
L
F
G
E
F
A
D
A
P
A
A
W
R
R
Y
L
E
A
G
I
L
I
R
D
V
----
G
----
I
----
P
G
Y
---
L
R
A
T
T
G
L
A
E
E
N
D
A
F
L
R
A
S
A
R
I
A
T
D
L
V
P
V
T
-------
1
PsiBlast_PDB
96.31
100%
-107
- C1 -
4R8D
8
HIS8_MYCTU
A:
[6-374]
----
G
H
P
V
T
L
D
D
L
P
L
R
A
D
L
R
G
K
A
P
Y
---
G
A
P
Q
---
L
---
A
V
P
--
V
R
L
N
T
N
E
N
---
P
H
P
P
T
R
A
L
V
D
D
V
V
R
S
V
R
E
A
A
I
D
L
H
R
Y
P
D
R
D
A
V
A
L
R
A
D
L
A
G
Y
L
T
A
Q
T
G
I
Q
L
G
V
E
N
I
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
S
A
I
G
F
V
-
P
-
S
Y
S
M
-
H
P
I
I
S
D
G
T
H
T
E
W
I
E
A
S
R
A
N
D
F
G
L
-
D
V
D
V
A
V
A
A
V
V
D
R
K
P
D
V
V
F
I
A
S
P
N
N
P
S
G
Q
S
V
S
L
P
D
L
C
K
L
L
D
V
--
A
P
G
--
I
A
I
V
--
D
E
A
Y
G
E
F
---
S
S
Q
P
S
A
V
S
L
V
E
E
Y
P
S
K
L
V
V
T
R
T
M
S
K
A
F
A
F
A
G
G
R
L
G
Y
L
I
A
T
P
A
V
I
D
A
M
-
L
L
V
R
L
P
Y
H
L
S
S
-
V
T
Q
A
A
A
R
A
-------
A
L
--
R
H
S
D
--
D
T
L
--
S
S
V
A
A
L
I
A
E
R
E
R
V
T
T
S
L
N
D
M
-
G
--
F
--
R
V
I
P
S
D
A
N
F
V
L
F
G
E
F
A
D
A
P
A
A
W
R
R
Y
L
E
A
G
I
L
I
R
D
V
----
G
----
I
----
P
G
Y
---
L
R
A
T
T
G
L
A
E
E
N
D
A
F
L
R
A
S
A
R
I
A
T
D
L
V
P
V
T
-------
2
PsiBlast_PDB
93.01
100%
-109
- C1 -
4RAE
-
HIS8_MYCTU
A:
[6-372]
-----
H
P
V
T
L
D
D
L
P
L
R
A
D
L
R
G
K
A
P
Y
---
G
A
P
Q
---
L
---
A
V
P
--
V
R
L
N
T
N
E
N
---
P
H
P
P
T
R
A
L
V
D
D
V
V
R
S
V
R
E
A
A
I
D
L
H
R
Y
P
D
R
D
A
V
A
L
R
A
D
L
A
G
Y
L
T
A
Q
T
G
I
Q
L
G
V
E
N
I
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
S
A
I
G
F
V
-
P
-
S
Y
S
M
-
H
P
I
I
S
D
G
T
H
T
E
W
I
E
A
S
R
A
N
D
F
G
L
-
D
V
D
V
A
V
A
A
V
V
D
R
K
P
D
V
V
F
I
A
S
P
N
N
P
S
G
Q
S
V
S
L
P
D
L
C
K
L
L
D
V
--
A
P
G
--
I
A
I
V
--
D
E
A
Y
G
E
F
---
S
S
Q
P
S
A
V
S
L
V
E
E
Y
P
S
K
L
V
V
T
R
T
M
S
K
A
F
A
F
A
G
G
R
L
G
Y
L
I
A
T
P
A
V
I
D
A
M
-
L
L
V
R
L
P
Y
H
L
S
S
-
V
T
Q
A
A
A
R
A
-------
A
L
--
R
H
S
D
--
D
T
L
--
S
S
V
A
A
L
I
A
E
R
E
R
V
T
T
S
L
N
D
M
-
G
--
F
--
R
V
I
P
S
D
A
N
F
V
L
F
G
E
F
A
D
A
P
A
A
W
R
R
Y
L
E
A
G
I
L
I
R
D
V
----
G
----
I
----
P
G
Y
---
L
R
A
T
T
G
L
A
E
E
N
D
A
F
L
R
A
S
A
R
I
A
T
D
L
V
P
V
--------
23
PsiBlast_CBE
86.16
62%
-103
- C1 -
3CQ5
7
HIS8_CORGL
B:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
3
PsiBlast_PDB
84.24
62%
-103
- C1 -
3CQ5
7
HIS8_CORGL
A:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
22
PsiBlast_CBE
84.23
62%
-101
- C1 -
3CQ5
4
HIS8_CORGL
C:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
5
PsiBlast_PDB
83.60
62%
-102
- C1 -
3CQ6
4
HIS8_CORGL
A:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
26
PsiBlast_CBE
83.24
62%
-107
- C1 -
3CQ6
3
HIS8_CORGL
C:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
44
HHSearch
83.21
60%
-106
* C1 *
3CQ5
7
HIS8_CORGL
A:
[8-366]
--------
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
---
E
E
N
D
A
F
L
D
A
A
A
E
I
I
K
----------
25
PsiBlast_CBE
82.81
62%
-104
- C1 -
3CQ6
1
HIS8_CORGL
E:
[7-364]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
G
E
H
A
Y
---
G
A
P
Q
---
L
---
N
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
N
R
Y
P
E
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
4
PsiBlast_PDB
79.71
62%
-106
- C1 -
3CQ4
1
HIS8_CORGL
A:
[4-361]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
--------------------
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
-----
R
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
D
F
S
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
24
PsiBlast_CBE
79.01
62%
-108
- C1 -
3CQ4
1
HIS8_CORGL
B:
[4-362]
-------
I
T
L
S
D
L
P
L
R
E
E
L
R
--------------------
V
D
--
I
R
L
N
T
N
E
N
---
P
Y
P
P
S
E
A
L
V
A
D
L
V
A
T
V
D
K
I
A
T
E
L
------
D
A
V
E
L
R
D
E
L
A
A
Y
I
T
K
Q
T
G
V
A
V
T
R
D
N
L
W
A
A
N
G
S
N
E
I
L
Q
Q
L
L
Q
A
F
G
G
P
G
-
R
T
A
L
G
F
Q
-
P
-
S
Y
S
M
-
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
G
A
D
F
R
I
-
D
M
D
V
A
L
E
E
I
R
A
K
Q
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
--
A
P
G
--
I
V
I
V
--
D
E
A
Y
A
E
F
---
S
P
S
P
S
A
T
T
L
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
F
I
D
A
V
-
M
L
V
R
L
P
Y
H
L
S
A
-
L
S
Q
A
A
A
I
V
-------
A
L
--
R
H
S
A
--
D
T
L
--
G
T
V
E
K
L
S
V
E
R
V
R
V
A
A
R
L
E
E
L
-
G
--
Y
--
A
V
V
P
S
E
S
N
F
V
F
F
G
---
D
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
V
----
G
----
I
----
A
G
H
---
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
---------------
38
PsiBlast_CBE
62.96
33%
-95
- C1 -
4R5Z
10
PATR_MYCTU
C:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
HI
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
37
PsiBlast_CBE
62.25
33%
-91
- C1 -
4R5Z
9
PATR_MYCTU
D:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
HI
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
42
PsiBlast_CBE
62.22
33%
-92
- C1 -
4R2N
5
PATR_MYCTU
B:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
HI
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
40
PsiBlast_CBE
62.15
33%
-92
- C1 -
4R2N
5
PATR_MYCTU
D:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
HI
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
11
PsiBlast_PDB
61.14
33%
-93
- C1 -
4R2N
6
PATR_MYCTU
A:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
H
I
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
39
PsiBlast_CBE
61.00
33%
-91
- C1 -
4R5Z
13
PATR_MYCTU
B:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
HI
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
12
PsiBlast_PDB
60.71
33%
-90
- C1 -
4R5Z
12
PATR_MYCTU
A:
[6-353]
--------------
L
R
P
E
L
A
G
-
L
P
V
---
Y
V
P
G
---
K
---
T
V
P
GA
I
K
L
A
S
N
E
T
VFG
P
L
P
S
V
R
A
A
I
D
R
A
T
D
T
V
-------
N
R
Y
P
D
N
G
C
V
Q
L
K
A
A
L
A
R
H
L
----
G
P
D
F
A
P
E
H
V
A
V
G
C
G
S
V
S
L
C
Q
Q
L
V
Q
V
T
A
S
V
G
-
D
E
V
V
F
G
W
-
R
-
S
F
E
L
-
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
-
L
T
D
H
T
F
-
D
L
Y
A
M
L
A
T
V
T
D
R
T
-
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
--
V
P
A
H
I
L
I
A
I
--
D
E
A
Y
V
E
Y
IRD
G
M
R
P
D
S
L
G
L
V
R
A
H
-
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
V
I
T
A
L
-
D
K
V
Y
V
P
F
T
V
S
S
-
I
G
Q
A
A
A
I
A
-------
S
L
--
D
A
A
D
--
E
L
L
--
A
R
T
D
T
V
V
A
E
R
A
R
V
S
A
E
L
R
A
A
-
G
--
F
--
T
L
P
P
S
Q
A
N
F
V
W
L
P
L
G
S
R
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
Y
----
G
----
T
----
D
G
----
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
------------
65
Fugue
60.05
32%
-100
- C1 -
1IJI
1
HIS8_ECOLI
A:
[3-356]
------
T
V
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
QSA
R
R
L
G
---
G
---
N
G
D
--
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
----------
T
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
A
------
G
V
K
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
P
P
-
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
G
I
S
D
K
L
--
D
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
K
A
I
V
V
A
--
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
H
-
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
-
P
V
A
D
I
A
A
Q
-------
A
L
S
P
Q
G
I
V
--
A
M
R
--
E
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
CV
E
--
Q
V
F
D
S
E
T
N
Y
I
L
A
-
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
NKQP
S
----
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
L
R
A
E
Q
V
-------------
66
Fugue
58.05
32%
-100
- C1 -
1FG7
1
HIS8_ECOLI
A:
[3-356]
------
T
V
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
---
Q
S
A
R
RLG
G
---
N
G
D
--
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
----------
T
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
A
------
G
V
K
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
-
P
T
Y
G
M
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
G
I
S
D
K
L
--
D
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
K
A
I
V
V
A
--
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
H
-
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
M
K
V
I
A
-
P
Y
P
L
S
T
-
P
V
A
D
I
A
A
Q
-------
A
L
--
S
P
Q
G
--
I
V
A
M
R
E
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
CV
E
--
Q
V
F
D
S
E
T
N
Y
I
L
A
-
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
NKQP
S
----
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
L
R
A
E
Q
V
-------------
15
PsiBlast_PDB
55.42
32%
-97
- C1 -
1IJI
1
HIS8_ECOLI
A:
[4-350]
-------
V
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
Q--
S
A
R
R
---
L
---
G
G
N
GD
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
T
----------
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
----
A
G
V
K
--
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
P
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
-
G
I
S
D
K
L
D
-
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
--
K
A
I
V
V
A
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
P
V
A
D
I
A
A
Q
A
L
S
P
Q
G
I
V
A
M
--
R
E
----------
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
--
C
VE
Q
V
F
D
S
E
T
N
Y
I
L
-
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
KQPS
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
-------------------
14
PsiBlast_PDB
55.00
32%
-98
- C1 -
1GEX
2
HIS8_ECOLI
A:
[5-350]
--------
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
Q----------------GD
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
T
----------
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
----
A
G
V
K
--
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
P
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
-
G
I
S
D
K
L
D
-
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
--
K
A
I
V
V
A
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
P
V
A
D
I
A
A
Q
A
L
S
P
Q
G
I
V
A
M
--
R
E
----------
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
--
C
VE
Q
V
F
D
S
E
T
N
Y
I
L
-
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
KQPS
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
-------------------
19
PsiBlast_PDB
53.65
31%
-94
- C1 -
1FG7
1
HIS8_ECOLI
A:
[4-350]
-------
V
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
---
Q
S
A
R
---
R
LGG
N
G
D
--
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
T
----------
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
----
A
G
V
K
--
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
P
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
-
G
I
S
D
K
L
D
-
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
--
K
A
I
V
V
A
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
-
P
V
A
D
I
A
A
Q
-------
A
L
--
S
P
Q
G
I
V
A
M
R
--
E
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
--
C
VE
Q
V
F
D
S
E
T
N
Y
I
L
-
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
KQPS
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
-------------------
18
PsiBlast_PDB
52.23
31%
-93
- C1 -
1FG3
1
HIS8_ECOLI
A:
[4-350]
-------
V
T
I
T
D
L
A
-
R
E
N
V
R
N
L
T
P
Y
---
Q
S
A
R
---
R
LGG
N
G
D
--
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
T
----------
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
----
A
G
V
K
--
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
P
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
-
G
I
S
D
K
L
D
-
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
--
K
A
I
V
V
A
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
-
P
V
A
D
I
A
A
Q
-------
A
L
--
S
P
Q
G
I
V
A
M
R
--
E
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
--
C
VE
Q
V
F
D
S
E
T
N
Y
I
L
-
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
KQPS
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
-------------------
13
PsiBlast_PDB
50.59
32%
-97
- C1 -
1GEW
1
HIS8_ECOLI
A:
[5-350]
--------
T
I
T
D
L
A
-
R
E
N
V
R
N
L
----------------------
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
T
Q
Q
T
----------
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
----
A
G
V
K
--
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
-
K
D
A
I
L
Y
C
-
P
P
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
-
G
I
S
D
K
L
D
-
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
--
T
R
G
--
K
A
I
V
V
A
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
P
V
A
D
I
A
A
Q
A
L
S
P
Q
G
I
V
A
M
--
R
E
----------
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
-
P
--
C
VE
Q
V
F
D
S
E
T
N
Y
I
L
-
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
KQPS
L
----
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
-------------------
51
HHSearch
47.16
31%
-89
- C1 -
1FG7
1
HIS8_ECOLI
A:
[29-352]
---------------------------------------
N
G
D
--
V
W
L
N
A
N
E
Y
---
P
T
A
V
E
F
Q
L
----
T
Q
------
Q
T
L
N
R
Y
P
E
C
Q
P
K
A
V
I
E
N
Y
A
Q
Y
A
G
V
K
------
P
E
Q
V
L
V
S
R
G
A
D
E
G
I
E
L
L
I
R
A
F
C
E
P
G
K
D
A
I
L
Y
C
P
-
P
-
T
Y
G
M
-
Y
S
V
S
A
E
T
I
G
V
E
C
R
T
V
P
T
L
D
N
W
Q
L
-
D
L
Q
G
I
S
D
K
L
--
D
G
V
K
V
V
Y
V
C
S
P
N
N
P
T
G
Q
L
I
N
P
Q
D
F
R
T
L
L
E
L
T
R
G
K
A
--
I
V
V
A
--
D
E
A
Y
I
E
F
---
C
P
Q
A
S
L
A
G
W
L
A
E
Y
P
-
H
L
A
I
L
R
T
L
S
K
A
F
A
L
A
G
L
R
C
G
F
T
L
A
N
E
E
V
I
N
L
L
-
M
K
V
I
A
P
Y
P
L
S
T
-
P
V
A
D
I
A
A
Q
-------
A
L
--
S
P
Q
G
I
V
A
M
R
--
E
R
V
A
Q
I
I
A
E
R
E
Y
L
I
A
A
L
K
E
I
P
C
--
V
--
E
Q
V
F
D
S
E
T
N
Y
I
L
A
R
F
K
A
S
S
A
V
F
K
S
L
W
D
Q
G
I
I
L
R
D
Q
----
N
----
K
QPSL
S
G
C
---
L
R
I
T
V
G
T
R
E
E
S
Q
R
V
I
D
A
L
R
-----------------
9
PsiBlast_PDB
43.52
31%
-95
- C1 -
1UU2
2
HIS8_THEMA
A:
[24-329]
----------------------------------------------
L
A
L
N
E
N
---
P
F
P
F
P
E
D
L
V
D
E
V
F
R
R
L
N
S
D
A
L
R
I
--
Y
Y
D
S
P
D
E
E
L
I
E
K
I
L
S
Y
L
D
T
D
F
---
L
S
K
N
N
V
S
V
G
N
G
A
D
E
I
I
Y
V
M
M
L
M
F
D
-----
R
S
V
F
F
P
-
P
-
T
Y
S
C
-
Y
R
I
F
A
K
A
V
G
A
K
F
L
E
V
P
L
T
K
D
L
R
I
P
E
V
N
V
G
-------
E
G
D
V
V
F
I
P
N
P
N
N
P
T
G
H
V
F
E
R
E
E
I
E
R
I
L
K
T
--
G
A
F
--
V
A
L
---
D
E
A
Y
Y
E
F
---
H
G
E
-
S
Y
V
D
F
L
K
K
Y
E
N
-
L
A
V
I
R
T
F
S
K
A
F
S
L
A
A
Q
R
V
G
Y
V
V
A
S
E
K
F
I
D
A
Y
-
N
R
V
R
L
P
F
N
V
S
Y
-
V
S
Q
M
F
A
K
V
-------
A
L
--
D
H
R
E
--
I
F
E
--
E
R
T
K
F
I
V
E
E
R
E
R
M
K
S
A
L
R
E
M
-
G
--
Y
--
R
I
T
D
S
R
G
N
F
V
----
F
V
F
M
E
K
E
E
K
E
R
L
L
E
H
L
R
T
K
N
V
----
A
----
V
----
R
S
F
RE
G
V
R
I
T
I
G
K
R
E
E
N
D
M
I
L
R
--------------------
30
PsiBlast_CBE
37.43
31%
-87
- C1 -
1UU2
3
HIS8_THEMA
B:
[24-329]
----------------------------------------------
L
A
L
N
E
N
---
P
F
P
F
P
E
D
L
V
D
E
V
F
R
R
L
N
S
D
A
L
R
I
--
Y
Y
D
S
P
D
E
E
L
I
E
K
I
L
S
Y
L
D
T
D
F
---
L
S
K
N
N
V
S
V
G
N
G
A
D
E
I
I
Y
V
M
M
L
M
F
D
-----
R
S
V
F
F
P
-
P
-
T
Y
S
C
-
Y
R
I
F
A
K
A
V
G
A
K
F
L
E
V
P
L
T
K
D
L
R
I
P
E
V
N
V
G
-------
E
G
D
V
V
F
I
P
N
P
N
N
P
T
G
H
V
F
E
R
E
E
I
E
R
I
L
K
T
--
G
A
F
--
V
A
L
---
D
E
A
Y
Y
E
F
---
H
G
E
-
S
Y
V
D
F
L
K
K
Y
E
N
-
L
A
V
I
R
T
F
S
K
A
F
S
L
A
A
Q
R
V
G
Y
V
V
A
S
E
K
F
I
D
A
Y
-
N
R
V
R
L
P
F
N
V
S
Y
-
V
S
Q
M
F
A
K
V
-------
A
L
--
D
H
R
E
--
I
F
E
--
E
R
T
K
F
I
V
E
E
R
E
R
M
K
S
A
L
R
E
M
-
G
--
Y
--
R
I
T
D
S
R
G
N
F
V
----
F
V
F
M
E
K
E
E
K
E
R
L
L
E
H
L
R
T
K
N
V
----
A
----
V
----
R
S
F
R
E
G
V
R
I
T
I
G
K
R
E
E
N
D
M
I
L
R
--------------------