@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 : bsu36510: (2016-07-31 )
MQMGDTVFMFFCALLVWLMTPGLALFYGGMVKSKNVLSTAMHSFSSIAIVSIVWVLFGYTLAFAPGNSIIGGLEWAGLKGVGFDPGDYSDTIPHSLFMMFQMTFAVLTTAIISGAFAERMRFGAFLLFSVLWASLVYTPVAHWVWGGGWIGQLGALDFAGGNVVHISSGVAGLVLAIVLGKRKDGTASSPHNLIYTFLGGALIWFGWFGFNVGSALTLDGVAMYAFINTNTAAAAGIAGWILVEWIINKKPTMLGAVSGAIAGLVAITPAAGFVTPFASIIIGIIGGAVCFWGVFSLKKKFGYDDALDAFGLHGIGGTWGGIATGLFATTSVNSAGADGLFYGDASLIWKQIVAIAATYVFVFIVTFVIIKIVSLFLPLRATEEEESLGLDLTMHGEKAYQDSM
Atome Classification :
(21 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..---------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------MQMG
D
T
V
F
M
F
F
C
A
L
L
V
W
L
M-T-P
G
L
A
L
F
YGGMVKS
K
N
V
L
S
T
A
M
H
S
F
S
S
I
A
I
V
S
I
V
W
V
L
F
G
Y
T
L
AFA---PG---NS-IIGGLEWAGLKGVGFDPGDYSDT
I
P
H
S
L
F
M
M
F
Q
M
T
F
A
V
L
T
T
A
I
I
S
G
A
F
A
E
R
M
R
F
G
A
F
L
L
F
S
V
L
W
A
S
L
V
Y
T
P
V
A
H
W
V
W-G-G-GWIGQLG
A
L
DFAGG
N
V
V
H
ISSG
V
A
G
L
V
L
A
I
V
LGKRK--D--G------TASS------P
H
N
L
I
Y
T
F
LG
G
A
L
I
W
F
G
W
FGFNVGS
A
L
T
LD
G
V
A
M
Y
A
F
INTNTA
A
A
A
G
I
A
G
W
I
L
V
E
W
I
-I-NKKP
T
M
L
G
A
V
S
G
A
I
A
G
L
V
A
ITPAA
G
F
V
T
P
F
A
S
I
I
I
G
I
I
G
G
A
V
C
F
W
G
V
-
F
S
L
K
K
KFGYD
D
A
L
D
A
FGLHGIGG
T
W
G
G
I
A
T
G
L
F
A
T
TSVNSAG-------A-D-------G
L
F
YG
D
A
S
L
I
---
W
K
Q
I
----
V
A
I
A
A
T
Y
V
F
V
F
I
V
T
F
V
I
I
K
I
V
S
L
--
F
LPLRATE
E
E
ESLG
L
D
L
T
MHG
E
K
A
YQDSM---------
44
HHSearch
88.66
45%
-163
* C4 *
1U7G
5
AMTB_ECOLI
A:
[6-385]
--------------------------
D
K
A
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
T
I
-
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
S
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
--
L
T
A
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
P
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--
G
--
F
GK----
E
A
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
L
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
R
V
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
-------
F
A
E
-------
G
V
--
T
M
G
H
Q
L
---
L
V
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
--------------------------------
14
PsiBlast_PDB
87.93
45%
-163
- C4 -
1U7C
1
AMTB_ECOLI
A:
[9-384]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
S
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
P
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--
G
FG
K
------
E
A
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
L
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
R
V
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
---------------------------------
8
PsiBlast_PDB
87.81
46%
-149
- C4 -
2NUU
-
AMTB_ECOLI
A:
[18-414]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--
G
FG
K
------
E
A
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
R
V
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
E
E
Q
E
R
E
G
L
D
V
N
S
H
G
E
N
A
Y
N
------------
42
HHSearch
87.71
47%
-141
- C4 -
2B2H
-
?
A:
[1-391]
-------------------------
M
S
D
G
N
V
A
W
I
L
A
S
T
A
L
V
M
L
M
-
V
-
P
G
V
G
F
F
Y
A
G
M
V
R
R
K
N
A
V
N
M
I
A
L
S
F
I
S
L
I
I
T
V
L
L
W
I
F
Y
G
Y
S
V
S
F
G
---
N
D
I--
S
G
-
I
I
G
G
L
N
Y
A
L
L
S
G
---------
V
K
G
E
D
L
L
F
M
M
Y
Q
M
M
F
A
A
V
T
I
A
I
L
T
S
A
I
A
E
R
A
K
V
S
S
F
I
L
L
S
A
L
W
L
T
F
V
Y
A
P
F
A
H
W
L
W
-
G
-
G
-
G
W
L
A
K
L
G
A
L
D
F
A
G
G
M
V
V
H
I
S
S
G
F
A
A
L
A
V
A
M
T
I
G
K
R
A
--
G
--
F
EE----
Y
S
I
E
------
P
H
S
I
P
L
T
L
I
G
A
A
L
L
W
F
G
W
F
G
F
N
G
G
S
A
L
A
A
N
D
V
A
I
N
A
V
V
V
T
N
T
S
A
A
V
A
G
F
V
W
M
V
I
G
W
I
---
K
G
K
P
G
S
L
G
I
V
S
G
A
I
A
G
L
A
A
I
T
P
A
A
G
F
V
D
V
K
G
A
I
V
I
G
L
V
A
G
I
V
C
Y
L
A
M
-
D
F
R
I
-
K
K
K
I
D
E
S
L
D
A
W
A
I
H
G
I
G
G
L
W
G
S
V
A
V
G
I
L
A
N
P
E
V
N
G
---------
Y
-
A
-------
G
L
L
F
G
N
P
Q
L
L
---
V
S
Q
L
----
I
A
V
A
S
T
T
A
Y
A
F
L
V
T
L
I
L
A
K
A
V
D
A
--
A
V
G
L
R
V
S
S
Q
E
E
Y
V
G
L
D
L
S
Q
H
E
E
V
A
Y
T
------------
7
PsiBlast_PDB
87.31
46%
-146
- C4 -
2NS1
10
AMTB_ECOLI
A:
[9-405]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--
G
FG
K
------
E
A
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
R
V
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
E
E
Q
E
R
E
G
L
D
V
N
S
H
G
E
N
A
Y
N
------------
15
PsiBlast_PDB
86.71
45%
-162
- C4 -
1U7G
5
AMTB_ECOLI
A:
[9-384]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
S
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
P
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--
G
FG
K
------
E
A
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
L
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
R
V
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
---------------------------------
3
PsiBlast_PDB
86.45
46%
-129
- C4 -
2B2I
-
?
A:
[1-390]
-------------------------
M
S
D
G
N
V
A
W
I
L
A
S
T
A
L
V
M
L
M
-
V
-
P
G
V
G
F
F
Y
A
G
M
V
R
R
K
N
A
V
N
M
I
A
L
S
F
I
S
L
I
I
T
V
L
L
W
I
F
Y
G
Y
S
V
S
F
G
---
N
D
---
I
S
G
I
I
G
G
L
N
Y
A
L
L
S
G
V
K
G
E
---------
D
L
L
F
M
M
Y
Q
M
M
F
A
A
V
T
I
A
I
L
T
S
A
I
A
E
R
A
K
V
S
S
F
I
L
L
S
A
L
W
L
T
F
V
Y
A
P
F
A
H
W
L
W
-
G
-
G
-
G
W
L
A
K
L
G
A
L
D
F
A
G
G
M
V
V
H
I
S
S
G
F
A
A
L
A
V
A
M
T
I
G
K
R
A
GF
E
--
E
------
Y
S
I
E
------
P
H
S
I
P
L
T
L
I
G
A
A
L
L
W
F
G
W
F
G
F
N
G
G
S
A
L
A
A
N
D
V
A
I
N
A
V
V
V
T
N
T
S
A
A
V
A
G
F
V
W
M
V
I
G
W
--
I
-
K
G
K
P
G
S
L
G
I
V
S
G
A
I
A
G
L
A
A
I
T
P
A
A
G
F
V
D
V
K
G
A
I
V
I
G
L
V
A
G
I
V
C
Y
L
A
M
D
F
R
I
K
K
K
I
--
D
E
S
L
D
A
W
A
I
H
G
I
G
G
L
W
G
S
V
A
V
G
I
L
A
N
P
E
V
N
--
G
-------
Y
-
A
-------
G
L
L
F
G
N
P
Q
L
L
---
V
S
Q
L
----
I
A
V
A
S
T
T
A
Y
A
F
L
V
T
L
I
L
A
K
A
V
D
A
--
A
V
G
L
R
V
S
S
Q
E
E
Y
V
G
L
D
L
S
Q
H
E
E
V
A
Y
-------------
1
PsiBlast_PDB
86.26
46%
-128
- C4 -
2B2F
-
?
A:
[1-390]
-------------------------
M
S
D
G
N
V
A
W
I
L
A
S
T
A
L
V
M
L
M
-
V
-
P
G
V
G
F
F
Y
A
G
M
V
R
R
K
N
A
V
N
M
I
A
L
S
F
I
S
L
I
I
T
V
L
L
W
I
F
Y
G
Y
S
V
S
F
G
---
N
D
---
I
S
G
I
I
G
G
L
N
Y
A
L
L
S
G
V
K
G
E
---------
D
L
L
F
M
M
Y
Q
M
M
F
A
A
V
T
I
A
I
L
T
S
A
I
A
E
R
A
K
V
S
S
F
I
L
L
S
A
L
W
L
T
F
V
Y
A
P
F
A
H
W
L
W
-
G
-
G
-
G
W
L
A
K
L
G
A
L
D
F
A
G
G
M
V
V
H
I
S
S
G
F
A
A
L
A
V
A
M
T
I
G
K
R
A
GF
E
--
E
------
Y
S
I
E
------
P
H
S
I
P
L
T
L
I
G
A
A
L
L
W
F
G
W
F
G
F
N
G
G
S
A
L
A
A
N
D
V
A
I
N
A
V
V
V
T
N
T
S
A
A
V
A
G
F
V
W
M
V
I
G
W
--
I
-
K
G
K
P
G
S
L
G
I
V
S
G
A
I
A
G
L
A
A
I
T
P
A
A
G
F
V
D
V
K
G
A
I
V
I
G
L
V
A
G
I
V
C
Y
L
A
M
D
F
R
I
K
K
K
I
--
D
E
S
L
D
A
W
A
I
H
G
I
G
G
L
W
G
S
V
A
V
G
I
L
A
N
P
E
V
N
--
G
-------
Y
-
A
-------
G
L
L
F
G
N
P
Q
L
L
---
V
S
Q
L
----
I
A
V
A
S
T
T
A
Y
A
F
L
V
T
L
I
L
A
K
A
V
D
A
--
A
V
G
L
R
V
S
S
Q
E
E
Y
V
G
L
D
L
S
Q
H
E
E
V
A
Y
-------------
2
PsiBlast_PDB
85.30
46%
-128
- C4 -
2B2H
-
?
A:
[1-390]
-------------------------
M
S
D
G
N
V
A
W
I
L
A
S
T
A
L
V
M
L
M
-
V
-
P
G
V
G
F
F
Y
A
G
M
V
R
R
K
N
A
V
N
M
I
A
L
S
F
I
S
L
I
I
T
V
L
L
W
I
F
Y
G
Y
S
V
S
F
G
---
N
D
---
I
S
G
I
I
G
G
L
N
Y
A
L
L
S
G
V
K
G
E
---------
D
L
L
F
M
M
Y
Q
M
M
F
A
A
V
T
I
A
I
L
T
S
A
I
A
E
R
A
K
V
S
S
F
I
L
L
S
A
L
W
L
T
F
V
Y
A
P
F
A
H
W
L
W
-
G
-
G
-
G
W
L
A
K
L
G
A
L
D
F
A
G
G
M
V
V
H
I
S
S
G
F
A
A
L
A
V
A
M
T
I
G
K
R
A
GF
E
--
E
------
Y
S
I
E
------
P
H
S
I
P
L
T
L
I
G
A
A
L
L
W
F
G
W
F
G
F
N
G
G
S
A
L
A
A
N
D
V
A
I
N
A
V
V
V
T
N
T
S
A
A
V
A
G
F
V
W
M
V
I
G
W
--
I
-
K
G
K
P
G
S
L
G
I
V
S
G
A
I
A
G
L
A
A
I
T
P
A
A
G
F
V
D
V
K
G
A
I
V
I
G
L
V
A
G
I
V
C
Y
L
A
M
D
F
R
I
K
K
K
I
--
D
E
S
L
D
A
W
A
I
H
G
I
G
G
L
W
G
S
V
A
V
G
I
L
A
N
P
E
V
N
--
G
-------
Y
-
A
-------
G
L
L
F
G
N
P
Q
L
L
---
V
S
Q
L
----
I
A
V
A
S
T
T
A
Y
A
F
L
V
T
L
I
L
A
K
A
V
D
A
--
A
V
G
L
R
V
S
S
Q
E
E
Y
V
G
L
D
L
S
Q
H
E
E
V
A
Y
-------------
4
PsiBlast_PDB
85.26
46%
-126
- C4 -
2B2J
13
?
A:
[1-390]
-------------------------
M
S
D
G
N
V
A
W
I
L
A
S
T
A
L
V
M
L
M
-
V
-
P
G
V
G
F
F
Y
A
G
M
V
R
R
K
N
A
V
N
M
I
A
L
S
F
I
S
L
I
I
T
V
L
L
W
I
F
Y
G
Y
S
V
S
F
G
---
N
D
---
I
S
G
I
I
G
G
L
N
Y
A
L
L
S
G
V
K
G
E
---------
D
L
L
F
M
M
Y
Q
M
M
F
A
A
V
T
I
A
I
L
T
S
A
I
A
E
R
A
K
V
S
S
F
I
L
L
S
A
L
W
L
T
F
V
Y
A
P
F
A
H
W
L
W
-
G
-
G
-
G
W
L
A
K
L
G
A
L
D
F
A
G
G
M
V
V
H
I
S
S
G
F
A
A
L
A
V
A
M
T
I
G
K
R
A
GF
E
--
E
------
Y
S
I
E
------
P
H
S
I
P
L
T
L
I
G
A
A
L
L
W
F
G
W
F
G
F
N
G
G
S
A
L
A
A
N
D
V
A
I
N
A
V
V
V
T
N
T
S
A
A
V
A
G
F
V
W
M
V
I
G
W
--
I
-
K
G
K
P
G
S
L
G
I
V
S
G
A
I
A
G
L
A
A
I
T
P
A
A
G
F
V
D
V
K
G
A
I
V
I
G
L
V
A
G
I
V
C
Y
L
A
M
D
F
R
I
K
K
K
I
--
D
E
S
L
D
A
W
A
I
H
G
I
G
G
L
W
G
S
V
A
V
G
I
L
A
N
P
E
V
N
--
G
-------
Y
-
A
-------
G
L
L
F
G
N
P
Q
L
L
---
V
S
Q
L
----
I
A
V
A
S
T
T
A
Y
A
F
L
V
T
L
I
L
A
K
A
V
D
A
--
A
V
G
L
R
V
S
S
Q
E
E
Y
V
G
L
D
L
S
Q
H
E
E
V
A
Y
-------------
6
PsiBlast_PDB
84.82
46%
-169
- C4 -
1XQE
4
AMTB_ECOLI
A:
[9-386]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
-------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
-------
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
-------------------------------
12
PsiBlast_PDB
84.15
45%
-161
- C4 -
2NPK
5
AMTB_ECOLI
A:
[9-386]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
A
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
R
V
--------------
F
K
------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
R
L
L
--
D
D
P
C
D
V
F
G
V
A
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
-------------------------------
9
PsiBlast_PDB
83.72
46%
-166
- C4 -
3C1I
2
AMTB_ECOLI
A:
[9-386]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
--------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
A
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
-------
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
-------------------------------
34
Fugue
83.53
38%
-121
- C4 -
5AEX
2
MEP2_YEAST
A:
[2-457]
S
Y
N
F
T
G
TPTGEGTGGNSLTTDLNTQ
F
D
L
A
N
M
G
W
I
G
V
A
S
A
G
V
W
I
M
-
V
-
P
G
I
G
L
L
Y
S
G
L
S
R
K
K
H
A
L
S
L
L
W
A
S
M
M
A
S
A
V
C
I
F
Q
W
F
F
W
G
Y
S
L
A
F
S
HNT
R
G
---
N
G
-
F
I
G
T
L
E
F
F
G
F
R
N
V
L
G
A
P
S
S
V
S
-
S
L
P
D
I
L
F
A
V
Y
Q
G
M
F
A
A
V
T
G
A
L
M
L
G
G
A
C
E
R
A
R
L
F
P
M
M
V
F
L
F
L
W
M
T
I
V
Y
C
P
I
A
C
W
V
W
N
A
-
E
-
G
W
L
V
K
L
G
S
L
D
Y
A
G
G
L
C
V
H
L
T
S
G
H
G
G
L
V
Y
A
L
I
L
G
K
R
N
--
D
--
P
------
V
T
R
K
GMPKYK
P
H
S
V
T
S
V
V
L
G
T
V
F
L
W
F
G
W
M
F
F
N
G
G
S
A
G
N
A
T
I
R
A
W
Y
S
I
M
S
T
N
L
A
A
A
C
G
G
L
T
W
M
V
I
D
Y
F
R
C
-
G
R
K
W
T
T
V
G
L
C
S
G
I
I
A
G
L
V
G
I
T
P
A
A
G
F
V
P
I
W
S
A
V
V
I
G
V
V
T
G
A
G
C
N
L
A
V
--
D
L
K
S
L
L
R
I
D
D
G
L
D
C
Y
S
I
H
G
V
G
G
C
I
G
S
V
L
T
G
I
F
A
A
D
Y
V
N
A
T
A
-------
G
-
S
YISPIDG
G
W
I
N
H
H
Y
K
Q
V
---
G
Y
Q
L
----
A
G
I
C
A
A
L
A
W
T
V
T
V
T
S
I
L
L
L
T
M
N
A
IP
F
L
K
L
R
L
S
A
D
E
E
E
L
G
T
D
A
A
Q
I
G
E
F
T
Y
E
E
S
T
AYIPEPIRS
24
PsiBlast_CBE
83.26
46%
-166
- C4 -
4NH2
2
AMTB_ECO57
C:
[9-385]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
-------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
------
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
--------------------------------
25
PsiBlast_CBE
83.01
46%
-168
- C4 -
4NH2
4
AMTB_ECO57
B:
[9-385]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
G
K
-------------------------
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
-------
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
--------------------------------
10
PsiBlast_PDB
82.78
46%
-163
- C4 -
2NOW
4
AMTB_ECOLI
A:
[9-386]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
E
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
--------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
K
-----
D
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
-------------------------------
21
PsiBlast_CBE
82.71
46%
-168
- C4 -
4NH2
2
AMTB_ECO57
F:
[9-385]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
F
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
--------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
F
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
L
---------
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
--------------------------------
43
HHSearch
82.66
38%
-120
- C4 -
5AEX
2
MEP2_YEAST
A:
[28-447]
--------------------------
D
L
A
N
M
G
W
I
G
V
A
S
A
G
V
W
I
M
-
V
-
P
G
I
G
L
L
Y
S
G
L
S
R
K
K
H
A
L
S
L
L
W
A
S
M
M
A
S
A
V
C
I
F
Q
W
F
F
W
G
Y
S
L
A
F
S
---
H
N
TRG
N
G
-
F
I
G
T
L
E
F
F
G
F
R
N
V
L
G
-
A
P
S
S
V
S
S
L
P
D
I
L
F
A
V
Y
Q
G
M
F
A
A
V
T
G
A
L
M
L
G
G
A
C
E
R
A
R
L
F
P
M
M
V
F
L
F
L
W
M
T
I
V
Y
C
P
I
A
C
W
V
W
-
N
A
E
-
G
W
L
V
K
L
G
S
L
D
Y
A
G
G
L
C
V
H
L
T
S
G
H
G
G
L
V
Y
A
L
I
L
G
K
R
N
--
D
--
P
VTRKGM
P
K
Y
K
------
P
H
S
V
T
S
V
V
L
G
T
V
F
L
W
F
G
W
M
F
F
N
G
G
S
A
G
N
A
T
I
R
A
W
Y
S
I
M
S
T
N
L
A
A
A
C
G
G
L
T
W
M
V
I
D
Y
F
-
R
C
G
R
K
W
T
T
V
G
L
C
S
G
I
I
A
G
L
V
G
I
T
P
A
A
G
F
V
P
I
W
S
A
V
V
I
G
V
V
T
G
A
G
C
N
L
A
V
-
D
L
-
K
S
L
L
R
I
D
D
G
L
D
C
Y
S
I
H
G
V
G
G
C
I
G
S
V
L
T
G
I
F
A
A
D
Y
V
N
A
T
A
GSYISPI
D
-
G
-------
G
W
I
N
H
H
Y
K
Q
V
---
G
Y
Q
L
----
A
G
I
C
A
A
L
A
W
T
V
T
V
T
S
I
L
L
L
T
M
N
A
IP
F
L
K
L
R
L
S
A
D
E
E
E
L
G
T
D
A
A
Q
I
G
E
F
T
Y
E
E
S
----------
31
PsiBlast_CBE
82.06
38%
-123
- C4 -
5AEX
2
MEP2_YEAST
B:
[42-447]
----------------------------------------
V
W
I
M
-
V
-
P
G
I
G
L
L
Y
S
G
L
S
R
K
K
H
A
L
S
L
L
W
A
S
M
M
A
S
A
V
C
I
F
Q
W
F
F
W
G
Y
S
L
A
F
S
HNT
R
G
---
N
G
-
F
I
G
T
L
E
F
F
G
F
R
N
V
L
G
A
P
S
S
V
S
-
S
L
P
D
I
L
F
A
V
Y
Q
G
M
F
A
A
V
T
G
A
L
M
L
G
G
A
C
E
R
A
R
L
F
P
M
M
V
F
L
F
L
W
M
T
I
V
Y
C
P
I
A
C
W
V
W
-
N
-
A
E
G
W
L
V
K
L
G
S
L
D
Y
A
G
G
L
C
V
H
L
T
S
G
H
G
G
L
V
Y
A
L
I
L
G
K
R
N
--
D
--
P
------
V
T
R
K
GMPKYK
P
H
S
V
T
S
V
V
L
G
T
V
F
L
W
F
G
W
M
F
F
N
G
G
S
A
G
N
A
T
I
R
A
W
Y
S
I
M
S
T
N
L
A
A
A
C
G
G
L
T
W
M
V
I
D
Y
F
R
C
-
G
R
K
W
T
T
V
G
L
C
S
G
I
I
A
G
L
V
G
I
T
P
A
A
G
F
V
P
I
W
S
A
V
V
I
G
V
V
T
G
A
G
C
N
L
A
V
--
D
L
K
S
L
L
R
I
D
D
G
L
D
C
Y
S
I
H
G
V
G
G
C
I
G
S
V
L
T
G
I
F
A
A
D
Y
V
N
A
T
A
-------
G
-
S
-------
Y
I
S
P
I
D
G
G
W
I
NHH
Y
K
Q
V
G
Y
Q
L
A
G
I
C
A
A
L
A
W
T
V
T
V
T
S
I
L
L
L
T
M
N
A
IP
F
L
K
L
R
L
S
A
D
E
E
E
L
G
T
D
A
A
Q
I
G
E
F
T
Y
E
E
S
----------
11
PsiBlast_PDB
80.51
45%
-167
- C4 -
3C1J
3
AMTB_ECOLI
A:
[9-386]
-----------------------------
D
N
A
F
M
M
I
C
T
A
L
V
L
F
M
-
T
I
P
G
I
A
L
F
Y
G
G
L
I
R
G
K
N
V
L
S
M
L
T
Q
V
T
V
T
F
A
L
V
C
I
L
W
V
V
Y
G
Y
S
L
A
F
G
---
E
G
---
N
N
-
F
F
G
N
I
N
W
L
M
L
K
N
I
E
L
T
A
--
V
M
G
S
I
Y
Q
Y
I
H
V
A
F
Q
G
S
A
A
C
I
T
V
G
L
I
V
G
A
L
A
E
R
I
R
F
S
A
V
L
I
F
V
V
V
W
L
T
L
S
Y
I
P
I
A
H
M
V
W
-
G
-
G
-
G
L
L
A
S
H
G
A
L
D
F
A
G
G
T
V
V
H
I
N
A
A
I
A
G
L
V
G
A
Y
L
I
--------------------------
P
H
N
L
P
M
V
F
T
G
T
A
I
L
Y
I
G
W
F
G
A
N
A
G
S
A
G
T
A
N
E
I
A
A
L
A
F
V
N
T
V
V
A
T
A
A
A
I
L
G
W
I
F
G
E
W
A
-
L
-
R
G
K
P
S
L
L
G
A
C
S
G
A
I
A
G
L
V
G
V
T
P
A
C
G
Y
I
G
V
G
G
A
L
I
I
G
V
V
A
G
L
A
G
L
W
G
V
-
T
M
--------
D
P
C
D
V
F
G
V
H
G
V
C
G
I
V
G
C
I
M
T
G
I
F
A
A
S
S
L
G
G
V
G
F------
A
-
E
-------
G
V
T
M
G
H
Q
L
L
V
-----
Q
L
----
E
S
I
A
I
T
I
V
W
S
G
V
V
A
F
I
G
Y
K
L
A
D
L
--
T
V
G
L
R
V
P
-------------------------------