@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 : PA3999: (2016-02-22 )
MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN
Atome Classification :
(23 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)
M
N
I
T
T
I
A
K
R
L
S
L
L
V
L
F
IAPTAGWAAESMVPAPPQLA
A
K
S
Y
V
L
M
DGES
G
Q
V
L
V
ENNGDQRL
P
P
A
S
L
T
K
L
M
T
A
Y
I
A
TKEIEAGRIGEN
D
L
V
T
V
S
E
H
AWRT------G---G------
S
R
M
F
I
K
VGSQV
S
V
S
D
L
L
H
G
I
I
IQSGND
A
S
V
A
L
A
E
HIAGS
E
D
A
F
A
D
M
M
N
T
T
A
Q
KLGLTNSHFMDATGLPN-
P
D
H
Y
S
S
A
R
D
M
A
V
L
A
R
A
I
I----YGEPS
H
Y
A
I
Y
A
Q
K
--
E
F
L
W
N
N--IKQP-NR
N
L
L
L
W
-R-DK-TVDGLKTGHTDEAG
Y
C
L
V
A
S
A
VRDG
Q
R
M
I
A
V
V
F
GTN
S
E
Q
A
R
A
A
E
T
Q
K
L
L
T
Y
G
F
R
F
F
ESR
N
F
Y
KKGTELTK
G
L
VWKGS
E
H
E
V
K
AGLAED
L
T
MTLP
R
G
Q
M
Q
K
L
Q
A
-
S
MVL-
E
-
P
----
Q
L
MAPIQQG
Q
---
V
I
G
K
V
E
V
K
LD
D
K
VIRSA
D
L
V
A
L
N
AVEEG
G
F
F
R
R
L
W
D
S
I
R
L
F
F
Y
GLFN
21
PsiBlast_CBE
96.89
100%
-88
- C4 -
4K91
2
?
B:
[4-345]
--------------------------
S
M
V
P
A
P
P
Q
L
A
A
K
S
Y
V
L
M
D
G
E
S
G
Q
V
L
V
E
N
N
G
D
Q
R
L
P
P
A
S
L
T
K
L
M
T
A
Y
I
A
T
K
E
I
E
A
G
R
I
G
E
N
D
L
V
T
V
S
E
H
A
W
R
T
------
G
---
G
------
S
R
M
F
I
K
V
G
S
Q
V
S
V
S
D
L
L
H
G
I
I
I
Q
S
G
N
D
A
S
V
A
L
A
E
H
I
A
G
S
E
D
A
F
A
D
M
M
N
T
T
A
Q
K
L
G
L
T
N
S
H
F
M
D
A
T
G
L
P
N
-
P
D
H
Y
S
S
A
R
D
M
A
V
L
A
R
A
I
I
----
Y
G
E
P
S
H
Y
A
I
Y
A
Q
K
--
E
F
L
W
N
N
--
I
K
Q
P
-
N
R
N
L
L
L
W
-
R
-
D
K
-
T
V
D
G
L
K
T
G
H
T
D
E
A
G
Y
C
L
V
A
S
A
V
R
D
G
Q
R
M
I
A
V
V
F
G
T
N
S
E
Q
A
R
A
A
E
T
Q
K
L
L
T
Y
G
F
R
F
F
E
S
R
N
F
Y
K
K
G
T
E
L
T
K
G
L
V
W
K
G
S
E
H
E
V
K
A
G
L
A
E
D
L
T
M
T
L
P
R
G
Q
M
Q
K
L
Q
A
-
S
M
V
L
-
E
-
P
----
Q
L
M
A
P
I
Q
Q
G
Q
---
V
I
G
K
V
E
V
K
L
D
D
K
V
I
R
S
A
D
L
V
A
L
N
A
V
E
E
G
G
------------------
1
PsiBlast_PDB
95.15
100%
-86
- C4 -
4K91
2
?
A:
[3-344]
-------------------------
E
S
M
V
P
A
P
P
Q
L
A
A
K
S
Y
V
L
M
D
G
E
S
G
Q
V
L
V
E
N
N
G
D
Q
R
L
P
P
A
S
L
T
K
L
M
T
A
Y
I
A
T
K
E
I
E
A
G
R
I
G
E
N
D
L
V
T
V
S
E
H
A
W
R
T
------
G
---
G
------
S
R
M
F
I
K
V
G
S
Q
V
S
V
S
D
L
L
H
G
I
I
I
Q
S
G
N
D
A
S
V
A
L
A
E
H
I
A
G
S
E
D
A
F
A
D
M
M
N
T
T
A
Q
K
L
G
L
T
N
S
H
F
M
D
A
T
G
L
P
N
-
P
D
H
Y
S
S
A
R
D
M
A
V
L
A
R
A
I
I
----
Y
G
E
P
S
H
Y
A
I
Y
A
Q
K
--
E
F
L
W
N
N
--
I
K
Q
P
-
N
R
N
L
L
L
W
-
R
-
D
K
-
T
V
D
G
L
K
T
G
H
T
D
E
A
G
Y
C
L
V
A
S
A
V
R
D
G
Q
R
M
I
A
V
V
F
G
T
N
S
E
Q
A
R
A
A
E
T
Q
K
L
L
T
Y
G
F
R
F
F
E
S
R
N
F
Y
K
K
G
T
E
L
T
K
G
L
V
W
K
G
S
E
H
E
V
K
A
G
L
A
E
D
L
T
M
T
L
P
R
G
Q
M
Q
K
L
Q
A
-
S
M
V
L
-
E
-
P
----
Q
L
M
A
P
I
Q
Q
G
Q
---
V
I
G
K
V
E
V
K
L
D
D
K
V
I
R
S
A
D
L
V
A
L
N
A
V
E
E
G
-------------------
4
PsiBlast_PDB
81.83
48%
-79
- C4 -
1Z6F
2
DACA_ECOLI
A:
[6-357]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
7
PsiBlast_PDB
81.43
48%
-79
- C4 -
3MZD
2
DACA_ECOLI
A:
[6-357]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
5
PsiBlast_PDB
80.63
48%
-81
- C4 -
3BEB
2
DACA_ECOLI
A:
[6-357]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
9
PsiBlast_PDB
80.62
48%
-79
- C4 -
3MZF
2
DACA_ECOLI
A:
[6-357]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
6
PsiBlast_PDB
80.12
48%
-79
- C4 -
3BEC
5
DACA_ECOLI
A:
[6-355]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
-------------------
2
PsiBlast_PDB
80.12
48%
-79
- C4 -
1NZO
2
DACA_ECOLI
A:
[6-355]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
-------------------
17
PsiBlast_PDB
79.97
44%
-82
- C4 -
4DRT
2
?
A:
[7-358]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
L
L
A
H
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
NKG
A
------
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
D
G
A
D
A
A
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
S
G
G
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
F
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
M
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
31
HHSearch
79.70
49%
-80
- C4 -
3MZF
2
DACA_ECOLI
A:
[10-357]
-----------------------------
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
GNPVFK
G
---
S
------
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
N
S
L
-
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
N
S
-
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
F
-----------------
10
PsiBlast_PDB
79.64
48%
-77
- C4 -
3IT9
6
DACC_ECOLI
A:
[5-352]
---------------------------
T
V
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
G
K
S
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
24
PsiBlast_CBE
79.47
48%
-78
- C4 -
3ITB
3
DACC_ECOLI
B:
[7-352]
-----------------------------
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
G
K
S
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
3
PsiBlast_PDB
79.36
48%
-79
- C4 -
1NZU
1
DACA_ECOLI
A:
[6-355]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
----S-----
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
-------------------
13
PsiBlast_PDB
79.17
48%
-83
- C4 -
1HD8
-
DACA_ECOLI
A:
[6-356]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
--------------------------
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
D
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
------------------
8
PsiBlast_PDB
79.04
48%
-81
- C4 -
3MZE
5
DACA_ECOLI
A:
[6-355]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
D
A
W
A
T
------
G
---
N
PVFKGS
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
G
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
-------------------
12
PsiBlast_PDB
78.72
48%
-77
- C4 -
3ITB
4
DACC_ECOLI
A:
[5-352]
---------------------------
T
V
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
---
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
26
PsiBlast_CBE
78.70
48%
-79
- C4 -
3ITA
4
DACC_ECOLI
B:
[6-352]
----------------------------
V
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
G
K
S
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
23
PsiBlast_CBE
78.52
48%
-78
- C4 -
3ITB
3
DACC_ECOLI
C:
[6-352]
----------------------------
V
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
G
K
S
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
14
PsiBlast_PDB
77.84
48%
-81
- C4 -
1NJ4
-
DACA_ECOLI
A:
[6-355]
-------------------------
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
----------------KGS---
S
L
M
F
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
D
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
-
N
R
N
G
L
L
W
-
D
-
N
S
L
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
-
N
S
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
-------------------
52
Fugue
77.77
46%
-84
- C4 -
1HD8
-
DACA_ECOLI
A:
[3-356]
----------------------
L
N
I
K
T
M
I
P
G
V
P
Q
I
D
A
E
S
Y
I
L
I
D
Y
N
S
G
K
V
L
A
E
Q
N
A
D
V
R
R
D
P
A
S
L
T
K
M
M
T
S
Y
V
I
G
Q
A
M
K
A
G
K
F
K
E
T
D
L
V
T
I
G
N
--------------------------
L
K
P
G
M
Q
V
P
V
S
Q
L
I
R
D
I
N
L
Q
S
G
N
D
A
C
V
A
M
A
D
F
A
A
G
S
Q
D
A
F
V
G
L
M
N
S
Y
V
N
A
L
G
L
K
N
T
H
F
Q
T
V
H
G
L
D
A
-
D
G
Q
Y
S
S
A
R
D
M
A
L
I
G
Q
A
L
I
----
R
D
V
P
N
E
Y
S
I
Y
K
E
K
--
E
F
T
F
N
G
--
I
R
Q
L
N
R
N
G
L
L
W
D
-
N
-
S
L
-
N
V
D
G
I
K
T
G
H
T
D
K
A
G
Y
N
L
V
A
S
A
T
E
G
Q
M
R
L
I
S
A
V
M
G
G
R
T
F
K
G
R
E
A
E
S
K
K
L
L
T
W
G
F
R
F
F
E
T
V
N
P
L
K
V
G
K
E
F
A
S
E
P
V
W
F
G
D
S
D
R
A
S
L
G
V
D
K
D
V
Y
L
T
I
P
R
G
R
M
K
D
L
K
A
-
S
Y
V
L
N
S
-
S
----
E
L
H
A
P
L
Q
K
N
Q
---
V
V
G
T
I
N
F
Q
L
D
G
K
T
I
E
Q
R
P
L
V
V
L
Q
E
I
P
E
G
N
------------------
22
PsiBlast_CBE
76.41
48%
-74
- C4 -
3ITB
3
DACC_ECOLI
D:
[2-352]
------------------------
A
E
Q
T
V
E
A
P
-
S
V
D
A
R
A
W
I
L
M
D
Y
A
S
G
K
V
L
A
E
G
N
A
D
E
K
L
D
P
A
S
L
T
K
I
M
T
S
Y
V
V
G
Q
A
L
K
A
D
K
I
K
L
T
D
M
V
T
V
G
K
D
A
W
A
T
------
G
---
N
PALRGS
S
V
M
F
L
K
P
G
D
Q
V
S
V
A
D
L
N
K
G
V
I
I
Q
S
G
N
D
A
C
I
A
L
A
D
Y
V
A
G
S
Q
E
S
F
I
G
L
M
N
G
Y
A
K
K
L
G
L
T
N
T
T
F
Q
T
V
H
G
L
D
A
-
P
G
Q
F
S
T
A
R
D
M
A
L
L
G
K
A
L
I
----
H
D
V
P
E
E
Y
A
I
H
K
E
K
--
E
F
T
F
N
K
--
I
R
Q
P
-
N
R
N
R
L
L
W
-
S
-
S
N
L
N
V
D
G
M
K
T
G
T
T
A
G
A
G
Y
N
L
V
A
S
A
T
Q
G
D
M
R
L
I
S
V
V
L
G
A
K
T
D
R
I
R
F
N
E
S
E
K
L
L
T
W
G
F
R
F
F
E
T
V
T
P
I
K
P
D
A
T
F
V
T
Q
R
V
W
F
G
D
K
S
E
V
N
L
G
A
G
E
A
G
S
V
T
I
P
R
G
Q
L
K
N
L
K
A
-
S
Y
T
L
T
E
-
P
----
Q
L
T
A
P
L
K
K
G
Q
---
V
V
G
T
I
D
F
Q
L
N
G
K
S
I
E
Q
R
P
L
I
V
M
E
N
V
E
E
G
G
------------------
18
PsiBlast_PDB
63.54
32%
-74
- C4 -
3MFD
6
DACB_BACSU
A:
[4-320]
-------------------------------
A
I
D
V
S
A
K
S
A
I
I
I
D
G
A
S
G
R
V
L
Y
A
K
D
E
H
Q
K
R
R
I
A
S
I
T
K
I
M
T
A
V
L
A
---
I
E
S
G
K
M
D
Q
T
--
V
T
V
S
A
N
A
V
R
T
------
E
---
G
------
S
A
I
Y
L
T
E
G
Q
K
V
K
L
K
D
L
V
Y
G
L
M
L
R
S
G
N
D
A
A
V
A
I
A
E
H
V
G
G
S
L
D
G
F
V
Y
M
M
N
Q
K
A
E
Q
L
G
M
K
N
T
R
F
Q
N
P
H
G
L
D
D
H
E
N
H
Y
S
T
A
Y
D
M
A
I
L
T
K
Y
A
M
K
L
K
D
Y
Q
K
I
S
G
T
K
I
Y
K
A
E
TM
E
S
V
W
K
N
-------
K
N
K
L
L
T
M
-
L
-
Y
P
-
Y
S
T
G
G
K
T
G
Y
T
K
L
A
K
R
T
L
V
S
T
A
S
K
D
G
I
D
L
I
A
V
T
I
N
D
P
N
D
W
---
D
D
H
M
K
M
F
N
Y
V
F
E
H
Y
Q
T
Y
L
I
A
K
K
G
-
D
I
P
K
---
L
K
G
T
F
Y
E
S
K
A
F
I
K
R
D
I
T
Y
L
L
T
E
E
E
K
E
N
V
K
I
N
T
T
L
L
-
K
-
P
----
K
K
A
W
E
K
D
A
S
K
IPD
I
V
G
H
M
E
I
M
F
N
D
A
T
I
---------------------------------
34
HHSearch
57.60
33%
-68
- C4 -
3MFD
6
DACB_BACSU
A:
[4-329]
-------------------------------
A
I
D
V
S
A
K
S
A
I
I
I
D
G
A
S
G
R
V
L
Y
A
K
D
E
H
Q
K
R
R
I
A
S
I
T
K
I
M
T
A
V
L
A
I
E
S
---
G
--
K
M
D
Q
T
V
T
V
S
A
N
A
V
R
T
------
E
---
G
------
S
A
I
Y
L
T
E
G
Q
K
V
K
L
K
D
L
V
Y
G
L
M
L
R
S
G
N
D
A
A
V
A
I
A
E
H
V
G
G
S
L
D
G
F
V
Y
M
M
N
Q
K
A
E
Q
L
G
M
K
N
T
R
F
Q
N
P
H
G
L
D
D
H
E
N
H
Y
S
T
A
Y
D
M
A
I
L
T
K
Y
A
M
----
K
-
L
K
D
Y
Q
K
I
S
G
T
K
--
I
Y
K
A
E
T
ME
S
V
W
K
-
N
K
N
K
L
L
T
M
L
-
Y
P
-
Y
S
T
G
G
K
T
G
Y
T
K
L
A
K
R
T
L
V
S
T
A
S
K
D
G
I
D
L
I
A
V
T
I
N
D
P
---
N
D
W
D
D
H
M
K
M
F
N
Y
V
F
E
H
Y
Q
T
Y
L
I
A
K
K
G
D
I
----
P
K
L
K
G
T
F
Y
E
S
K
A
F
I
K
R
D
I
T
Y
L
L
T
E
E
E
K
E
N
V
K
I
-
N
T
T
L
-
L
-
K
PK
K
A
W
E
K
D
A
S
K
I
P
D
---
I
V
G
H
M
E
I
M
F
N
D
A
T
I
A
K
V
P
I
Y
Y
E
N
------------------------