@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 : Lmo0084: (2016-03-12 )
MKKRQLGNAGLVTSELGFGCMGLNYHRGPAKDRNEMIEVVRTAMDAGITMFDTAEVYGPYTNEELVGEALVGKRNHVQIATKGGFKINGLNNEVDSRPESIKAAVEGSLKRLKTDYIDLYYIHRIDPSIPIEEVAGTIQNLKQEGKILHWGLSEASAKTIRRAHKVEPLAAVESEYSIWWREAEKEVFPVLEELGIGLVAYSPLGRGYLTGKLDINADFNANDNRGGLPRFQKEAMEANQVLLDFMKEIADEQNVTTAQLALAWILDQKPWIVPIPGTTRPSRIEENIASTEIHFDDGARQKIADALSQIEIVGDRYSAAENKRIGK
Atome Classification :
(27 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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKKRQLGNAG
L
V
TS--ELG
F
G
C
MGLNY-H--R-GPAK
D
R
N
E
M
I
E
V
V
R
T
A
M
DAG
I
T
M
F
DTAEVYGP-------Y--T
N
E
------
E
----
L
V
G
E
A
L
--VG----KRN---
H
---
V
Q
I
A
TKG
G
--
F
K
I-NGL----NN-E-----V--DSR---
P
E
S
I
K
A
A
V
E
G
S
L
K
R
L
K
TD
Y
I
D
L
Y
Y
I
HRIDPSI-----------------
P
I
E
E
V
A
G
T
I
Q
N
L
K
QEG
K
I
L
H
WGLSE------
A
S
A
----
K
T
I
R
R
A
HKV------E-----
P
L
A
A
VES
E
Y
S
I
W
W
R
E
A
E
-
K
E
-
V
F
P
V
L
E
E
LGI
G
L
V
A
YSPLGR
G
Y
L
T
G
K
L
-
D
I
N
A
DFNANDNR---------G----GL
P
R
F
Q
K
E
A
M
E
A
N
Q
V
-
L
L
-
D
F
M
K
E
I
AD-EQ--N---
V
T
T
A
Q
L
A
L
A
W
ILDQK
P
-----
W
I
V
PIPGTT
R
P
S
R
I
E
ENIAS
T
E
-
I
--
H
FDDG
A
R
Q
K
I
A
D
A
L
S
Q
I
E
IVGDRYSAAENKRIGK
106
HHSearch
90.78
34%
-81
- C6 -
1PYF
3
IOLS_BACSU
A:
[2-310]
-
K
K
A
K
L
G
K
S
D
L
Q
V
F
--
P
I
G
L
G
T
N
A
V
G
G
-
H
NL
Y
-
P
N
-
L
N
E
E
T
G
K
E
L
V
R
E
A
I
R
N
G
V
T
M
L
D
T
A
Y
I
Y
G
I
-------
G
--
R
S
E
------
E
----
L
I
G
E
V
L
--
R
E
F
---
N
R
E
---
D
---
V
V
I
A
T
K
A
A
--
H
R
K
-
Q
G
N
----
D
F
-
V
-----
F
--
D
N
S
---
P
D
F
L
K
K
S
V
D
E
S
L
K
R
L
N
T
D
Y
I
D
L
F
Y
I
H
F
P
D
E
H
T
-----------------
P
K
D
E
A
V
N
A
L
N
E
M
K
K
A
G
K
I
R
S
I
G
V
S
N
------
F
S
L
----
E
Q
L
K
E
A
N
K
D
------
G
-----
L
V
D
V
L
Q
G
E
Y
N
L
L
N
R
E
A
E
-
K
T
-
F
F
P
Y
T
K
E
H
N
I
S
F
I
P
Y
F
P
L
V
S
G
L
L
A
G
K
Y
-
T
E
D
T
T
F
P
E
G
D
L
R
---------
N
----
E
Q
E
H
F
K
G
E
R
F
K
E
N
I
R
-
K
V
-
N
K
L
A
P
I
A
E
-
K
H
--
N
---
V
D
I
P
H
I
V
L
A
W
Y
L
A
R
P
E
-----
I
D
I
L
I
P
G
A
K
R
A
D
Q
L
I
D
N
I
K
T
A
D
-
V
--
T
L
S
Q
E
D
I
S
F
I
D
K
L
F
A
-------------------
1
PsiBlast_PDB
89.08
41%
-89
- C6 -
3UYI
-
PERR_RAUSE
A:
[1-317]
M
P
R
V
K
L
G
T
Q
G
L
E
V
S
--
K
L
G
F
G
C
M
G
L
S
G
---------
L
P
E
E
Q
G
I
A
V
I
K
E
A
F
N
C
G
I
T
F
F
D
T
S
D
I
Y
G
E
-------
N
G-
S
N
E
------
E
----
L
L
G
K
A
L
--
K
Q
L
---
P
R
E
---
K
---
I
Q
V
G
T
K
F
G
--
I
H
E
-
I
G
F
----
S
G
V
K
-----
A
--
K
G
T
---
P
D
Y
V
R
S
C
C
E
A
S
L
K
R
L
D
V
D
Y
I
D
L
F
Y
I
H
R
I
D
T
T
V
-----------------
P
I
E
I
T
M
G
E
L
-
K
L
V
E
E
G
K
I
K
Y
V
G
L
S
E
------
A
S
P
----
D
T
I
R
R
A
H
A
V
------
H
-----
P
V
T
A
L
Q
I
E
Y
S
L
W
T
R
D
I
E
-
D
E
-
I
V
P
L
C
R
Q
L
G
I
G
I
V
P
Y
S
P
I
G
R
G
L
F
A
G
K
A
--
I
K
E
S
--------------------------------
K
N
K
Q
-
I
Y
-
Y
R
I
E
A
L
S
Q
-
K
H
--
G
---
C
T
P
V
Q
L
A
L
A
W
V
L
H
Q
G
E
-----
D
V
V
P
I
P
G
T
T
K
I
K
N
L
H
N
N
V
G
A
L
K
-
V
--
K
L
T
K
E
D
L
K
E
I
S
D
A
V
P
L
D
E
V
A
G
E
------------
105
HHSearch
88.04
32%
-77
- C6 -
1PZ1
1
GS69_BACSU
A:
[1-314]
M
E
Y
T
S
I
A
D
T
G
I
E
A
S
--
R
I
G
L
G
T
W
A
I
G
G
T
M
--
W
-
G
G
-
T
D
E
K
T
S
I
E
T
I
R
A
A
L
D
Q
G
I
T
L
I
D
T
A
P
A
Y
G
F
-------
G
--
Q
S
E
------
E
----
I
V
G
K
A
I
--
K
E
Y
M--
K
R
D
---
Q
---
V
I
L
A
T
K
T
A
--
L
D
W
-
K
N
N
----
Q
L
-
F
-----
R
--
H
A
N
---
R
A
R
I
V
E
E
V
E
N
S
L
K
R
L
Q
T
D
Y
I
D
L
Y
Q
V
H
W
P
D
P
L
V
-----------------
P
I
E
E
T
A
E
V
M
K
E
L
Y
D
A
G
K
I
R
A
I
G
V
S
N
------
F
S
I
----
E
Q
M
D
T
F
R
A
V
------
A
-----
P
L
H
T
I
Q
P
P
Y
N
L
F
E
R
E
M
E
-
E
S
-
V
L
P
Y
A
K
D
N
K
I
T
T
L
L
Y
G
S
L
C
R
G
L
L
T
G
K
M
-
T
E
E
Y
T
F
E
G
D
D
L
R
---------
N
----
H
D
P
K
F
Q
K
P
R
F
K
E
Y
L
S
-
A
V
-
N
Q
L
D
K
L
A
K
T
R
Y
--
G
---
K
S
V
I
H
L
A
V
R
W
I
L
D
Q
P
G
-----
A
D
I
A
L
W
G
A
R
K
P
G
Q
L
E
A
L
S
E
I
T
G
-
W
--
T
L
N
S
E
D
Q
K
D
I
N
T
I
L
E
N
T
I
----------------
2
PsiBlast_PDB
87.70
34%
-78
- C6 -
1PYF
2
IOLS_BACSU
A:
[2-295]
-
K
K
A
K
L
G
K
S
D
L
Q
V
F
--
P
I
G
L
G
T
N
A
V
G
G
-
H
--
N
L
Y
P
N
L
N
E
E
T
G
K
E
L
V
R
E
A
I
R
N
G
V
T
M
L
D
T
A
Y
I
Y
G
I
-------
G
--
R
S
E
------
E
----
L
I
G
E
V
L
--
R
E
F
---
N
R
E
---
D
---
V
V
I
A
T
K
A
A
--
H
R
K
-
Q
G
N
----
D
F
-
V
-----
F
--
D
N
S
---
P
D
F
L
K
K
S
V
D
E
S
L
K
R
L
N
T
D
Y
I
D
L
F
Y
I
H
F
P
D
E
H
T
-----------------
P
K
D
E
A
V
N
A
L
N
E
M
K
K
A
G
K
I
R
S
I
G
V
S
N
------
F
S
L
----
E
Q
L
K
E
A
N
K
D
------
G
-----
L
V
D
V
L
Q
G
E
Y
N
L
L
N
R
E
A
E
-
K
T
-
F
F
P
Y
T
K
E
H
N
I
S
F
I
P
Y
F
P
L
V
S
G
L
L
A
G
K
Y
-
T
E
D
T
T
F
P
E
G
D
L
R
---------
N
----
E
Q
E
H
F
K
G
E
R
F
K
E
N
I
R
-
K
V
-
N
K
L
A
P
I
A
E
-
K
H
--
N
---
V
D
I
P
H
I
V
L
A
W
Y
L
A
R
P
E
-----
I
D
I
L
I
P
G
A
K
R
A
D
Q
L
I
D
N
I
K
T
A
D
-
V
------------------------------------
5
PsiBlast_PDB
85.13
34%
-85
- C6 -
1PZ1
1
GS69_BACSU
A:
[6-288]
-----
I
A
D
T
G
I
E
A
S
--
R
I
G
L
G
T
W
A
I
G
G
-
T
--
M
-
W
G
G
T
D
E
K
T
S
I
E
T
I
R
A
A
L
D
Q
G
I
T
L
I
D
T
A
P
A
Y
G
F
-------
G
--
Q
S
E
------
E
----
I
V
G
K
A
I
K
E
Y
M
----
K
R
D
---
Q
---
V
I
L
A
T
K
T
A
----
L
-
D
W
K
----
N
N
-
Q
-----
L
F
R
H
A
N
---
R
A
R
I
V
E
E
V
E
N
S
L
K
R
L
Q
T
D
Y
I
D
L
Y
Q
V
H
W
P
D
P
L
V
-----------------
P
I
E
E
T
A
E
V
M
K
E
L
Y
D
A
G
K
I
R
A
I
G
V
S
N
------
F
S
I
----
E
Q
M
D
T
F
R
A
V
------
A
-----
P
L
H
T
I
Q
P
P
Y
N
L
F
E
R
E
M
E
-
E
S
-
V
L
P
Y
A
K
D
N
K
I
T
T
L
L
Y
G
S
L
C
R
G
L
L
T
G
K
M
-
T
E
E
Y
T
F
E
G
D
D
L
R
---------
N
----
H
D
P
K
F
Q
K
P
R
F
K
E
Y
L
S
-
A
V
-
N
Q
L
D
K
L
A
K
-
T
R
Y-
G
---
K
S
V
I
H
L
A
V
R
W
I
L
D
Q
P
G
-----
A
D
I
A
L
W
G
A
R
K
P
G
Q
L
E
---------------------------------------------
3
PsiBlast_PDB
84.88
34%
-77
- C6 -
1PZ0
2
IOLS_BACSU
A:
[2-295]
-
K
K
A
K
L
G
K
S
D
L
Q
V
F
--
P
I
G
L
G
T
N
A
V
G
G
-
H
--
N
L
Y
P
N
L
N
E
E
T
G
K
E
L
V
R
E
A
I
R
N
G
V
T
M
L
D
T
A
Y
I
Y
G
I
-------
G
--
R
S
E
------
E
----
L
I
G
E
V
L
--
R
E
F
---
N
R
E
---
D
---
V
V
I
A
T
K
A
A
--
H
R
K
-
Q
G
N
----
D
F
-
V
-----
F
--
D
N
S
---
P
D
F
L
K
K
S
V
D
E
S
L
K
R
L
N
T
D
Y
I
D
L
F
Y
I
H
F
P
D
E
H
T
-----------------
P
K
D
E
A
V
N
A
L
N
E
M
K
K
A
G
K
I
R
S
I
G
V
S
N
------
F
S
L
----
E
Q
L
K
E
A
N
K
D
------
G
-----
L
V
D
V
L
Q
G
E
Y
N
L
L
N
R
E
A
E
-
K
T
-
F
F
P
Y
T
K
E
H
N
I
S
F
I
P
Y
F
P
L
V
S
G
L
L
A
G
K
Y
-
T
E
D
T
T
F
P
E
G
D
L
R
---------
N
----
E
Q
E
H
F
K
G
E
R
F
K
E
N
I
R
-
K
V
-
N
K
L
A
P
I
A
E
-
K
H
--
N
---
V
D
I
P
H
I
V
L
A
W
Y
L
A
R
P
E
-----
I
D
I
L
I
P
G
A
K
R
A
D
Q
L
I
D
N
I
K
T
A
D
-
V
------------------------------------
111
HHSearch
82.69
29%
-80
- C6 -
3N6Q
1
GPR_ECOLI
A:
[13-336]
M
Q
Y
R
Y
C
G
K
S
G
L
R
L
P
--
A
L
S
L
G
L
W
H
N
F
G
-------
H
V
N
A
L
E
S
Q
R
A
I
L
R
K
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
PP-----
G
--
S
A
E
------
E
----
N
F
G
R
L
L
--
R
E
DFAA
Y
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
D
M
-
W
P
G
----
P
Y
-
G
-----
S
--
G
G
S
---
R
K
Y
L
L
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
S
H
R
V
D
E
N
T
-----------------
P
M
E
E
T
A
S
A
L
A
H
A
V
Q
S
G
K
A
L
Y
V
G
I
S
S
------
Y
S
P
----
E
R
T
Q
K
M
V
E
L
L
R
E
W
K-
I
-----
P
L
L
I
H
Q
P
S
Y
N
L
L
N
R
W
V
D
K
S
G
-
L
L
D
T
L
Q
N
N
G
V
G
C
I
A
F
T
P
L
A
Q
G
L
L
T
G
K
Y
-
L
---------------------------------
L
T
E
A
N
L
N
-
S
L
-
R
L
L
N
E
M
A
Q
-
Q
R
--
G
---
Q
S
M
A
Q
M
A
L
S
W
L
L
K
D
D
R
-----
V
T
S
V
L
I
G
A
S
R
A
E
Q
L
E
E
N
V
Q
A
L
N
N
L
--
T
F
S
T
K
E
L
A
Q
I
D
Q
H
I
A
D
G
E
----------------
112
HHSearch
81.07
26%
-77
- C6 -
3ERP
17
?
A:
[34-351]
M
E
Y
R
R
C
G
R
S
G
V
K
L
P
--
A
I
S
L
G
L
W
H
N
F
G
-------
D
T
T
R
V
E
N
S
R
A
L
L
Q
R
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
PP-----
G
--
S
A
E
------
C
----
N
F
G
R
I
L
--
Q
E
DFLP
W
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
T
M
-
W
D
G
----
P
Y
-
G
-----
D
--
W
G
S
---
R
K
Y
L
I
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
H
H
R
P
D
P
E
T
-----------------
P
L
K
E
T
M
K
A
L
D
H
L
V
R
H
G
K
A
L
Y
V
G
I
S
N
------
Y
P
A
----
D
L
A
R
Q
A
I
D
I
L
E
D
L
G-
T
-----
P
C
L
I
H
Q
P
K
Y
S
L
F
E
R
W
V
E
-
D
G
-
L
L
A
L
L
Q
E
K
G
V
G
S
I
A
F
S
P
L
A
G
G
Q
L
T
D
R
Y
-
L
N
--------------------------------
I
T
A
D
K
L
E
-
K
V
-
R
R
L
N
E
L
A
A
-
R
R
--
G
---
Q
K
L
S
Q
M
A
L
A
W
V
L
R
N
D
N
-----
V
T
S
V
L
I
G
A
S
K
P
S
Q
I
E
D
A
V
G
M
L
A
N
R
--
R
F
S
A
A
E
C
A
E
I
D
A
I
L
E
G
------------------
12
PsiBlast_PDB
81.06
27%
-81
- C6 -
3ERP
15
?
A:
[34-330]
M
E
Y
R
R
C
G
R
S
G
V
K
L
P
--
A
I
S
---
L
G
L
W
H
-
N
--
F
-
G
D
T
T
R
V
E
N
S
R
A
L
L
Q
R
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
-------
P
--
P
G
S
A
E
C
N
F
G
R
----
I
L
Q
E
D
F
--
L
P
----
W
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
T
M
W
D
G
P
----
Y
G
-
D
-----
W
--
G
S
R
---
K
Y
L
I
-
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
H
H
R
P
D
P
E
T
-----------------
P
L
K
E
T
M
K
A
L
D
H
L
V
R
H
G
K
A
L
Y
V
G
I
S
N
------
Y
P
A
----
D
L
A
R
Q
A
I
D
I
L
E
D
L
G-
T
-----
P
C
L
I
H
Q
P
K
Y
S
L
F
E
R
W
V
E
-
D
G
-
L
L
A
L
L
Q
E
K
G
V
G
S
I
A
F
S
P
L
A
G
G
Q
L
T
D
R
Y
--
L
N
--------------------------------
I
T
A
D
K
L
E
K
V
-
R
R
L
N
E
L
A
A
-
R
R
--
G
---
Q
K
L
S
Q
M
A
L
A
W
V
L
R
N
D
N
-----
V
T
S
V
L
I
G
A
S
K
P
S
Q
I
E
D
A
V
G
-----------------------------------------
108
HHSearch
80.68
26%
-68
- C6 -
1LQA
1
TAS_ECOLI
A:
[1-342]
M
Q
Y
H
R
I
P
H
S
S
L
E
V
S
--
T
L
G
L
G
T
M
T
F
G
E
-------
Q
-
N
S
E
A
D
A
H
A
Q
L
D
Y
A
V
A
Q
G
I
N
L
I
D
V
A
E
M
Y
P
V
PPRPETQ
G
--
L
T
E
------
T
----
Y
V
G
N
W
L
--
A
K
H
G--
S
R
E
---
K
---
L
I
I
A
S
K
V
S
--
G
P
S
-
R
N
N
DKGI
R
P
-
D
-----
Q
--
A
L
D
---
R
K
N
I
R
E
A
L
H
D
S
L
K
R
L
Q
T
D
Y
L
D
L
Y
Q
V
H
W
P
Q
R
P
T
NCFGKL
G
Y
S
W
T
DSAPAV
S
L
L
D
T
L
D
A
L
A
E
Y
Q
R
A
G
K
I
R
Y
I
G
V
S
N
------
E
T
A
----
F
G
V
M
R
Y
L
H
L
A
D
K
H
DL
P
-----
R
I
V
T
I
Q
N
P
Y
S
L
L
N
R
S
F
E
-
V
G
-
L
A
E
V
S
Q
Y
E
G
V
E
L
L
A
Y
S
C
L
G
F
G
T
L
T
G
K
Y
-
L
N
G
A
K
P
A
G
--
A
R
---------
N
T
---
L
F
S
R
F
T
R
Y
S
G
E
Q
T
Q
K
-
A
V
-
A
A
Y
V
D
I
A
R
-
R
H
--
G
---
L
D
P
A
Q
M
A
L
A
F
V
R
R
Q
P
F
-----
V
A
S
T
L
L
G
A
T
T
M
D
Q
L
K
T
N
I
E
S
L
H
-
L
--
E
L
S
E
D
V
L
A
E
I
E
A
V
H
Q
V
Y
T
----------------
10
PsiBlast_PDB
80.62
30%
-84
- C6 -
3N6Q
1
GPR_ECOLI
A:
[13-312]
M
Q
Y
R
Y
C
G
K
S
G
L
R
L
P
--
A
L
---
S
L
G
L
W
H
-
N
--
F
-
G
H
V
N
A
L
E
S
Q
R
A
I
L
R
K
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
-------
P
PG
S
A
E
------
E
N
F
G
R
L
L
R
E
D
F
--
A
A
----
Y
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
D
M
W
P
G
P
----
Y
G
-
S
-----
G
--
G
S
R
----
K
Y
L
L
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
S
H
R
V
D
E
N
T
-----------------
P
M
E
E
T
A
S
A
L
A
H
A
V
Q
S
G
K
A
L
Y
V
G
I
S
S
------
Y
S
P
----
E
R
T
Q
K
M
V
E
L
------
L
R
E
W
KI
P
L
L
I
H
Q
P
S
Y
N
L
L
N
R
W
V
D
-
K
S
G
L
L
D
T
L
Q
N
N
G
V
G
C
I
A
F
T
P
L
A
Q
G
L
L
T
G
K
Y
L----------------------------------
L
T
E
A
N
L
N
-
S
L
-
R
L
L
N
E
M
A
Q
-
Q
R
--
G
---
Q
S
M
A
Q
M
A
L
S
W
L
L
K
D
D
R
-----
V
T
S
V
L
I
G
A
S
R
A
E
Q
L
E
E
N
V
------------------------------------------
9
PsiBlast_PDB
78.79
30%
-76
- C6 -
4AUB
2
GPR_ECOLI
A:
[33-332]
M
Q
Y
R
Y
C
G
K
S
G
L
R
L
P
--
A
L
---
S
L
G
L
W
H
-
N
--
F
-
G
H
V
N
A
L
E
S
Q
R
A
I
L
R
K
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
-------
P
PG
S
A
E
------
E
N
F
G
R
L
L
R
E
D
F
--
A
A
----
Y
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
D
M
W
P
G
P
----
Y
G
-
S
-----
G
--
G
S
R
----
K
Y
L
L
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
S
H
R
V
D
E
N
T
-----------------
P
M
E
E
T
A
S
A
L
A
H
A
V
Q
S
G
K
A
L
Y
V
G
I
S
S
------
Y
S
P
----
E
R
T
Q
K
M
V
E
L
------
L
R
E
W
KI
P
L
L
I
H
Q
P
S
Y
N
L
L
N
R
W
V
D
-
K
S
G
L
L
D
T
L
Q
N
N
G
V
G
C
I
A
F
T
P
L
A
Q
G
L
L
T
G
K
------------------------------------
L
T
E
A
N
L
N
-
S
L
-
R
L
L
N
E
M
A
Q
-
Q
R
--
G
---
Q
S
M
A
Q
M
A
L
S
W
L
L
K
D
D
R
-----
V
T
S
V
L
I
G
A
S
R
A
E
Q
L
E
E
N
V
------------------------------------------
11
PsiBlast_PDB
77.89
30%
-79
- C6 -
4AST
-
GPR_ECOLI
A:
[13-312]
M
Q
Y
R
Y
C
G
K
S
G
L
R
L
P
--
A
L
---
S
L
G
L
W
H
-
N
--
F
-
G
H
V
N
A
L
E
S
Q
R
A
I
L
R
K
A
F
D
L
G
I
T
H
F
D
L
A
N
N
Y
G
P
-------
P
PG
S
A
E
------
E
N
F
G
R
L
L
R
E
D
F
--
A
A
----
Y
R
D
---
E
---
L
I
I
S
T
K
A
G
--
Y
D
M
W
P
G
P
----
Y
G
-
S
-----
G
--
G
S
R
----
K
Y
L
L
A
S
L
D
Q
S
L
K
R
M
G
L
E
Y
V
D
I
F
Y
S
H
R
V
D
E
N
T
-----------------
P
M
E
E
T
A
S
A
L
A
H
A
V
Q
S
G
K
A
L
Y
V
G
I
S
S
------
Y
S
P
----
E
R
T
Q
K
M
V
E
L
------
L
R
E
W
KI
P
L
L
I
H
Q
P
S
Y
N
L
L
N
R
W
V
D
-
K
S
G
L
L
D
T
L
Q
N
N
G
V
G
C
I
A
F
T
P
L
A
Q
G
L
L
T
-----------------------------------------
A
N
L
N
-
S
L
-
R
L
L
N
E
M
A
Q
-
Q
R
--
G
---
Q
S
M
A
Q
M
A
L
S
W
L
L
K
D
D
R
-----
V
T
S
V
L
I
G
A
S
R
A
E
Q
L
E
E
N
V
------------------------------------------
4
PsiBlast_PDB
77.12
34%
-86
- C6 -
3N2T
-
?
A:
[20-290]
-----------------
L
G
T
W
A
I
G
G
W
M
-
W
--
G
-
G
P
--
D
D
D
N
G
V
R
T
I
H
A
A
L
D
E
G
I
N
L
I
D
T
A
P
V
Y
G
F
-------
G
--
H
S
E
------
E
----
I
V
G
R
A
L
--
A
E
----
K
P
N
---
K
---
A
H
V
A
T
K
L
G
--
L
H
W
-
V
G
E
----
D
E
-
K
N
M
K
V
F
R
--
D
S
R
---
P
A
R
I
R
K
E
V
E
D
S
L
R
R
L
R
V
E
T
I
D
L
E
Q
I
H
W
P
D
D
K
T
-----------------
P
I
D
E
S
A
R
E
L
Q
K
L
H
Q
D
G
K
I
R
A
L
G
V
S
N
------
F
S
P
----
E
Q
M
D
I
F
R
E
V
------
A
-----
P
L
A
T
I
Q
P
P
L
N
L
F
E
R
T
I
E
-
K
D
-
I
L
P
Y
A
E
K
H
N
A
V
V
L
A
Y
G
A
L
C
R
G
L
L
T
G
K
M
-
N
R
D
T
T
F
P
K
D
D
L
R
---------
S
----
N
D
P
K
F
Q
K
P
N
F
E
K
Y
L
A
-
A
M
-
D
E
F
E
K
L
A
E
-
K
R
--
G
---
K
S
V
M
A
F
A
V
R
W
V
L
D
Q
G
P
------
V
I
A
L
W
G
A
R
K
P
G
Q
V
----------------------------------------------
110
HHSearch
76.21
33%
-84
- C6 -
1YNP
13
?
A:
[21-311]
M
K
K
R
Q
L
G
T
S
D
L
H
V
S
--
E
L
G
F
G
C
M
S
L
G
----------
T
D
E
T
K
A
R
R
I
M
D
E
V
L
E
L
G
I
N
Y
L
D
T
A
D
L
Y
N
Q
-------
G
--
L
N
E
------
Q
----
F
V
G
K
A
L
--
K
G
----
R
R
Q
---
D
---
I
I
L
A
T
K
V
----------------------------
S
---
K
A
Y
I
K
E
A
V
K
D
S
L
R
R
L
Q
T
D
Y
I
D
L
Y
Q
L
H
G
G
T
I
D
D
-----------------
P
I
D
E
T
I
E
A
F
E
E
L
K
Q
E
G
V
I
R
Y
Y
G
I
S
S
------
I
R
P
----
N
V
I
K
E
Y
L
K
R
------
S
-----
N
I
V
S
I
M
M
Q
Y
S
I
L
D
R
R
P
E
--
E
-
W
F
P
L
I
Q
E
H
G
V
S
V
V
V
R
G
P
V
A
R
G
L
L
S
R
R
P
-
L
P
E
G
E
G
Y
-------------------------------
L
N
Y
-
R
Y
-
D
E
L
K
L
L
R
E
-
S
L
PT
D
---
R
P
L
H
E
L
A
L
Q
Y
C
L
A
H
D
V
-----
V
A
T
V
A
A
G
A
S
S
I
D
Q
V
K
A
N
V
Q
A
V
E
A
T
--
P
L
T
A
E
E
R
Q
H
I
Q
K
L
A
K
A
A
V
----------------
113
HHSearch
74.91
26%
-68
- C6 -
2BP1
2
ARK72_HUMAN
A:
[38-359]
--------------RV
A
S
V
L
G
T
M
E
M
G
R
-
R
-------
M
D
A
P
A
S
A
A
A
V
R
A
F
L
E
R
G
H
T
E
L
D
T
A
F
M
Y
S
D
-------
G
--
Q
S
E
------
T
----
I
L
G
G
L
G
--
L
G
LGG-
G
D
C
---
R
---
V
K
I
A
T
K
A
N
--
P
W
D
-----------
G
-----
K
--
S
L
K
---
P
D
S
V
R
S
Q
L
E
T
S
L
K
R
L
Q
C
P
Q
V
D
L
F
Y
L
H
A
P
D
H
G
T
-----------------
P
V
E
E
T
L
H
A
C
Q
R
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
------
Y
A
S
----
W
E
V
A
E
I
C
T
L
C
K
S
N
GW
I
-----
L
P
T
V
Y
Q
G
M
Y
N
A
T
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
Y
N
P
L
A
G
G
L
L
T
G
K
Y
-
K
Y
E
D
K
D
G
K
Q
P
V
G
RFFGNSW
A
E
T
----
Y
R
N
R
F
W
K
---
E
H
H
F
E
-
A
I
A
L
V
E
K
A
L
Q
A
-
A
Y
--
G
ASA
P
S
V
T
S
A
A
L
R
W
M
Y
H
H
S
Q
LQGAH
G
D
A
V
I
L
G
M
S
S
L
E
Q
L
E
Q
N
L
A
A
T
E
E
G
--
P
L
E
P
A
V
V
D
A
F
N
Q
A
W
H
L
V
A
H
E
C
P
N
Y
F
---------
109
HHSearch
73.88
26%
-63
- C6 -
3EAU
3
KCAB2_RAT
A:
[3-324]
Q
F
Y
R
N
L
G
K
S
G
L
R
V
S
--
C
L
G
L
G
T
W
V
T
F
G
-------
G
Q
I
T
D
E
M
A
E
H
L
M
T
L
A
Y
D
N
G
I
N
L
F
D
T
A
E
V
Y
A
A
-------
G
--
K
A
E
------
V
----
V
L
G
N
I
I
--
K
K
K
GW-
R
R
S
---
S
---
L
V
I
T
T
K
I
F
--
W
G
G
-
K
A
-----
E
T
-
E
-----
R
--
G
L
S
---
R
K
H
I
I
E
G
L
K
A
S
L
E
R
L
Q
L
E
Y
V
D
V
V
F
A
N
R
P
D
P
N
T
-----------------
P
M
E
E
T
V
R
A
M
T
H
V
I
N
Q
G
M
A
M
Y
W
G
T
S
R
------
W
S
S
----
M
E
I
M
E
A
Y
S
V
A
R
Q
F
NL
I
-----
P
P
I
C
E
Q
A
E
Y
H
M
F
Q
R
E
K
V
E
V
Q
-
L
P
E
L
F
H
K
I
G
V
G
A
M
T
W
S
P
L
A
C
G
I
V
S
G
K
Y
-
D
S
G
I
P
P
Y
S
R
A
S
L
---------
K
GY
Q
W
L
K
D
K
I
L
S
E
E
G
R
R
Q
Q
A
-
K
L
-
K
E
L
Q
A
I
A
E
-
R
L
--
G
---
C
T
L
P
Q
L
A
I
A
W
C
L
R
N
E
G
-----
V
S
S
V
L
L
G
A
S
N
A
E
Q
L
M
E
N
I
G
A
I
Q
-
V
LP
K
L
S
S
S
I
V
H
E
I
D
S
I
L
G
N
K
-----------------
123
HHSearch
73.61
31%
-79
- C6 -
3O0K
4
?
A:
[26-282]
V
P
T
V
K
L
-
N
D
G
N
H
I
P
--
Q
L
G
Y
G
V
W
Q
I
------------
S
N
D
E
A
V
S
A
V
S
E
A
L
K
A
G
Y
R
H
I
D
T
A
T
I
Y
G
------------
N
E
------
E
----
G
V
G
K
A
I
--
N
G
SGI-
A
R
A
---
D
---
I
F
L
T
T
K
L
W
--
N
S
---------------------
D
Q
G
---
Y
E
S
T
L
K
A
F
D
T
S
L
K
K
L
G
T
D
Y
V
D
L
Y
L
I
H
W
P
M
P
S
K
D
----------------
L
F
M
E
T
W
R
A
F
I
K
L
K
E
E
G
R
V
K
S
I
G
V
S
N
------
F
R
T
----
A
D
L
E
R
L
I
K
E
S
G----
V
-----
T
P
V
L
N
Q
I
E
L
H
P
Q
F
Q
Q
D
---
E
-
L
R
L
F
H
G
K
H
D
I
A
T
E
A
W
S
P
L
G
Q
G
-
L
L
E
D
-----------------------------------------------
P
T
L
K
S
I
A
E
-
K
H
--
A
---
K
S
V
A
Q
I
I
L
R
W
H
I
E
T
G
-------
N
I
V
I
P
K
S
I
T
P
A
R
I
K
E
N
F
D
I
F
D
-
F
--
T
L
N
G
T
D
H
D
A
I
T
K
L
---------------------
122
HHSearch
73.14
26%
-81
- C6 -
3UP8
1
?
A:
[24-284]
--
M
H
A
V
S
S
N
G
A
N
I
P
--
A
L
G
F
G
T
F
R
M
S
------------
G
A
E
V
L
R
I
L
P
Q
A
L
K
L
G
F
R
H
V
D
T
A
Q
I
Y
G
------------
N
E
------
A
----
E
V
G
E
A
I
--
Q
K
SGI-
P
R
A
---
D
---
V
F
L
T
T
K
V
W
--
V
D
N
---------------------
Y
R
---
H
D
A
F
I
A
S
V
D
E
S
L
R
K
L
R
T
D
H
V
D
L
L
L
L
H
W
P
G
S
D
V
-----------------
P
M
A
E
R
I
G
A
L
N
E
V
R
N
A
G
K
V
R
H
I
G
I
S
N
------
F
N
T
----
T
Q
M
E
E
A
A
R
L
SD----
A
-----
P
I
A
T
N
Q
V
E
Y
H
P
Y
L
D
Q
T
---
K
-
V
L
Q
T
A
R
R
L
G
M
S
L
T
S
Y
Y
A
M
A
N
G
K
V
P
A
D
-----------------------------------------------
P
L
L
T
E
I
G
G
-
R
H
--
G
---
K
T
A
A
Q
V
A
L
R
W
L
V
Q
Q
Q
D
-----
V
-
I
V
L
S
K
T
A
T
E
A
R
L
K
E
N
F
A
I
F
D
-
F
--
A
L
T
R
E
E
M
A
A
V
R
E
L
A
R
P
N
G
----------------
24
PsiBlast_CBE
72.97
33%
-98
- C6 -
4XK2
1
?
B:
[45-287]
--------------------------------------------
I
I
D
I
C
L
D
A
G
V
N
L
F
D
T
A
D
V
Y
S
N
-------
G
--
A
S
E
------
S
----
I
L
G
A
A
L
--
K
G
----
R
R
D
---
K
---
A
I
V
S
T
K
L
S
--
L
R
I
-
G
E
G
----
P
N
-
D
-----
V
--
G
S
S
---
R
H
H
L
I
A
A
T
N
A
A
L
Q
R
L
D
T
D
Y
I
D
I
L
Q
L
H
A
F
D
A
M
T
-----------------
P
V
E
Q
V
L
G
T
L
D
D
L
V
R
A
G
K
V
R
Y
I
G
L
S
N
------
F
S
G
W
Q
L
M
K
S
L
A
A
A
D
R
L
GL----
Q
-----
R
Y
V
A
N
Q
T
Y
Y
S
L
I
G
R
D
Y
E
-
W
E
-
L
M
P
L
G
I
D
Q
G
V
G
A
I
V
W
S
P
L
G
W
G
R
L
T
G
K
-------------------------------
P
V
D
D
E
R
L
Y
R
----
V
V
-
D
A
M
D
E
V
A
L
-
E
T
--
G
---
K
T
L
P
Q
I
A
L
N
W
L
L
-
Q
R
P
-----
T
V
A
S
V
-------------------------------------------------------
21
PsiBlast_CBE
70.57
38%
-74
- C6 -
1YNQ
8
?
B:
[21-225]
M
K
K
R
Q
L
G
T
S
D
L
H
V
S
--
E
L
G
F
G
C
M
S
L
----------
G
T
D
E
T
K
A
R
R
I
M
D
E
V
L
E
L
G
I
N
Y
L
D
T
A
D
L
Y
N
Q
-------
G
--
L
N
E
------
Q
----
F
V
G
K
A
L
--
K
G
----
R
R
Q
---
D
---
I
I
L
A
T
K
V
G
NR
F
E
Q
-
G
K
E
----
G
W
-
W
-----
W
--
D
P
S
---
K
A
Y
I
K
E
A
V
K
D
S
L
R
R
L
Q
T
D
Y
I
D
L
Y
Q
L
H
G
G
T
I
D
D
-----------------
P
I
D
E
T
I
E
A
F
E
E
L
K
Q
E
G
V
I
R
Y
Y
G
I
S
S
------
I
R
P
----
N
V
I
K
E
Y
L
K
R
------
S
-----
N
I
V
S
I
M
M
Q
Y
S
I
L
D
R
R
P
E
--
E
-
W
F
P
L
I
Q
E
H
G
V
S
V
V
V
R
G
P
V
A
R
G
L
L
S
---------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
69.23
38%
-87
- C6 -
1YNP
8
?
A:
[21-225]
M
K
K
R
Q
L
G
T
S
D
L
H
V
S
--
E
L
G
F
G
C
M
S
L
----------
G
T
D
E
T
K
A
R
R
I
M
D
E
V
L
E
L
G
I
N
Y
L
D
T
A
D
L
Y
N
Q
-------
G
--
L
N
E
------
Q
----
F
V
G
K
A
L
--
K
G
----
R
R
Q
---
D
---
I
I
L
A
T
K
V
----------------------------
S
---
K
A
Y
I
K
E
A
V
K
D
S
L
R
R
L
Q
T
D
Y
I
D
L
Y
Q
L
H
G
G
T
I
D
D
-----------------
P
I
D
E
T
I
E
A
F
E
E
L
K
Q
E
G
V
I
R
Y
Y
G
I
S
S
------
I
R
P
----
N
V
I
K
E
Y
L
K
R
------
S
-----
N
I
V
S
I
M
M
Q
Y
S
I
L
D
R
R
P
E
--
E
-
W
F
P
L
I
Q
E
H
G
V
S
V
V
V
R
G
P
V
A
R
G
L
L
S
---------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
49.51
33%
-58
- C6 -
2BP1
2
ARK72_HUMAN
C:
[65-237]
-------------------------------------------------
L
E
R
G
H
T
E
L
D
T
A
F
M
Y
S
D
-------
G
--
Q
S
E
------
T
----
I
L
G
G
L
G
--
L
G
----
L
G
-C--
R
---
V
K
I
A
T
K
A
---------------
N
-
P
-----
W
--
D
G
K
SLK
P
D
S
V
R
S
Q
L
E
T
S
L
K
R
L
Q
C
P
Q
V
D
L
F
Y
L
H
A
P
D
H
G
T
-----------------
P
V
E
E
T
L
H
A
C
Q
R
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
YASWEV
A
E
I
----
C
T
L
C
K
S
N
G
W
------
I
-----
L
P
T
V
Y
Q
G
M
Y
N
A
T
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
Y
N
P
L
A
G
G
L
L
T
G
K
-------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
49.46
31%
-61
- C6 -
1GVE
5
ARK73_RAT
A:
[28-204]
---------------------------------------------
V
R
A
F
L
Q
R
G
H
T
E
I
D
T
A
F
V
Y
A
N
-------
G
--
Q
S
E
------
T
----
I
L
G
D
L
G
--
L
G
----
L
G
R
---
S
GCK
V
K
I
A
T
K
A
A
--
P
M
F
-
G
K
-----------------
T
L
K
---
P
A
D
V
R
F
Q
L
E
T
S
L
K
R
L
Q
C
P
R
V
D
L
F
Y
L
H
F
P
D
H
G
T
-----------------
P
I
E
E
T
L
Q
A
C
H
Q
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
YV
S
W
E
V
A
E
I
----
C
T
L
C
K
K
N
G
W
------
I
-----
M
P
T
V
Y
Q
G
M
Y
N
A
I
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
F
N
P
L
A
G
G
L
L
T
G
R
-------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
49.45
33%
-56
- C6 -
2BP1
2
ARK72_HUMAN
D:
[65-237]
-------------------------------------------------
L
E
R
G
H
T
E
L
D
T
A
F
M
Y
S
D
-------
G
--
Q
S
E
------
T
----
I
L
G
G
L
G
--
L
G
----
L
G
G
GDC
R
---
V
K
I
A
T
K
A
---------------
N
-
P
-----
W
--
D
G
K
SLK
P
D
S
V
R
S
Q
L
E
T
S
L
K
R
L
Q
C
P
Q
V
D
L
F
Y
L
H
A
P
D
H
G
T
-----------------
P
V
E
E
T
L
H
A
C
Q
R
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
YASWEV
A
E
I
----
C
T
L
C
K
S
N
G
W
------
I
-----
L
P
T
V
Y
Q
G
M
Y
N
A
T
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
Y
N
P
L
A
G
G
L
L
T
G
K
-------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
48.48
33%
-56
- C6 -
2BP1
2
ARK72_HUMAN
A:
[65-237]
-------------------------------------------------
L
E
R
G
H
T
E
L
D
T
A
F
M
Y
S
D
-------
G
--
Q
S
E
------
T
----
I
L
G
G
L
G
--
L
G
----
L
G
G
GDC
R
---
V
K
I
A
T
K
A
---------------
N
-
P
-----
W
--
D
G
K
SLK
P
D
S
V
R
S
Q
L
E
T
S
L
K
R
L
Q
C
P
Q
V
D
L
F
Y
L
H
A
P
D
H
G
T
-----------------
P
V
E
E
T
L
H
A
C
Q
R
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
YA
S
W
E
V
A
E
I
----
C
T
L
C
K
S
N
G
W
------
I
-----
L
P
T
V
Y
Q
G
M
Y
N
A
T
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
Y
N
P
L
A
G
G
L
L
T
G
K
-------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
48.07
33%
-58
- C6 -
2BP1
2
ARK72_HUMAN
B:
[65-237]
-------------------------------------------------
L
E
R
G
H
T
E
L
D
T
A
F
M
Y
S
D
-------
G
--
Q
S
E
------
T
----
I
L
G
G
L
G
--
L
G
----
L
G
-C--
R
---
V
K
I
A
T
K
A
---------------
N
-
P
-----
W
--
D
G
K
SLK
P
D
S
V
R
S
Q
L
E
T
S
L
K
R
L
Q
C
P
Q
V
D
L
F
Y
L
H
A
P
D
H
G
T
-----------------
P
V
E
E
T
L
H
A
C
Q
R
L
H
Q
E
G
K
F
V
E
L
G
L
S
N
YA
S
W
E
V
A
E
I
----
C
T
L
C
K
S
N
G
W
------
I
-----
L
P
T
V
Y
Q
G
M
Y
N
A
T
T
R
Q
V
E
-
T
E
-
L
F
P
C
L
R
H
F
G
L
R
F
Y
A
Y
N
P
L
A
G
G
L
L
T
G
K
-------------------------------------------------------------------------------------------------------------------------------------------------