@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 : SA0311: (2016-03-14 )
MYRYKPLLQSIHLPNGIKISNRFVLSPMTVNASTKEGYITKADLAYAARRSNSAGMQVTGAAYIEPYGKLFEYGFNIDHDACIPGLTNMASTMKQHGSLAIIQLAHAGRFSNQAILNFGKVYGPSPMTLHSPIEHVVIAMSHEKINSIIQQYRDATLRAIKAGFDGVEISIAQRLLIQTFFSTFSNRRTDHYGADSLKNRARLCLEVMRAVQEVIDKEAPDNFILGFRATPEETRGSDLGYTIDEFNQLIDWVMDVSNIQYLAIASWGRHIYQNTSRTPGDHFGRPVNQIVYEHLAGRIPLIASGGINSPESALDALQHADMVGMSSPFVTEPDFVHKLAEQRPHDINLEFSMADLEDLAIPHAAFKDIVKMMDYGEGLKKHTRDALRQLEQNYHDSSS
Atome Classification :
(20 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.......--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MY
R
Y
K
P
L
L
Q
SIHLPN
G
I
K
---
I
S
N
R
F
V
LS
P
M
T
VNAS-T-KEG
Y
I
T
K
---
A
D
L
A
-
Y
A
ARRSN-SAG
M
Q
V
T
G
A
A
Y
I
E
P
Y
G
K
L
-
F
-
E
YG-FNIDHDACIP
G
L
T
N
M
A
S
T
M
K
QHG
S
L
A
I
I
Q
L
AHAGRFS
N
Q
A
I
L
-
N
------
F
G
------------
K
VYGPS--P
M
T
LH-----------S--------P--------------
I
E
H
V
V
I
---------------AM
S
H
E
K
I
N
S
I
I
Q
Q
Y
R
D
A
T
L
R
A
I
K
AGFDG
V
E
I
S
I
A
Q
-
R
L
L
-
I
Q
T
F
F
S
T
F
SNRRTDHYG
A
D
S
L
K
N
R
A
R
L
C
L
E
V
M
R
A
V
Q
E
V
I
DKEAPD
N
F
I
L
G
F
RATPEET-R-GSDLGY-
T
I
-
D
E
----
F
N
Q
L
I
D
W
V
M
DVS------N
I
Q
Y
L
A
I
A
S
W
G
R
H
I
Y
Q
NTS-R---T----PGD--HFG
R
P
V
N
----
Q
I
V
Y
-
E
H
LAGR--I
P
L
I
ASGGIN
S
P
E
S
A
L
D
A
L
--
Q
--
H
-
A
--
D
MVGMSSPFVTE
P
D
F
V
H
K
L
A
EQRPH
D
I
N
L
E
F
SMA
D
L
E
DLAI
P
H
A
A
F
K
D
I
V
K
M
M
D
Y
G
E
G
L
K
K
H
T
R
D
A
L
R
Q
L
E
Q
NYHDSSS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
HHSearch
97.37
100%
-112
- C4 -
3L5A
3
?
A:
[21-401]
-
M
Y
R
Y
K
P
L
L
Q
S
I
H
L
P
N
G
I
K
---
I
S
N
R
F
V
L
S
P
M
T
V
N
A
S
-
T
-
K
E
G
Y
I
T
K
---
A
D
L
A
-
Y
A
A
R
R
S
N
-
S
A
G
M
Q
V
T
G
A
A
Y
I
E
P
Y
G
K
L
-
F
-
E
Y
G
-
F
N
I
D
H
D
A
C
I
P
G
L
T
N
M
A
S
T
M
K
Q
H
G
S
L
A
I
I
Q
L
A
H
A
G
R
F
S
N
Q
A
I
L
-
N
------
F
G
------------
K
V
Y
G
P
S
--
P
M
T
L
H
-----------
S
--------
P
--------------
I
E
H
V
V
I
---------------
A
M
S
H
E
K
I
N
S
I
I
Q
Q
Y
R
D
A
T
L
R
A
I
K
A
G
F
D
G
V
E
I
S
I
A
Q
-
R
L
L
-
I
Q
T
F
F
S
T
F
S
N
R
R
T
D
H
Y
G
A
D
S
L
K
N
R
A
R
L
C
L
E
V
M
R
A
V
Q
E
V
I
D
K
E
A
P
D
N
F
I
L
G
F
R
A
T
P
E
E
T
-
R
-
G
S
D
L
G
Y
-
T
I
-
D
E
----
F
N
Q
L
I
D
W
V
M
D
-
V
S-----
N
I
Q
Y
L
A
I
A
S
W
G
R
H
I
Y
Q
N
T
S
-
R
---
T
----
P
G
D
--
H
F
G
R
P
V
N
----
Q
I
V
Y
-
E
H
L
A
G
R
--
I
P
L
I
A
S
G
G
I
N
S
P
E
S
A
L
D
A
L
--
Q
--
H
-
A
--
D
M
V
G
M
S
S
P
F
V
T
E
P
D
F
V
H
K
L
A
E
Q
R
P
H
D
I
N
L
E
F
S
M
A
D
L
E
D
L
A
I
P
H
A
A
F
K
D
I
V
K
M
M
D
Y
G
E
G
L
K
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
97.09
96%
-113
- C4 -
3L5A
3
?
A:
[22-401]
--
Y
R
Y
K
P
L
L
Q
S
I
H
L
P
N
G
I
K
---
I
S
N
R
F
V
L
S
P
M
T
V
N
A
S
-
T
-
K
E
G
Y
I
T
K
---
A
D
L
A
-
Y
A
A
R
R
S
N
-
S
A
G
M
Q
V
T
G
A
A
Y
I
E
P
Y
G
K
L
-
F
-
E
Y
G
-
F
N
I
D
H
D
A
C
I
P
G
L
T
N
M
A
S
T
M
K
Q
H
G
S
L
A
I
I
Q
L
A
H
A
G
R
F
S
N
Q
A
I
L
-
N
------
F
G
------------
K
V
Y
G
P
S
--
P
M
T
L
H
-----------
S
--------
P
--------------
I
E
H
V
V
I
---------------
A
M
S
H
E
K
I
N
S
I
I
Q
Q
Y
R
D
A
T
L
R
A
I
K
A
G
F
D
G
V
E
I
S
I
A
Q
-
R
L
L
-
I
Q
T
F
F
S
T
F
S
N
R
R
T
D
H
Y
G
A
D
S
L
K
N
R
A
R
L
C
L
E
V
M
R
A
V
Q
E
V
I
D
K
E
A
P
D
N
F
I
L
G
F
R
A
T
P
E
E
T
-
R
-
G
S
D
L
G
Y
-
T
I
-
D
E
----
F
N
Q
L
I
D
W
V
M
D
V
S
------
N
I
Q
Y
L
A
I
A
S
W
G
R
H
I
Y
Q
N
T
S
-
R
---
T
----
P
G
D
--
H
F
G
R
P
V
N
----
Q
I
V
Y
-
E
H
L
A
G
R
--
I
P
L
I
A
S
G
G
I
N
S
P
E
S
A
L
D
A
L
--
Q
--
H
-
A
--
D
M
V
G
M
S
S
P
F
V
T
E
P
D
F
V
H
K
L
A
E
Q
R
P
H
D
I
N
L
E
F
S
M
A
D
L
E
D
L
A
I
P
H
A
A
F
K
D
I
V
K
M
M
D
Y
G
E
G
L
K
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
HHSearch
67.63
28%
-97
- C4 -
3HGJ
2
?
A:
[2-338]
-----
A
L
L
F
T
P
L
E
L
-
G
G
L
R
---
L
K
N
R
L
A
M
S
P
M
C
Q
Y
S
A
-
T
-
L
E
G
E
V
T
D
---
W
H
L
L
-
H
Y
P
T
R
A
L
G
G
V
G
L
I
L
V
E
A
T
A
V
E
P
L
G
R
I
-
S
-
P
Y
D
-
L
G
I
W
S
E
D
H
L
P
G
L
K
E
L
A
R
R
I
R
E
A
G
A
V
P
G
I
Q
L
A
H
A
G
R
K
A
G
T
A
R
P
-
W
EGGKPL
G
W
------------
R
V
V
G
P
S
--
P
I
P
F
D
--------------------
E
--------------
G
Y
P
V
P
E
---------------
P
L
D
E
A
G
M
E
R
I
L
Q
A
F
V
E
G
A
R
R
A
L
R
A
G
F
Q
V
I
E
L
H
M
A
H
-
G
Y
L
-
L
S
S
F
L
S
P
L
S
N
Q
R
T
D
A
Y
G
G
-
S
L
E
N
R
M
R
F
P
L
Q
V
A
Q
A
V
R
E
V
V
P
----
R
E
L
P
L
F
V
R
V
S
A
T
D
W
-
G
-
E
--
G
G
W
-
S
L
-
E
D
----
T
L
A
F
A
R
R
L
K
E
-
L
------
G
V
D
L
L
D
C
S
S
G
G
V
V
L
R
V
R
I
P
-----
L
----
A
P
G
--
F
Q
V
-
P
F
A
----
D
A
V
R
-
K
R
V
--
G
--
L
R
T
G
A
V
G
L
I
T
T
P
E
Q
A
E
T
L
L
--
Q
A
-
G
S
A
--
D
L
V
L
L
G
R
V
L
L
R
D
P
Y
F
P
L
R
A
A
K
A
L
G
V
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
65.99
27%
-93
- C4 -
3L67
8
?
A:
[13-341]
-----------------
V
T
---
L
R
N
R
I
A
I
P
P
M
S
-
Q
Y
M
-
A
-
E
D
G
M
I
N
D
W
H
H
V
H
L
A
-
G
L
A
R
--
G
-
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
R
I
-
T
-
P
G
C
-
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
I
K
A
A
G
S
V
P
G
I
Q
I
A
H
A
G
R
K
A
S
A
N
R
P
-
W
------
E
G
DDHIAADDTR
G
W
E
T
I
A
P
S
--
A
I
A
F
G
-----------
A
--------
H
--------------
L
P
K
V
P
R
---------------
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
-
G
Y
L
-
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
-
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
----
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
-
D
-
G
R
D
-
E
Q
-
T
L
-
E
E
----
S
I
E
L
A
R
-
R
F
K
A
G
------
G
L
D
L
L
S
V
S
V
--
G
F
T
I
P
D
T
N
-
I
---
P
----
W
G
P
--
A
F
M
G
P
I
A
----
E
R
V
R
-
R
E
--
A
K
--
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
--
Q
A
N
Q
-
L
--
D
L
V
S
V
G
R
A
H
L
A
D
P
H
W
A
Y
F
A
A
K
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
65.82
27%
-93
- C4 -
3L68
10
?
A:
[13-341]
-----------------
V
T
---
L
R
N
R
I
A
I
P
P
M
S
-
Q
Y
M
-
A
-
E
D
G
M
I
N
D
W
H
H
V
H
L
A
-
G
L
A
R
--
G
-
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
R
I
-
T
-
P
G
C
-
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
I
K
A
A
G
S
V
P
G
I
Q
I
A
H
A
G
R
K
A
S
A
N
R
P
-
W
------
E
G
DDHIAADDTR
G
W
E
T
I
A
P
S
--
A
I
A
F
G
-----------
A
--------
H
--------------
L
P
K
V
P
R
---------------
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
-
G
Y
L
-
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
-
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
----
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
-
D
-
G
R
D
-
E
Q
-
T
L
-
E
E
----
S
I
E
L
A
R
-
R
F
K
A
G
------
G
L
D
L
L
S
V
S
V
--
G
F
T
I
P
D
T
N
-
I
---
P
----
W
G
P
--
A
F
M
G
P
I
A
----
E
R
V
R
-
R
E
--
A
K
--
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
--
Q
A
N
Q
-
L
--
D
L
V
S
V
G
R
A
H
L
A
D
P
H
W
A
Y
F
A
A
K
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
HHSearch
65.46
27%
-100
- C4 -
1Z41
4
NAMA_BACSU
A:
[2-332]
----
A
R
K
L
F
T
P
I
T
I
-
K
D
M
T
---
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
-
K
D
G
K
L
T
P
---
F
H
M
A
-
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
P
Q
G
R
I
-
T
-
D
Q
D
-
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
V
K
E
Q
G
S
K
I
G
I
Q
L
A
H
A
G
R
K
A
E
L
E
G
-----------------------
D
I
F
A
P
S
--
A
I
A
F
D
--------------------
E
--------------
Q
S
A
T
P
V
---------------
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
-
G
Y
L
-
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
-
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
------
D
G
P
L
F
V
R
V
S
A
S
D
Y
-
T
-
D
--
K
G
L
-
D
I
-
A
D
----
H
I
G
F
A
K
W
M
K
E
-
Q
------
G
V
D
L
I
D
C
S
S
G
A
L
V
H
A
D
I
-
N
-
V
--------
F
P
G
--
Y
Q
V
-
S
F
A
----
E
K
I
R
-
E
Q
A
--
D
--
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
--
Q
N
-
G
R
A
--
D
L
I
F
I
G
R
E
L
L
R
D
P
F
F
A
R
T
A
A
K
Q
L
N
T
E
I
P
A
P
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
HHSearch
65.06
27%
-102
* C4 *
3GR7
3
NAMA_GEOKA
A:
[1-332]
---
M
N
T
M
L
F
S
P
Y
T
I
-
R
G
L
T
---
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
C
-
D
T
K
D
G
A
V
R
T
---
W
H
K
I
-
H
Y
P
A
R
A
V
G
Q
V
G
L
I
I
V
E
A
T
G
V
T
P
Q
G
R
I
-
S
-
E
R
D
-
L
G
I
W
S
D
D
H
I
A
G
L
R
E
L
V
G
L
V
K
E
H
G
A
A
I
G
I
Q
L
A
H
A
G
R
K
S
Q
V
P
-----------
G
------------
E
I
I
A
P
S
--
A
V
P
F
D
--------------------
D
--------------
S
S
P
T
P
K
---------------
E
M
T
K
A
D
I
E
E
T
V
Q
A
F
Q
N
G
A
R
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
-
G
Y
L
-
I
N
E
F
L
S
P
L
S
N
R
R
Q
D
E
Y
G
G
-
S
P
E
N
R
Y
R
F
L
G
E
V
I
D
A
V
R
E
V
W
------
D
G
P
L
F
V
R
I
S
A
S
D
Y
-
H
-
P
--
D
G
L
-
T
A
-
K
D
----
Y
V
P
Y
A
K
R
M
K
E
-
Q
------
G
V
D
L
V
D
V
S
S
G
A
I
V
P
A
R
M
---
N
---
V
----
Y
P
G
--
Y
Q
V
-
P
F
A
----
E
L
I
R
-
R
E
A
--
D
--
I
P
T
G
A
V
G
L
I
T
S
G
W
Q
A
E
E
I
L
--
Q
N
-
G
R
A
--
D
L
V
F
L
G
R
E
L
L
R
N
P
Y
W
P
Y
A
A
A
R
E
L
G
A
K
I
S
A
P
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
HHSearch
64.71
27%
-105
- C4 -
3KRU
2
?
A:
[2-325]
-----
S
I
L
H
M
P
L
K
I
-
K
D
I
T
---
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
-
S
-
T
D
G
M
P
N
D
---
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
R
I
-
T
-
D
H
D
-
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
Y
----------
E
------------
D
V
V
G
P
S
--
P
I
K
A
G
--------------------
D
--------------
R
Y
K
L
P
R
---------------
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
-
G
Y
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
-
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
----
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
-
M
-
E
--
G
G
I
-
N
I
-
D
M
----
M
V
E
Y
I
N
M
I
K
--
D
------
K
V
D
L
I
D
V
S
S
G
G
L
L
N
V
D
I
---
N
---
L
----
Y
P
G
--
Y
Q
V
-
K
Y
A
----
E
T
I
K
-
K
R
C
--
N
--
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
--
S
N
-
E
R
A
--
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
64.18
27%
-94
- C4 -
4JIC
3
?
A:
[13-346]
-----------------
I
A
---
L
A
N
R
I
V
M
A
P
L
T
R
N
R
S
-
P
---
G
A
I
P
N
---
N
L
N
A
-
T
Y
Y
E
Q
R
A
-
T
A
G
L
I
V
T
E
G
T
P
I
S
Q
Q
G
Q
G
-
Y
-
A
D
V
-
P
G
L
Y
K
R
E
A
I
E
G
W
K
K
I
T
D
G
V
H
S
A
G
G
K
I
V
A
Q
I
W
H
V
G
R
I
S
H
T
S
L
Q
P
H
------
G
G
------------
Q
P
V
A
P
S
--
A
I
T
A
K
-----------
S
------------------------
K
T
Y
I
I
NDD
G
T
G
A
F
A
E
T
S
E
P
R
A
L
T
I
D
D
I
G
L
I
L
E
D
Y
R
S
G
A
R
A
A
L
E
A
G
F
D
G
V
E
I
H
A
A
N
-
G
Y
L
-
I
E
Q
F
L
K
S
S
T
N
Q
R
T
D
D
Y
G
G
-
S
I
E
N
R
A
R
F
L
L
E
V
V
D
A
V
A
E
E
I
G
A
G
R
-----
T
G
I
R
L
S
P
-
V
T
-
P
-
A
N
D
I
-
F
-
E
A
-
D
P
-----
Q
P
L
Y
N
Y
V
V
E
Q
L
------
G
K
R
N
L
A
F
I
----
H
V
V
E
G
A
T
-
G
---
G
----
P
R
D
FK
Q
G
D
K
P
F
D
Y
A
S
F
K
A
A
Y
-
R
N
A
G
G
K
--
G
L
W
I
A
N
N
G
Y
D
R
-
Q
S
A
I
E
A
V
--
E
--
S
-
G
KV
D
A
V
A
F
G
K
A
F
I
A
N
P
D
L
V
R
R
L
K
N
D
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
HHSearch
64.15
27%
-107
- C4 -
2R14
2
?
A:
[8-347]
----
N
P
G
L
F
T
P
L
Q
L
-
G
S
L
S
---
L
P
N
R
V
I
M
A
P
L
T
R
S
R
T
---
P
D
S
V
P
G
R
---
L
Q
Q
I
-
Y
Y
G
Q
R
A
S
--
A
G
L
I
I
S
E
A
T
N
I
S
P
T
A
R
G
-
Y
-
V
Y
T
-
P
G
I
W
T
D
A
Q
E
A
G
W
K
G
V
V
E
A
V
H
A
K
G
G
R
I
A
L
Q
L
W
H
V
G
R
V
S
H
E
L
V
Q
P
D
------
G
Q
------------
Q
P
V
A
P
S
--
A
L
K
A
E
-----------
G
--------
A
E
C
F
V
E
F
EDGTA
G
L
H
P
T
S
T
P
R
---------------
A
L
E
T
D
E
I
P
G
I
V
E
D
Y
R
Q
A
A
Q
R
A
K
R
A
G
F
D
M
V
E
V
H
A
A
N
-
A
C
L
-
P
N
Q
F
L
A
T
G
T
N
R
R
T
D
Q
Y
G
G
-
S
I
E
N
R
A
R
F
P
L
E
V
V
D
A
V
A
E
V
F
G
-----
P
E
R
V
G
I
R
L
T
P
F
L
E
-
L
----
F
G
L
-
T
D
-
D
E
P
E
A
M
A
F
Y
L
A
G
E
L
D
R
-
R
------
G
L
A
Y
L
H
F
N
E
P
D
---------
T
-------------
Y
P
-
E
G
F
R
----
E
Q
M
R
-
Q
R
F
--
K
--
G
G
L
I
Y
C
G
N
Y
-
D
A
G
R
A
Q
A
R
L
--
D
D
-
N
T
A
--
D
A
V
A
F
G
R
P
F
I
A
N
P
D
L
P
E
R
F
R
L
G
A
A
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
63.74
27%
-94
- C4 -
4JIQ
4
?
A:
[13-346]
-----------------
I
A
---
L
A
N
R
I
V
M
A
P
L
T
R
N
R
S
-
P
---
G
A
I
P
N
---
N
L
N
A
-
T
Y
Y
E
Q
R
A
-
T
A
G
L
I
V
T
E
G
T
P
I
S
Q
Q
G
Q
G
-
Y
-
A
D
V
-
P
G
L
Y
K
R
E
A
I
E
G
W
K
K
I
T
D
G
V
H
S
A
G
G
K
I
V
A
Q
I
W
H
V
G
R
I
S
H
T
S
L
Q
P
H
------
G
G
------------
Q
P
V
A
P
S
--
A
I
T
A
K
-----------
S
------------------------
K
T
Y
I
I
N
DDGT
G
A
F
A
E
T
S
E
P
R
A
L
T
I
D
D
I
G
L
I
L
E
D
Y
R
S
G
A
R
A
A
L
E
A
G
F
D
G
V
E
I
H
A
A
N
-
G
Y
L
-
I
E
Q
F
L
K
S
S
T
N
Q
R
T
D
D
Y
G
G
-
S
I
E
N
R
A
R
F
L
L
E
V
V
D
A
V
A
E
E
I
G
A
G
R
-----
T
G
I
R
L
S
P
-
V
T
-
P
-
A
N
D
I
-
F
-
E
A
-
D
P
-----
Q
P
L
Y
N
Y
V
V
E
Q
L
------
G
K
R
N
L
A
F
I
----
H
V
V
E
G
A
T
-
G
---
G
----
P
R
D
FK
Q
G
D
K
P
F
D
Y
A
S
F
K
A
A
Y
-
R
N
A
G
G
K
--
G
L
W
I
A
N
N
G
Y
D
R
-
Q
S
A
I
E
A
V
--
E
--
S
-
G
KV
D
A
V
A
F
G
K
A
F
I
A
N
P
D
L
V
R
R
L
K
N
D
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
63.47
27%
-93
- C4 -
4JIP
2
?
A:
[13-346]
-----------------
I
A
---
L
A
N
R
I
V
M
A
P
L
T
R
N
R
S
-
P
---
G
A
I
P
N
---
N
L
N
A
-
T
Y
Y
E
Q
R
A
-
T
A
G
L
I
V
T
E
G
T
P
I
S
Q
Q
G
Q
G
-
Y
-
A
D
V
-
P
G
L
Y
K
R
E
A
I
E
G
W
K
K
I
T
D
G
V
H
S
A
G
G
K
I
V
A
Q
I
W
H
V
G
R
I
S
H
T
S
L
Q
P
H
------
G
G
------------
Q
P
V
A
P
S
--
A
I
T
A
K
-----------
S
------------------------
K
T
Y
I
I
N
DDG
T
G
A
F
A
E
T
S
E
P
R
A
L
T
I
D
D
I
G
L
I
L
E
D
Y
R
S
G
A
R
A
A
L
E
A
G
F
D
G
V
E
I
H
A
A
N
-
G
Y
L
-
I
E
Q
F
L
K
S
S
T
N
Q
R
T
D
D
Y
G
G
-
S
I
E
N
R
A
R
F
L
L
E
V
V
D
A
V
A
E
E
I
G
A
G
R
-----
T
G
I
R
L
S
P
-
V
T
-
P
-
A
N
D
I
-
F
-
E
A
-
D
P
-----
Q
P
L
Y
N
Y
V
V
E
Q
L
------
G
K
R
N
L
A
F
I
----
H
V
V
E
G
A
T
-
G
---
G
----
P
R
D
FK
Q
G
D
K
P
F
D
Y
A
S
F
K
A
A
Y
-
R
N
A
G
G
K
--
G
L
W
I
A
N
N
G
Y
D
R
-
Q
S
A
I
E
A
V
--
E
--
S
-
G
KV
D
A
V
A
F
G
K
A
F
I
A
N
P
D
L
V
R
R
L
K
N
D
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
62.79
29%
-94
- C4 -
3KRU
2
?
A:
[4-317]
-----------
L
H
M
P
L
K
I
K
DIT
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
-
S
-
T
D
G
M
P
N
D
---
W
H
I
V
H
Y
A
T
R
A
I
G
-
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
R
I
-
T
-
D
H
D
-
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
---
I
-
S
------
Y
E
------------
D
V
V
G
P
S
--
P
I
K
A
G
-----------
D
RYKL----
P
--------------
R
E
--------------------
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
-
G
Y
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
-
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
----
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
----
M
E
G
G
I
-
N
I
-
D
M
----
M
V
E
Y
I
N
M
I
K
D
--------
K
V
D
L
I
D
V
S
S
-
G
G
L
L
N
V
D
I
N
-
L
---
Y
----
P
G
---------
Y
----
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
--
R
-
A
--
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
HHSearch
62.72
23%
-95
- C4 -
1ICP
4
OPR1_SOLLC
A:
[12-348]
---
D
K
I
P
L
M
S
P
C
K
M
-
G
K
F
E
---
L
C
H
R
V
V
L
A
P
L
T
R
Q
R
S
---
Y
G
Y
I
P
Q
P
---
H
A
I
L
-
H
Y
S
Q
R
S
T
-
N
G
G
L
L
I
G
E
A
T
V
I
S
E
T
G
I
G
-
Y
-
K
D
V
-
P
G
I
W
T
K
E
Q
V
E
A
W
K
P
I
V
D
A
V
H
A
K
G
G
I
F
F
C
Q
I
W
H
V
G
R
V
S
N
K
D
F
Q
P
N
------
G
E
------------
D
P
I
S
C
T
--
D
R
G
L
T
P
QIMSNGI
D
--
I
--------
A
--------------
H
F
T
R
P
R
---------------
R
L
T
T
D
E
I
P
Q
I
V
N
E
F
R
V
A
A
R
N
A
I
E
A
G
F
D
G
V
E
I
H
G
A
H
-
G
Y
L
-
I
D
Q
F
M
K
D
Q
V
N
D
R
S
D
K
Y
G
G
-
S
L
E
N
R
C
R
F
A
L
E
I
V
E
A
V
A
N
E
I
G
-----
S
D
R
V
G
I
R
I
S
P
F
A
H
-
Y
N
E
A
G
D
T
N
-
P
T
-
A
L
----
G
L
Y
M
V
E
S
L
N
K
-
Y
------
D
L
A
Y
C
H
V
V
E
P
R
M
K
T
--------------------
C
--
T
E
S
L
----
V
P
M
R
-
K
A
Y
--
K
--
G
T
F
I
V
A
G
G
Y
-
D
R
E
D
G
N
R
A
L
--
I
E
-
D
R
A
--
D
L
V
A
Y
G
R
L
F
I
S
N
P
D
L
P
K
R
F
E
L
N
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
62.61
29%
-95
- C4 -
3KRZ
2
?
A:
[4-317]
-----------
L
H
M
P
L
K
I
K
DIT
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
-
S
-
T
D
G
M
P
N
D
---
W
H
I
V
H
Y
A
T
R
A
I
G
-
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
R
I
-
T
-
D
H
D
-
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
---
I
-
S
------
Y
E
------------
D
V
V
G
P
S
--
P
I
K
A
G
-----------
D
RYKL----
P
--------------
R
E
--------------------
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
-
G
Y
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
-
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
----
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
----
M
E
G
G
I
-
N
I
-
D
M
----
M
V
E
Y
I
N
M
I
K
D
--------
K
V
D
L
I
D
V
S
S
-
G
G
L
L
N
V
D
I
N
-
L
---
Y
----
P
G
---------
Y
----
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
--
R
-
A
--
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
Fugue
62.58
20%
-68
- C4 -
3K30
3
?
A:
[7-690]
V
A
A
P
Y
D
V
L
F
E
P
V
Q
I
-
G
P
F
T
---
T
K
N
R
F
Y
Q
V
P
H
C
N
G
M
G
-
Y
-
R
D
--
P
S
A
---
Q
A
S
M
-
R
K
I
K
A
E
G
-
G
W
S
A
V
C
T
E
Q
V
E
I
H
A
T
S
D
I
-
A
-
P
F
I
E
L
R
I
W
D
D
Q
D
L
P
A
L
K
R
I
A
D
A
I
H
E
G
G
G
L
A
G
I
E
L
A
H
N
G
M
N
A
P
N
Q
L
S
-
R
-------
E
------------
T
P
L
G
P
G
HL
P
V
A
P
D
-----------
T
--------
I
--------------
A
P
I
Q
A
R
---------------
A
M
T
K
Q
D
I
D
D
L
R
R
W
H
R
N
A
V
R
R
S
I
E
A
G
Y
D
I
V
Y
V
Y
G
A
H
G
Y
S
G
-
V
H
H
F
L
S
K
R
Y
N
Q
R
T
D
E
Y
G
-
G
S
L
E
N
R
M
R
L
L
R
E
L
L
E
D
T
L
D
E
C
A
----
G
R
A
A
V
A
C
R
I
T
V
E
E
----
E
I
D
G
G
I
-
T
R
-
E
D
----
I
E
G
V
L
R
E
L
G
E
L
P
------
D
L
W
D
F
A
M
G
S
W
E
G
D
S
--
V
T
S
-
R
---
F
----
A
P
E
----
G
R
Q
E
E
----
F
V
A
G
-
L
K
K
L
T
T
--
K
P
V
V
G
V
G
R
F
T
S
P
D
A
M
V
R
Q
I
--
K
A
G
I
-
L
--
D
L
I
G
A
A
R
P
S
I
A
D
P
F
L
P
N
K
I
R
D
G
R
L
N
L
I
R
---
E
C
I
G
C
N
I
C
V
S
G
D
L
T
M
S
P
I
R
C
T
Q
N
P
S
M
G
E
E
W
R
R
G
W
H
P
E
R
I
R
A
K
E
S
D
A
R
V
L
V
V
G
AG
P
S
G
L
E
A
A
R
A
L
G
V
R
GYD
V
V
L
A
E
AGRDLG
G
R
V
T
Q
E
S
A
LPGLSAWG
R
V
K
E
Y
R
E
A
V
L
A
E
LPN
V
E
I
Y
R
E
S
P
M
T
G
D
D
I
V
E
F
GFE
H
V
I
T
AT
G
A
T
W
R
TDGVARFHTTALPIAEG
M
Q
V
L
G
P
D
D
L
F
A
GRLPDGK
K
V
V
V
Y
D
DDHYY
L
G
G
V
V
A
E
L
L
A
Q
K
GYE
V
S
I
V
T
PGAQVSSWTNNTFE
V
N
R
I
Q
R
R
L
I
E
N
GVARVTDHAVVAVGAG
G
V
T
V
R
D
TYAS
I
E
R
E
L
E
C
D
A
V
V
M
V
T
A
R
L
P
RE
E
L
Y
L
D
L
V
A
R
R
D
A
GEIA
S
V
R
G
I
G
DAWAPGT
I
A
A
A
V
W
S
G
R
R
A
A
E
E
FDAVLPSNDEVP
F
R
R
E
V
T
QLA
61
HHSearch
62.35
24%
-93
- C4 -
2HSA
4
OPR3_SOLLC
B:
[17-366]
------
P
L
F
S
P
Y
K
M
-
G
K
F
N
---
L
S
H
R
V
V
L
A
P
M
T
R
C
R
A
---
L
N
N
I
P
Q
A
---
A
L
G
E
-
Y
Y
E
Q
R
A
T
-
A
G
G
F
L
I
T
E
G
T
M
I
S
P
T
S
A
G
-
F
-
P
H
V
-
P
G
I
F
T
K
E
Q
V
R
E
W
K
K
I
V
D
V
V
H
A
K
G
A
V
I
F
C
Q
L
W
H
V
G
R
A
S
H
E
V
Y
Q
-
P
A-----
G
A
------------
A
P
I
S
S
T
--
E
K
P
I
S
NR
W
R
I
L
M
PDG
T
H
--------
G
--------------
I
Y
P
K
P
R
---------------
A
I
G
T
Y
E
I
S
Q
V
V
E
D
Y
R
R
S
A
L
N
A
I
E
A
G
F
D
G
I
E
I
H
G
A
H
-
G
Y
L
-
I
D
Q
F
L
K
D
G
I
N
D
R
T
D
E
Y
G
G
-
S
L
A
N
R
C
K
F
I
T
Q
V
V
Q
A
V
V
S
A
I
G
----
A
D
-
R
V
G
V
R
V
S
P
A
I
D
H
L
-
D
A
M
D
S
N
-
P
L
-
S
L
----
G
L
A
V
V
E
R
L
N
K
-
I
Q
L
H
S
GS
K
L
A
Y
L
H
V
T
Q
P
R
Y
V
A
Y
G
Q
T
E
-
A
GRL
G
----
S
E
E
--
E
E
A
-
R
L
M
----
R
T
L
R
-
N
A
Y
--
Q
--
G
T
F
I
C
S
G
G
Y
-
T
R
E
L
G
I
E
A
V
--
A
Q
-
G
D
A
--
D
L
V
S
Y
G
R
L
F
I
S
N
P
D
L
V
M
R
I
K
L
N
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
HHSearch
61.64
21%
-90
- C4 -
3K30
2
?
A:
[9-358]
--
A
P
Y
D
V
L
F
E
P
V
Q
I
-
G
P
F
T
---
T
K
N
R
F
Y
Q
V
P
H
C
N
G
M
G
-
Y
-
R
D
---
P
S
---
A
Q
A
S
-
M
R
K
I
K
A
E
G
G
W
S
A
V
C
T
E
Q
V
E
I
H
A
T
S
D
I
-
A
P
F
I
E
-
L
R
I
W
D
D
Q
D
L
P
A
L
K
R
I
A
D
A
I
H
E
G
G
G
L
A
G
I
E
L
A
H
N
G
M
N
A
P
N
Q
L
S
--------
R
E
------------
T
P
L
G
P
G
--
H
L
P
V
A
PD---------
T
--------
I
--------------
A
P
I
Q
A
R
---------------
A
M
T
K
Q
D
I
D
D
L
R
R
W
H
R
N
A
V
R
R
S
I
E
A
G
Y
D
I
V
Y
V
Y
G
A
H
-
G
Y
S
G
V
H
H
F
L
S
K
R
Y
N
Q
R
T
D
E
Y
G
G
-
S
L
E
N
R
M
R
L
L
R
E
L
L
E
D
T
L
D
E
C
A
----
G
R
A
A
V
A
C
R
I
T
V
E
E
E
-
I
-
D
--
G
G
I
-
T
R
-
E
D
----
I
E
G
V
L
R
E
L
G
E
-
L
-------
P
D
L
W
D
F
A
M
G
S
W
E
G
D
S
V
T
S
R
F
---
A
----
P
E
G
--
R
Q
E
-
E
F
V
----
A
G
L
K
-
K
L
T
--
T
--
K
P
V
V
G
V
G
R
F
T
S
P
D
A
M
V
R
Q
I
--
K
A
-
G
I
L
--
D
L
I
G
A
A
R
P
S
I
A
D
P
F
L
P
N
K
I
R
D
G
R
L
N
L
I
R
E
C
I
G
C
N
I
C
V
S
G
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
HHSearch
61.59
24%
-96
- C4 -
3GKA
1
?
A:
[9-334]
----
M
P
S
L
F
D
P
L
T
I
-
G
D
L
T
---
L
A
N
R
I
I
M
A
P
L
T
R
A
R
A
-
G
-
D
T
R
T
P
N
A
---
L
M
A
R
-
Y
Y
A
E
R
A
S
--
A
G
L
I
I
S
E
A
T
S
V
T
P
Q
G
V
G
-
Y
-
A
S
T
-
P
G
I
W
S
P
E
Q
V
D
G
W
R
L
V
T
D
A
V
H
A
A
G
G
R
I
F
L
Q
L
W
H
V
G
R
V
S
D
P
V
F
L
-
D
------
G
A
------------
L
P
V
A
P
S
--
A
I
A
P
G
-----------
G
HVSLVRPQ
R
--------------
P
Y
V
T
P
R
---------------
A
L
E
L
D
E
I
P
G
V
V
A
A
F
R
R
G
A
E
N
A
R
A
A
G
F
D
G
V
E
V
H
G
A
N
-
G
Y
L
-
L
D
Q
F
L
Q
D
S
A
N
R
R
T
D
A
Y
G
G
-
S
I
E
N
R
A
R
L
L
L
E
V
V
D
A
A
I
D
V
W
S
-----
A
A
R
V
G
V
H
L
A
P
R
G
D
-
A
-
H
T
M
G
D
S
D
P
A
-
A
T
----
F
G
H
V
A
R
E
L
G
R
-
R
------
R
I
A
F
L
F
A
R
E
S
-
F
G
------------------
G
-----
D
A
I
G
----
Q
Q
L
K
-
A
A
F
--
G
--
G
P
F
I
V
N
E
N
F
-
T
L
D
S
A
Q
A
A
L
--
D
A
-
G
Q
A
--
D
A
V
A
W
G
K
L
F
I
A
N
P
D
L
P
R
R
F
K
L
N
A
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
HHSearch
61.39
21%
-84
- C4 -
1O94
2
DHTM_METME
A:
[3-354]
-
D
P
K
H
D
I
L
F
E
P
I
Q
I
-
G
P
K
T
---
L
R
N
R
F
Y
Q
V
P
H
C
I
G
A
G
-
S
--
D
K
--
P
G
---
F
Q
S
A
-
H
R
S
V
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
P
E
S
D
D
T
H
-
R
L
S
-
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
P
N
M
E
--
S
------
R
A
------------
T
P
R
G
P
S
--
Q
Y
A
S
E
-----------
F
--------
E
--------------
T
L
S
Y
C
K
---------------
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
-
S
Y
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
-
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
G
----
S
D
C
A
I
A
T
R
F
G
V
D
T
V
-
Y
-
G
P
-
G
Q
I
-
E
A
E
V
D
----
G
Q
K
F
V
E
M
A
D
S
--------
L
V
D
M
W
D
I
T
I
G
D
I
A
E
W
G
E
D
A
-
G
---
P
SRFY
Q
Q
G
--
H
T
I
-
P
W
V
----
K
L
V
K
-
Q
V
S
--
K
--
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
--
T
K
-
G
Y
A
--
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
C
I
S
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------