@TOME V2.2
(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 : T0823: (2014-06-17 )
MRYRPFGSTGVAVSALTLRLADNPRLRANDWRALVFTALENGVNSFQIDGDAPELLKGAGEAFASVERHLLFLTWRLRGDAKQLGPHTLDALKRSAFEGLSLDYLDLLLINDPQSASLPMAFESGLQDLQKGRALRGLGVASRGDIDPGLLANDLVTAVSSPYNLSSGWAERHRIRQASQNNFAVIGEDFWPQALREVADKAPPKPSFWQRRTDPLADVGGYEFLTNTPGWSAEDICLGYALTEPSLATVRVTADNRQEIERLAAVVERDLPTGVCAQIEMARFSAQEREKAARRP
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....--------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----MRYRPFGSTG
V
A
V
S
A
L
T
L
---
R
LA-D-NP-----R------L---RAN
D
W
R
A
L
V
F
T
A
L
ENGV
N
S
F
------------
Q
I-DGD
A
---------
P
----
E
L
L
K
G
A
G
E
A
F
A
S
--------
V
---
E
R
H
L
L
F
L
T
W
R
L--R---G----
D
------
A
----------
K
QL
G
P
-----------
H
T
L
D
A
L
K
R
S
A
FEGL
S
L
D
Y
L
D
L
L
L
INDPQ-------------------S---------------------A-------SL
P
-------------------
M
A
F
E
S
G
L
Q
D
L
Q
K-GRALRGLGVA--SRGDI
D
-
P
-
G
----
L
L
------
A
-----
N
--
D
----
L
------
V
T
A
------VSSP----------YNLSS
G
W
A
-
E
-
R
H
R
I
R
QA-SQ-N
N
F
A
V
IG------------
E
D
F
W
P
Q
A
-
L
R
E
V
A
DKAPP-K----------
P
--------
S
-------
F
---------
W
Q--R--R------TD--P-----LADVGGY
E
F
LTNT-P------------GWSAE
D
I
C
L
G
Y
ALTE--P
S
L
A
T
V
R
V
TAD
N
R
Q
E
I
E
R
L
A
A
V
--
V
-
E
-R--DLPT
G
V
C
A
Q
I
E
M
A
R
F
S
A
Q
E
R
-------
E
K
AARRP--------------
24
HHSearch
91.07
18%
-67
- C1 -
1LQA
1
TAS_ECOLI
A:
[1-337]
----
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
PVPPRPETQ
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
RNNDKGIRPD
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
PTNCFGKL
G
Y
S
W
T
DSAP----
A
-------
V
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
D
-----
L
--
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
AGA
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
-----------------------------------
22
HHSearch
87.24
16%
-74
- C1 -
1PYF
2
IOLS_BACSU
A:
[2-308]
-----
K
K
A
K
L
G
K
S
D
L
Q
V
F
P
I
G
L
---
G
T
N
-
A
-
V
G
-----
G
HNLYPN
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
IG--
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
DLRNEQE
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
-----------------------------------
30
HHSearch
82.41
17%
-75
- C1 -
3N6Q
-
GPR_ECOLI
A:
[13-331]
----
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
PPPG
S
A
E
E
N
F
G
R
L
L
R
E
DFA-----
A
---
Y
R
D
E
L
I
I
S
T
K
A
--
G
---
Y
DMWP
G
PY----
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
--------------------------------------------------LT----
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
-----------------------------------
26
HHSearch
82.07
18%
-71
- C1 -
3ERP
11
?
A:
[34-348]
----
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
PPPG
S
A
E
C
N
F
G
R
I
L
Q
E
--------
D
FLP
W
R
D
E
L
I
I
S
T
K
A
--
G
---
Y
----
T
MWDGPY
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
-------------------------------------------------IT----
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
-----------------------------------
13
SP3
80.74
17%
-57
- C1 -
1LQA
1
TAS_ECOLI
A:
[1-346]
----
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
EMYPVPPRP
E
T
-
Q
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
D
K
GIRPDQALD
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
N
C
FGKL
G
Y
S
W
T
DSAPAVS
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
D
L
P
RIV
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
YSCLGFGTL---
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
Y
P
A
P
--------------
27
HHSearch
75.29
14%
-75
- C1 -
1YNP
2
?
A:
[21-307]
----
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
QG--
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
-
P
-
T
------------
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
----------------------------------
16
SP3
74.88
16%
-68
- C1 -
1EXB
1
KCAB2_RAT
A:
[1-326]
---L
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
G------
W
---
R
R
S
S
L
V
I
T
T
K
I
FW
G
---
G
----
K
------
A
----------
E
T
E
R
G
LS
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
N
LIPPI
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
IQ
V
-
L
-
P
--
K
L
S
-----
S
S
I
V
H
E
I
D
S
I
L
-----------
G
N
K
P
Y
S------------
20
SP3
74.87
18%
-66
- C1 -
1J96
2
AK1C2_HUMAN
A:
[1-323]
DDS
K
Y
Q
C
V
K
L
N
D
-
G
H
F
M
P
V
L
G
F
---
G
T
Y
-
A
-
P
A
-----
E
------
V
---
P
K
S
K
A
L
E
A
V
K
L
A
I
E
A
G
F
H
H
I
D
S
A
---------
H
V
-
Y
N
N
E
---------
E
----
Q
V
G
L
A
I
R
S
K
I
A
D
GS------
V
---
K
R
E
D
I
F
Y
T
S
K
L
--
W
---
S
----
N
------------------
S
H
R
P
-----------
E
L
V
R
P
A
L
E
R
S
L
K
N
L
Q
L
D
Y
V
D
L
Y
L
I
H
F
P
V
-------------------
S
---------------------
V
-------
K
P
G
EEVIPKDENGKI
L
F
D
T
V
D
L
C
A
T
W
E
A
M
E
K
C
K
D
A
G
L
A
-
K
S
I
G
V
S
--
N
---
F
N
-
H
-
R
----
L
L
------
E
-----
M
--
I
----
L
------
N
K
P
GLKYKP
V
C
N
Q
----------
V
E
C
H
P
Y
F
N
-
Q
-
R
K
L
L
D
F
C
-
K
S
-
K
D
I
V
L
V
A
--------------
Y
S
A
L
G
-
S
H
R
E
E
P
W
V
D
P
N
S
----------
P
--------
V
-------
L
---------
L
E
--
D
P
-
V
------
L
C
--
A
-----
L
A
K
K
H
K
R
-----
T
-
P
---------------
A
L
-
I
A
L
R
Y
Q
L
Q
R
--
G
V
--
V
V
L
A
K
S
Y
N
E
Q
R
I
R
Q
N
V
Q
V
--
F
-
E
-
F
--
Q
L
T
-----
S
E
E
M
K
A
I
D
G
L
N
R
NVRYLTL
D
I
F
A
G
P
P
NYPFSDEY------
38
HHSearch
74.79
17%
-83
- C1 -
2WZM
1
Y2407_MYCS2
A:
[11-268]
----
I
P
T
V
T
L
N
-
D
D
N
T
L
P
V
V
G
I
---
G
V
G
-
E
-
L
-----------------
S
D
S
E
A
E
R
S
V
S
A
A
L
E
A
G
Y
R
L
I
------------
D
T
-
A
A
A
Y
---------
G
-----
N
E
A
A
V
G
R
A
I
A
A
SG------
I
---
P
R
D
E
I
Y
V
T
T
K
L
--
A
---
T
----------------------
P
D
Q
G
F
-----------
T
S
S
Q
A
A
A
R
A
S
L
E
R
L
G
L
D
Y
V
D
L
Y
L
I
H
W
P
G
-------------------
G
---------------------
D
T
------
S
K
Y
-------------------
V
D
S
W
G
G
L
M
K
V
K
E
-
D
G
I
A
R
S
I
G
V
C
--
N
F
G
A
E
D
-
L
-
E
T
---
I
V
------
S
L
T---
Y
--
F
----
T
------
P
A
V
------
N
Q
I
E
----------
L
H
P
L
L
N
---
Q
-
A
A
L
R
E
V
N
-
A
G
-
Y
N
I
V
T
E
A
------------
Y
G
P
L
G
V
G
R
L
L
D
-------------------------------------------------------------
H
------------
P
A
V
T
A
I
A
E
A
-
H
------------
G
R
T
A
A
Q
V
L
L
R
W
S
I
Q
L
--
G
-
N
-
V
V
I
S
R
S
A
N
P
E
R
I
A
S
N
L
D
V
--
F
-
G
-
F
--
E
L
T
A
D
E
M
E
T
L
N
G
L
D
----------------------------------
23
HHSearch
74.03
17%
-67
- C1 -
1PZ1
1
GS69_BACSU
A:
[1-310]
----
M
E
Y
T
S
I
A
D
T
G
I
E
A
S
R
I
G
L
---
G
T
W
-
A
-
I
G
GTMWG
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
FG--
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
NN
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
DDLRNHD
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
----------------------------------
43
HHSearch
73.74
14%
-82
- C1 -
1AFS
2
DIDH_RAT
A:
[5-300]
----
S
L
R
V
A
L
-
N
D
G
N
F
I
P
V
L
G
F
---
G
T
T
-
V
-
P
E
-----
K
------
V
---
A
K
D
E
V
I
K
A
T
K
I
A
I
D
N
G
F
R
H
F
------------
D
S
-
A
Y
L
Y
---------
E
-----
V
E
E
E
V
G
Q
A
I
R
S
K
I
E
D
GT--
V
---
K
R
E
D
I
F
Y
T
S
K
L
--
W
---
S
----------------------
T
F
H
R
P
-----------
E
L
V
R
T
C
L
E
K
T
L
K
S
T
Q
L
D
Y
V
D
L
Y
I
I
H
F
P
M
ALQPGDIF
F
P
R
D
EHGKLLF
E
---------------------
T
-------
V
D
I
-------------------
C
D
T
W
E
A
M
E
K
C
K
D
-
A
G
L
A
K
S
I
G
V
S
--
N
F
N
C
R
Q
-
L
E
R
----
I
L
------
N
-----
K
--
P
GLKY
K
------
P
V
C
------
N
Q
V
E
----------
C
H
L
Y
L
N
---
Q
-
S
K
M
L
D
Y
C
-
K
S
-
K
D
I
I
L
V
S
------------
Y
C
T
L
G
S
S
-
R
D
K
-
T
W
V
D
Q
K
-
S
----------
P
--------
V
-------
L
---------
L
-------------------------
D
D
P
V
L
C
A
I
A
K
K
-
Y
------------
K
Q
T
P
A
L
V
A
L
R
Y
Q
L
Q
R
--
G
-
V
-
V
P
L
I
R
S
F
N
A
K
R
I
K
E
L
T
Q
V
--
F
-
E
-
F
--
Q
L
A
S
E
D
M
K
A
L
D
G
L
N
----------------------------------
34
HHSearch
72.37
15%
-75
- C1 -
4EXB
-
?
A:
[9-268]
-----
L
H
R
P
L
G
D
T
G
L
A
V
S
P
L
G
L
---
G
T
V
-
K
-
F
G
-----
R
------
D
TIP
D
D
R
E
A
A
D
L
L
A
L
A
R
D
L
G
I
N
L
I
------------
D
T
-
A
P
A
Y
---------
G
----
R
S
E
E
R
L
G
P
L
L
R
G
--------
Q
---
R
E
H
-
W
V
I
V
S
K
V
--
G
---
E
----
E
DG
Q
S
--
V
----------
F
D
F
S
A
-----------
A
H
T
R
R
S
V
E
R
S
L
K
R
L
E
T
D
R
I
E
L
V
L
V
H
S
D
G
-------------------
N
---------------------
D
L
D
I
----
L
E
N
-------------------
S
E
V
Y
P
T
L
A
A
L
K
R
-
E
G
L
I
G
A
Y
G
L
S
--
G
K
T
V
E
G
-
G
-
L
----
R
A
------
L
-----
R
-------
E
------
G
D
C
------
A
M
V
T
----------
Y
N
L
N
E
R
A
E
---
R
P
V
I
E
Y
A
-
A
A
-
H
A
K
G
I
L
V
------------
K
K
A
L
A
S
------------------------------------------------------------------------------------------------------
G
Q
D
P
V
R
A
S
F
E
L
V
F
D
Q
--
P
G
V
A
A
A
I
V
G
T
I
N
P
L
H
L
A
H
N
V
A
M
--
A
-
A
-
Q
--
A
L
K
---------------------------------------------
32
HHSearch
71.22
14%
-70
- C1 -
3LUT
1
KCAB2_RAT
A:
[40-354]
-------
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
AG--
K
A
E
V
V
L
G
N
I
I
K
K
K
G------
W
---
R
R
S
S
L
V
I
T
T
K
I
--
F
---
W
----
G
GKAET-
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
N
-----
L
--
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
SRASLKGY
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
-----------------------------------
18
SP3
70.77
14%
-80
- C1 -
1VP5
1
?
A:
[14-297]
---Q
V
P
K
V
T
L
-
N
N
G
V
E
M
P
I
L
G
Y
---
G
V
F
----------
Q
------
I
---
P
P
E
K
T
E
E
C
V
Y
E
A
I
K
V
G
Y
R
L
I
D
T
A
---------
A
S
-
Y
M
N
E
---------
E
----
G
V
G
R
A
I
K
R
A
I
D
E
GI------
V
---
R
R
E
E
L
F
V
T
T
K
L
--
W
---------------
V
----------
S
D
V
G
Y
E
----------
S
T
K
K
A
F
E
K
S
L
K
K
-
L
Q
L
E
Y
I
D
L
Y
L
I
H
Q
P
F
-------------------
G
---------------------
D
---------
V
-------------------
H
C
A
W
K
A
M
E
E
M
Y
K
-
D
G
L
V
R
A
I
G
V
S
NF
Y
P
D
R
L
M
-
D
------
L
M
------
V
-----
H
--
H
----
E
------
I
V
P
------
A
V
N
Q
----------
I
E
I
H
P
F
Y
Q
-
R
-
Q
E
E
I
E
F
M
-
R
N
-
Y
N
I
Q
P
E
A
W
GPFAEGRKNIF
Q
N
---
G
V
-
L
R
S
I
A
E
K
Y
--------------------------------------------------------------------------------------------
G
K
T
V
A
Q
V
I
L
R
W
L
T
Q
K
--
G
I
V
--
A
I
P
K
T
V
R
R
E
R
M
K
E
N
I
S
I
--
F
-
D
-
F
--
E
L
T
-----
Q
E
D
M
E
K
I
A
T
L
D
E
-------
G
Q
S
A
F
F
S
HRD
P
E
V
V
K
W
I
C
S
LK
39
HHSearch
70.21
17%
-76
- C1 -
4F40
10
PGFS_LEIMA
A:
[10-274]
----
K
A
M
V
T
L
-
S
N
G
V
K
M
P
Q
F
G
L
---
G
V
W
-
Q
-
S
P
----------------
A
G
E
V
T
E
N
A
V
K
W
A
L
C
A
G
Y
R
H
I
------------
D
T
-
A
A
I
Y
---------
K
-----
N
E
E
S
V
G
A
G
L
R
A
S
G------
V
---
P
R
E
D
V
F
I
T
T
K
L
--
W
---
N
----------------------
T
E
Q
G
Y
-----------
E
S
T
L
A
A
F
E
E
S
R
Q
K
L
G
V
D
Y
I
D
L
Y
L
I
H
W
P
R
-------------------
G
---------------------
K
D
I
L
S
K
EG
K
K
Y
-------------------
L
D
S
W
R
A
F
E
Q
L
Y
K
-
E
K
K
V
R
A
I
G
V
S
--
N
F
H
I
H
H
-
L
E
D
----
V
L
------
A
-----
M
CT
V
----
T
------
P
M
V
------
N
Q
V
E
----------
L
H
P
L
N
N
Q
----
A
D
L
R
A
F
C
-
D
A
-
K
Q
I
K
V
E
A
------------
W
S
P
L
G
--K
L
L
S
-------------------------------------------------------------
N
------------
P
I
L
S
A
I
G
A
K
-
Y
------------
N
K
T
A
A
Q
V
I
L
R
W
N
I
Q
K
--
N
L
--
I
T
I
P
K
S
V
H
R
E
R
I
E
E
N
A
D
I
--
F
-
D
-
F
--
E
L
G
A
E
D
V
M
S
I
D
A
L
N
----------------------------------
12
SP3
70.02
15%
-67
- C1 -
1OG6
1
YDHF_ECOLI
A:
[1-297]
---L
V
Q
R
I
T
I
A
P
Q
G
P
E
F
S
R
F
V
M
G
YW
R
L
M
-
D
--
W
-----
N
------
M
---
S
A
R
Q
L
V
S
F
I
E
E
H
L
D
L
G
V
T
T
V
D
H
A
---------
D
I
-
Y
G
G
Y
--------------
Q
C
E
A
A
F
G
E
A
L
K
L
A
P------
H
---
L
R
E
R
M
E
I
V
S
K
C
--
G
---
I
----
A
------
T
----------
T
A
R
E
E
NV
I
G
H
Y
I
TD
R
D
H
I
I
K
S
A
E
Q
S
L
I
N
-
L
A
T
D
H
L
D
L
L
L
I
H
R
P
D
-------------------
P
---------------------
L
-------
M
D
A
-------------------
D
E
V
A
D
A
F
K
H
L
H
Q
S
G
K
V
-
R
H
F
G
V
S
--
N
---
F
T
-
P
-
A
----
Q
F
------
A
-----
L
--
L
----
Q
S
R
LPFT
L
A
T
------
N
Q
V
E
----------
I
S
P
V
H
Q
P
L
-
L
-
L
D
G
T
L
D
Q
L
Q
Q
-
L
R
V
R
P
M
A
--------------
W
S
C
L
G
-
G
G
R
L
F
N
D
------------------------
D
-------
Y
---------
F
Q
--
P
--
L
------
R
D
--
E
-----
L
A
V
V
A
-----
E
E
L
-
N
------------
A
G
S
I
E
Q
V
V
N
A
W
V
L
R
L
--
P
S
Q
P
L
P
I
I
G
S
G
K
I
E
R
V
R
A
A
V
E
A
--
E
-
T
-
L
--
K
M
T
-----
R
Q
Q
W
F
R
I
R
K
A
A
L
-------
G
Y
D
V
-----------------
29
HHSearch
69.08
14%
-67
- C1 -
3EAU
1
KCAB2_RAT
A:
[3-321]
----
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
AA-------
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
GKAET-
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
N
-----
L
--
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
SRASLKGY
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
----------------------------------
42
HHSearch
68.88
15%
-84
- C1 -
3KRB
3
?
A:
[21-313]
------------
S
M
Q
Y
P
P
R
L
G
F
---
G
T
W
-
Q
-
A
P
-----------------
P
E
A
V
Q
T
A
V
E
T
A
L
M
T
G
Y
R
H
I
------------
D
C
-
A
Y
V
Y
---------
Q
-----
N
E
E
A
I
G
R
A
F
G
K
I
F
K
DASSG
I
---
K
R
E
D
V
W
I
T
S
K
L
--
W
---
N
----------------------
Y
N
H
R
P
-----------
E
L
V
R
E
Q
C
K
K
T
M
S
D
L
Q
V
D
Y
L
D
L
F
L
V
H
W
P
L
-------------------
A
F
V
RNDVGDL
F
P
K
D
AEG
R
A
M
L
E
K
-------
V
P
L
-------------------
A
D
T
W
R
A
M
E
Q
L
V
E
-
E
G
L
V
K
H
I
G
V
S
--
N
Y
T
V
P
L
-
L
A
D
----
L
L
------
N
Y
A---
K
--
I
----
K
------
P
L
V
------
N
Q
I
E
----------
I
H
P
W
H
P
N
----
D
A
T
V
K
F
C
-
L
D
-
N
G
I
G
V
T
A
------------
Y
S
P
M
G
G
S
-
Y
A
---------------------------------------------------
T
--
Q
------
K
N
--
V
-----
I
L
E
C
K
T
L
K
A
I
A
D
A
-
K
------------
G
T
S
P
H
C
V
A
L
A
W
H
V
K
K
W
N
T
S
M
Y
S
V
I
P
K
S
Q
T
P
A
R
I
E
A
N
F
K
C
--
T
-
E
-
V
--
Q
L
S
D
D
D
M
D
A
I
N
N
I
-----------------------------------
25
HHSearch
68.63
15%
-59
- C1 -
3N2T
-
?
A:
[3-313]
----
S
D
T
I
R
I
P
G
I
D
T
P
L
S
R
V
A
L
---
G
T
W
-
A
-
I
G
GWMWG
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
FG--
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
ED-
E
KN
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
KDDLRSND
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
S
G
V
K
D
V
--
F
-
G
-
W
--
S
L
T
D
E
E
K
K
A
V
D
D
I
L
----------------------------------
40
HHSearch
68.56
18%
-74
- C1 -
3F7J
-
GR_BACSU
A:
[6-262]
----
K
D
T
V
K
L
-
H
N
G
V
E
M
P
W
F
G
L
---
G
V
F
-
K
-
V
E
----------------
N
G
N
E
A
T
E
S
V
K
A
A
I
K
N
G
Y
R
S
I
------------
D
T
-
A
A
I
Y
---------
K
-----
N
E
E
G
V
G
I
G
I
K
E
SG------
V
---
A
R
E
E
L
F
I
T
S
K
V
--
W
---
N
----------------------
E
D
Q
G
Y
-----------
E
T
T
L
A
A
F
E
K
S
L
E
R
L
Q
L
D
Y
L
D
L
Y
L
I
H
W
P
G
-------------------
K
---------------------
D
--------
K
Y
-------------------
K
D
T
W
R
A
L
E
K
L
Y
K
-
D
G
K
I
R
A
I
G
V
S
--
N
F
Q
V
H
H
-
L
-
E
E
---
L
L
------
K
DA---
E
--
I
----
K
------
P
M
V
------
N
Q
V
E
----------
F
H
P
R
L
T
Q
----
K
E
L
R
D
Y
C
-
K
G
-
Q
G
I
Q
L
E
A
------------
W
S
P
L
M
Q
G
-
Q
L
L
D
------------------------------------------------------------
N
------------
E
V
L
T
Q
I
A
E
K
-
H
------------
N
K
S
V
A
Q
V
I
L
R
W
D
L
Q
H
--
G
V
--
V
T
I
P
K
S
I
K
E
H
R
I
I
E
N
A
D
I
--
F
-
D
-
F
--
E
L
S
Q
E
D
M
D
K
I
D
A
L
N
----------------------------------
User Run . : Multi Template Modeling Result:
(4 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MRYRPFGSTG
V
A
V
S
A
L
T
L
R
LADNPRLRAN
D
W
R
A
L
V
F
T
A
L
ENGV
N
S
F
Q
IDGD
A
P
E
L
L
K
G
A
G
E
A
F
A
S
V
E
R
H
L
L
F
L
T
W
R
LRG
D
A
K
QL
G
P
H
T
L
D
A
L
K
R
S
A
FEGL
S
L
D
Y
L
D
L
L
L
INDPQSASL
P
M
A
F
E
S
G
L
Q
D
L
Q
KGRALRGLGVASRGDI
D
P
G
L
L
A
N
D
L
V
T
A
VSSPYNLSS
G
W
A
E
R
H
R
I
R
QASQN
N
F
A
V
IG
E
D
F
W
P
Q
A
L
R
E
V
A
DKAPPK
P
S
F
W
QRRTDPLADVGGY
E
F
LTNTPGWSAE
D
I
C
L
G
Y
ALTEP
S
L
A
T
V
R
V
TAD
N
R
Q
E
I
E
R
L
A
A
V
V
E
RDLPT
G
V
C
A
Q
I
E
M
A
R
F
S
A
Q
E
R
E
K
AARRP
56
97.87
100%
-90
- C- -
M056
-
A:
[1-360]
M
R
Y
R
P
F
G
S
T
G
V
A
V
S
A
L
T
L
R
L
A
D
N
P
R
L
R
A
N
D
W
R
A
L
V
F
T
A
L
E
N
G
V
N
S
F
Q
I
D
G
D
A
P
E
L
L
K
G
A
G
E
A
F
A
S
V
E
R
H
L
L
F
L
T
W
R
L
R
G
D
A
K
Q
L
G
P
H
T
L
D
A
L
K
R
S
A
F
E
G
L
S
L
D
Y
L
D
L
L
L
I
N
D
P
Q
S
A
S
L
P
M
A
F
E
S
G
L
Q
D
L
Q
K
G
R
A
L
R
G
L
G
V
A
S
R
G
D
I
D
P
G
L
L
A
N
D
L
V
T
A
V
S
S
P
Y
N
L
S
S
G
W
A
E
R
H
R
I
R
Q
A
S
Q
N
N
F
A
V
I
G
E
D
F
W
P
Q
A
L
R
E
V
A
D
K
A
P
P
K
P
S
F
W
Q
R
R
T
D
P
L
A
D
V
G
G
Y
E
F
L
T
N
T
P
G
W
S
A
E
D
I
C
L
G
Y
A
L
T
E
P
S
L
A
T
V
R
V
T
A
D
N
R
Q
E
I
E
R
L
A
A
V
V
E
R
D
L
P
T
G
V
C
A
Q
I
E
M
A
--------------
44
96.52
100%
-83
- C- -
M044
-
A:
[1-360]
M
R
Y
R
P
F
G
S
T
G
V
A
V
S
A
L
T
L
R
L
A
D
N
P
R
L
R
A
N
D
W
R
A
L
V
F
T
A
L
E
N
G
V
N
S
F
Q
I
D
G
D
A
P
E
L
L
K
G
A
G
E
A
F
A
S
V
E
R
H
L
L
F
L
T
W
R
L
R
G
D
A
K
Q
L
G
P
H
T
L
D
A
L
K
R
S
A
F
E
G
L
S
L
D
Y
L
D
L
L
L
I
N
D
P
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A
S
L
P
M
A
F
E
S
G
L
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D
L
Q
K
G
R
A
L
R
G
L
G
V
A
S
R
G
D
I
D
P
G
L
L
A
N
D
L
V
T
A
V
S
S
P
Y
N
L
S
S
G
W
A
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R
H
R
I
R
Q
A
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N
N
F
A
V
I
G
E
D
F
W
P
Q
A
L
R
E
V
A
D
K
A
P
P
K
P
S
F
W
Q
R
R
T
D
P
L
A
D
V
G
G
Y
E
F
L
T
N
T
P
G
W
S
A
E
D
I
C
L
G
Y
A
L
T
E
P
S
L
A
T
V
R
V
T
A
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R
Q
E
I
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L
A
A
V
V
E
R
D
L
P
T
G
V
C
A
Q
I
E
M
A
--------------
52
95.43
100%
-80
- C- -
M052
-
A:
[1-426]
M
R
Y
R
P
F
G
S
T
G
V
A
V
S
A
L
T
L
R
L
A
D
N
P
R
L
R
A
N
D
W
R
A
L
V
F
T
A
L
E
N
G
V
N
S
F
Q
I
D
G
D
A
P
E
L
L
K
G
A
G
E
A
F
A
S
V
E
R
H
L
L
F
L
T
W
R
L
R
G
D
A
K
Q
L
G
P
H
T
L
D
A
L
K
R
S
A
F
E
G
L
S
L
D
Y
L
D
L
L
L
I
N
D
P
Q
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A
S
L
P
M
A
F
E
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G
L
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L
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G
R
A
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L
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A
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G
D
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G
L
L
A
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D
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A
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S
P
Y
N
L
S
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W
A
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R
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R
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A
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N
N
F
A
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A
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A
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K
A
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A
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G
G
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T
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A
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L
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A
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A
A
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C
A
Q
I
E
M
A
R
F
S
A
Q
E
R
E
K
A
A
R
R
P
66
93.12
100%
-83
- C- -
M066
-
A:
[1-376]
M
R
Y
R
P
F
G
S
T
G
V
A
V
S
A
L
T
L
R
L
A
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N
P
R
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D
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A
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A
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A
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A
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L
L
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L
R
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D
A
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L
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A
L
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A
F
E
G
L
S
L
D
Y
L
D
L
L
L
I
N
D
P
Q
S
A
S
L
P
M
A
F
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G
L
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D
L
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G
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A
L
R
G
L
G
V
A
S
R
G
D
I
D
P
G
L
L
A
N
D
L
V
T
A
V
S
S
P
Y
N
L
S
S
G
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A
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R
I
R
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A
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Q
N
N
F
A
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I
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D
F
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A
L
R
E
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A
D
K
A
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P
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F
W
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A
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G
G
Y
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F
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N
T
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A
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G
Y
A
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A
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N
R
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E
I
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A
A
V
V
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L
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T
G
V
C
A
Q
I
E
M
A
R
F
S
A
Q
E
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E
K
A
A
R
R
P