@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 : T0852: (2014-07-11 )
MKKYLTIVIALVTLQSAFSQVISETFSSGRLNRKQKIGIYKPEKYTDRQAYPLIVVLNAETLMEPVVSMVRYYEQFGEMPKCIVVGVYEPKQEDVTVVEEVGRPINESARFFEFVSAELVPYIQGKYPIADLKGVIASEEAGFLANYYMLAEKKPTFNMIVSLNPVALPRMGEEFSHALAAGVPNRLFYYMATADVENKVVYDKAIQFERAMRSAPVHESVEYHFVDFKGSSVNAAKLQGIAQALDMCFDIYKPIGGKEFKTQMETLETGIYEYLENKYNTIYKQLGVKKVPILNDVMATYTAINSSQDWESLKKLAKYVESNGYLKTAMPNFFLAEYYEKIGDDKKALKTYQKAYTEPNIDFITGDLINERITHLQATKRKSKHTKVIEPIEPTEEVAPAQEEQNPTDESNQN
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......-----.400.......410..--------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------------------------------------------------------------------MK
K
Y
L
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I
V
I
A
L
V
T
L
Q
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A
F
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SSGRLNR
K
Q
KIGIYK---PEKYT--D-RQAY
P
----------
L
I
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V
L
N
A
------
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------
T
----
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M
-----
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--------
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-
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------------
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F-G---EMP
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------
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VYE---------P---KQ-E--------
D
----------
V
T
V
-------------
V
-----------
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VG-----------R-----PI
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--
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IQ--GKY
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I---ASEEA
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SLNPVAL---P-----R
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-------------ATA--D--VE--------------N
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RSAP------V----------HES
V
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-FKG-SSV
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TAINSSQ--
D
W
---
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---KTAMP
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L
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L
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A
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KRKSKHT
K
V
IEPIE
P
T
E
EV-----APAQEEQNPTDESNQN--------------
41
HHSearch
91.90
17%
-86
- C3 -
3GFF
1
?
A:
[11-329]
----------------------------------------------------------------------------------------------------------------
E
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N
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A
-----------------------------------------------------------------------------------------------------------------------------
21
Fugue
86.15
15%
-86
- C3 -
3GFF
1
?
A:
[11-329]
----------------------------------------------------------------------------------------------------------------
E
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S
R
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A
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N
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SPGFGV--------
S
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Y
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K
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N
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-----
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----------
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V
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S
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--
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---
K
Q
M
L
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G
L
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---
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F
A
-----------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
80.11
17%
-110
- C3 -
3C8D
2
?
A:
[167-398]
----------------------------------------------------------------------------------------------------------------
P
A
K
E
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I
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K
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L
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N
S
R
R
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---------
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----------
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-----
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H
----
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GGQQE
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----
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-----
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---
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------------
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------------
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-----------------
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----------------
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--
A
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--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
Fugue
74.86
14%
-79
- C3 -
1JJF
-
XYNZ_CLOTH
A:
[11-265]
--------------------------------------------------------------------------------------------S
L
P
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M
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----------
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L
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----
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----
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DWFEGGGR
A
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--------
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----------------
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--
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C
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--
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------------------------
S
--
L
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-----
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F
G
Q
R
V
H
E
Y
C
------
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----------
A
N
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I
N
-
H
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W
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G
-
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-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
HHSearch
69.57
17%
-76
- C3 -
3I6Y
5
?
A:
[16-259]
----------------------------------------------------------------------------------------------------------------
W
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K
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A
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----------
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------
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CSDE
N
F
-----
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----
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--------
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A
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--------
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---
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--------
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A
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EGYDLGQGAGFY
V
-----------
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-----
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GKDTDTWREYD
A
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----
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--
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P
-
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S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
68.30
16%
-101
- C3 -
2GZS
1
?
A:
[13-265]
-----------------------------------------------------------------------------------------------------------------
F
S
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QTNLPFD
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--------
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----------
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P
-------------
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-----------
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KTDLH------
R
-----
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--
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-
N
-
A
S
-------
F
R
Q
A
----
L
L
D
I
S
-----
G
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
SP3
67.48
9%
-84
- C3 -
1JJF
-
XYNZ_CLOTH
A:
[11-265]
--------------------------------------------------------------------------------------------S
L
P
T
M
P
P
S
G
Y
D
Q
V
R
N
G
V
P
R
G
Q
V
V
N
I
S
Y
F
S
T
A
T
N
S
T
R
P
A
R
V
Y
L
---
P
P
G
Y
S
--
K
-
D
K
K
Y
S
----------
V
L
Y
L
L
H
G
I
GGSE-
N
------
D
----
W
F
-----
E
GGG-
R
--------
A
-
N
V
I
A
D
------------
N
L
I
A
E
-
G
---
K
I
K
P
------
L
I
I
V
T
P
N
T
---------
N
---
A
A
-
G
--------
P
-----------------------------------------------------
G
-----
I
A
D
--
G
Y
E
N
F
T
K
D
L
L
N
S
L
I
P
Y
I
E
--
S
N
Y
S
-
V
--
Y
-------------
T
--
D
RE
H
------------
R
--
A
I
---
A
G
L
S
M
G
G
G
Q
-
S
F
N
I
G
--
L
T
N
L
--
D
K
F
A
Y
I
------------
G
P
I
S
A
A
P
N
---
T
-----
Y
P
----
N
-----
E
----
R
-----
L
F
P
D
G
------------
G
------------
K
-----------------
A
----------------
A
--
R
-
E
--
K
-
L
-
K
L
L
--
F
I
A
-
C
-------------
G
T
N
--
D
------------------------
S
--
L
I
-----
G
F
G
Q
R
V
H
E
Y
C
------
V
----------
A
N
N
I
N
-
H
V
Y
W
L
-
I
Q
G
G
G
H
D
F
-
N
-
V
-
W
-
K
-
P
G
-------
L
W
N
F
----
L
Q
M
A
D
-----
E
----
A
G
L
T
R
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
HHSearch
67.32
16%
-99
- C3 -
3FCX
-
ESTD_HUMAN
A:
[15-262]
----------------------------------------------------------------------------------------------------------------
L
Q
K
V
F
E
H
D
S
V
E
L
N
C
K
M
K
F
A
V
Y
L
---
P
P
K
A
E
--
T
--
G
K
C
P
----------
A
L
Y
W
L
S
G
------
L
------
T
CT
E
Q
N
F
-----
I
----
S
--------
K
-
S
G
Y
H
Q
------------
S
A
S
E
H
--------
G
------
L
V
V
I
A
P
D
T
S--------
P
---
R
G
-
C
--------
N
----------
I
--FGTGAGFY-----
V
-----------
D
A
T
E
-----------
D
-----
P
W
K
--
T
N
Y
R
M
Y
S
Y
V
T
E
E
L
P
Q
L
I
N
--
A
N
F
P
-
V
--
D
-------------
P
--
Q
--
R
------------
M
S
-
I
F
---
G
H
S
M
G
G
H
G
A
--
L
I
C
A
--
L
K
N
P
--
G
K
Y
K
S
V
------------
S
A
F
A
P
I
C
N
---
P
-----
V
L
----
C
-----
P
W
G
K
K
A
-----
F
---
S
------------
G
------------
Y
-----------------
L
GSKWKAYD
A
T
H
L
V
---
K
--
S
-
Y
--
P
-----
L
--
D
I
L
-
I
-------------
D
Q
G
--
K
--
D
D
--------------
Q
F
L
L
D
G
Q
LL
P
D
-----
N
F
I
A
A
C
T
E
K
K
--------------------
I
P
-
V
V
F
R
L
-
Q
E
D
-
Y
D
H
S
-
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
Fugue
66.60
13%
-65
- C3 -
1GKL
3
XYNY_CLOTM
A:
[15-297]
---------------------------------------------------------------------------------------S
F
K
Y
E
S
A
V
Q
Y
R
P
A
P
D
S
Y
L
N
P
C
P
Q
A
G
R
I
V
K
E
T
Y
T
G
--
I
N
G
T
K
S
L
N
V
Y
L
---
P
Y
G
Y
D
--
P
-
N
K
K
Y
N
----------
I
F
Y
L
M
H
G
------
G
------
G
----
E
N
-----
E
----
N
TIFSNDVK
L
-
Q
N
I
L
D
------------
H
A
I
M
N
-
G
---
E
L
E
P
------
L
I
V
V
T
P
T
F
---------
N
---
G
G
-
N
----------------------------------------------------------------------
C
--
T
A
Q
N
F
Y
Q
E
F
R
Q
N
V
I
P
F
V
E
--
S
K
Y
S
-
T
--
Y
----------------------------------------------
A
E
S
-
T
T
P
Q
G
--
I
A
A
S
--
R
M
H
R
G
F
------------
G
G
F
A
--------------
M
----
G
-----
G
----
L
-----
T
---
T
------------
W
------------
Y
-----------------
V
----------------
M
--
V
-
N
--
C
-
L
-
D
Y
V
A
Y
F
M
P
-
L
-------------
S
G
D
--
Y
--
W
Y
--------------
G
N
S
P
Q
D
K
--
A
N
-----
S
I
A
E
A
I
N
R
S
G
------
L
----------
S
K
R
E
Y
-
F
V
F
A
A
-
T
G
S
-
E
D
I
A
-
Y
-
A
-
N
-
M
-
N
P
-------
Q
I
E
A
----
M
K
----------------------------
A
L
P
H
F
D
Y
T
S
D
-
F
S
K
G
N
F
Y
F
L
V
A
P
G
A
T
------------------------------
H
W
---
W
G
Y
V
R
-
H
Y
I
---
Y
D
A
L
P
Y
F
F
---------------------------------------------------------
H
E
L
E
H
H
H
H
H
H
-----------------------------------------------
30
Fugue
66.46
15%
-29
- C2 -
1HS6
2
LKHA4_HUMAN
A:
[2-611]
PEIVDTCSLASPASVCRTK
H
L
H
L
R
C
S
V
D
FTRR
T
L
T
G
T
A
A
L
T
V
Q
S
QEDNLR
S
L
V
L
D
T
K
DLTIE
K
V
V
I
NG
Q
E
V
K
Y
A
L
G
E
RQSYK
G
S
P
M
E
I
S
L
P
I
A
L
S
K
N
Q
E
I
V
I
E
I
S
F
E
T
S
P
K
S
S
A
L
Q
W
L
T
P
E
Q
T
S
G
K
E
H
P
Y
L
F
S
Q
---
C
Q
A
I
H
--
C
-
R
A
I
L
P
CQDTPS
V
K
L
T
Y
T
A
E
V
S
V
------
P
------
K
----
E
L
-----
V
----
A
--------
L
-
M
S
A
I
R
D
G
E
T
P
D
PEDPS
R
K
I
Y
K
F
-
I
---
Q
K
V
P
I
P
CYL
I
A
L
V
V
G
A
L
E
---------
S
---
R
Q
-
I
GPR
T
L
V
W
S
E
----------
K
E
Q
-------------
V
-----------
E
K
S
A
-----------
Y
-----
E
F
S
--
E
T
E
S
M
L
K
I
A
E
D
L
G
G
P
Y
V
W
--
G
Q
Y
D
-
L
--
L
-------------
V
--
L
--
P
------------
P
--
S
F
PYG
G
M
E
N
P
C
L
T
F
V
T
P
T
L
L
--
A
G
D
K
--
S
L
S
N
V
I
A
H
E
I
S
H
SWTGNL
V
T
N
K
T
W
D
H
---
F
-----
W
L
----
N
-----
E
----
G
-----
H
---
T
------------
V
------------
Y
-----------------
L
----------------
E
--
R
-
H
--
I
-
C
-
G
R
L
--
F
G
E
-
K
-------------
F
R
H
--
F
--
N
A
--------------
L
G
G
W
G
E
L
--
Q
N
-----
S
V
K
T
F
G
E
T
H
P
------
F
TKLVVDLTDI
D
P
D
V
A
-
Y
S
S
V
P
-
Y
E
K
-
G
F
A
L
-
L
-
F
-
Y
-
L
-
E
Q
L
L
GG
P
E
I
F
L
G
F
----
L
K
A
Y
V
-----
E
K
F
S
Y
K
S
I
T
T
D
D
W
K
D
F
L
Y
S
Y
F
K
D
K
V
D
V
L
N
Q
V
D
W
N
A
W
L
Y
S
P
G
L
P
P
I
K
P
N
Y
D
M
T
L
T
N
A
C
I
A
L
S
Q
--
R
W
I
T
A
K
E
-
D
D
L
N
S
F
---
N
A
T
D
L
-
K
D
L
---
S
S
H
Q
L
N
E
F
L
A
Q
T
L
Q
R
A
P
L
P
L
G
H
I
-
K
R
M
Q
E
V
Y
NFNAINN
S
E
I
R
F
R
W
L
R
L
C
I
Q
S
KWEDA
I
P
L
A
L
K
M
A
T
E
Q
G
R
M
K
F
T
R
P
L
F
K
D
L
A
A
F
D
K
S
-----
H
D
Q
A
V
R
T
Y
Q
E
H
K
A
S
M
H
P
V
T
A
M
L
V
G
K
D
L
KVD
32
SP3
65.89
8%
-90
- C3 -
1GKL
3
XYNY_CLOTM
A:
[15-297]
---------------------------------------------------------------------------------S
F
K
Y
E
SAVQYRP
A
P
D
S
Y
L
------
N
P
C
P
Q
A
G
R
I
V
K
E
T
Y
T
G
--
I
N
G
T
K
S
L
N
V
Y
L
---
P
Y
G
Y
D
--
P
-
N
K
K
Y
N
----------
I
F
Y
L
M
H
G
G
GENE-
N
------
T
----
I
F
-----
S
NDV-
K
--------
L
-
Q
N
I
L
D
------------
H
A
I
M
N
-
G
---
E
L
E
P
------
L
I
V
V
T
P
T
F
-------------------------------------------------------------------
N
-----------
G
-----
G
N
C
--
T
A
Q
N
F
Y
Q
E
F
R
Q
N
V
I
P
F
V
E
--
S
K
Y
S
-
T
--
Y
-------------
A
--
E
--
S
TT
P
Q
G
I
A
A
S
RMH
R
--
G
F
---
G
G
F
A
M
G
G
L
T
-
T
W
Y
V
M
--
V
N
C
L
--
D
Y
V
A
Y
F
------------
M
P
L
S
G
D
Y
W
---
Y
GNS
P
Q
D
K
----
A
-----
N
----
S
-----
I
---
A
------------
E
------------
A
-----------------
I
----------------
N
--
R
S
G
--
L
S
K
-
R
E
Y
--
F
V
F
-
A
-------------
A
T
G
--
S
--
E
D
--------------
I
A
--
Y
A
N
--
M
N
-----
P
Q
I
E
A
M
K
A
L
P
H
F
D
Y
T
S
D
----------
F
S
K
G
N
-
F
Y
F
L
V
-
A
P
G
-
A
T
H
W
W
G
-
Y
-
V
-
R
-
H
Y
-------
I
Y
D
A
----
L
P
Y
F
F
-----
H
E
--
L
E
H
H
H
H
H
H
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
64.96
13%
-95
- C3 -
1JJF
-
XYNZ_CLOTH
A:
[33-259]
------------------------------------------------------------------------------------------------------------------
V
N
I
S
Y
F
S
T
A
T
N
S
T
R
P
A
R
V
Y
L
---
P
P
G
Y
S
--
K
-
D
K
K
Y
S
----------
V
L
Y
L
L
H
G
------
I
GGSEN-
D
----
W
F
-----
E
GGG-
R
--------
A
-
N
V
I
A
D
------------
N
L
I
A
E
-
G
---
K
I
K
P
------
L
I
I
V
T
P
N
T
---------
N
---
A
A
-
G
--------
P
-----------------------------------------------------
G
-----
I
A
D
--
G
Y
E
N
F
T
K
D
L
L
N
S
L
I
P
Y
I
E
--
S
N
Y
S
-
V
YT
D
-------------
R
--
E
H-
R
------------
A
--
I
A
---
G
L
S
M
G
G
G
Q
S
--
F
N
I
G
--
L
T
N
L
--
D
K
F
A
Y
I
------------
G
P
I
S
A
A
P
N
---
T
-----
Y
P
----
N
-----
E
----
R
-----
L
F
--
P
------------
D
------------
G
-----------------
G
----------------
K
--
A
-
A
--
R
-
E
-
K
L
K
--
L
L
F
-
I
-------------
A
C
G
--
T
--
N
D
--------------
S
--
L
I
G
F
--
G
Q
-----
R
V
H
E
Y
C
V
A
N
--------------------
N
I
N
-
H
V
Y
W
L
-
I
Q
G
-
G
G
H
D
-
F
N
V
-
W
-
K
-
P
G
-------
L
W
N
F
----
L
Q
M
A
D
-----
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
Fugue
63.56
13%
-26
- C3 -
2HEK
8
?
A:
[1-369]
--------------------------------------------------------------------------------------------M
I
K
E
F
S
D
P
L
Y
G
F
V
R
V
G
E
A
G
L
R
L
I
D
-
S
F
P
F
Q
R
L
R
Y
V
K
Q
L
G
L
A
Y
LVF
P
S
A
Q
H
--
T
-
R
F
E
H
S
----------
L
G
V
Y
H
I
T
------
E
------
R
----
I
C
-----
E
----
S
--------
L
-
K
V
K
E
K
------------
E
L
V
K
L
-
A
---
G
L
L
H
------
D
L
G
H
P
P
F
S
---------
H
---
T
T
-
E
--------
V
----------
L
L
P
-------------
R
-----------
E
R
S
H
-----------
E
-----
D
------------
F
T
E
R
V
I
K
E
T
E
--
I
Y
E
I
-
L
--
K
-------------
Q
--
D
--
Y
------------
S
--
H
E
---
D
I
E
R
L
V
R
I
T
-
L
G
K
P
E
--
D
E
E
E
--
K
L
L
S
E
I
------------
I
T
-
G
E
F
G
S
---
D
-----
R
M
----
D
-----
Y
----
L
-----
R
---
R
------------
D
------------
A
-----------------
Y
----------------
F
--
C
-
G
--
V
-
S
-
Y
G
F
--
F
---------------------------------------------------------
D
Y
D
R
L
I
S
T
L
R
------
V
----------
Y
E
-----------
N
K
-
V
V
V
D
-
E
-
S
-
G
-
L
-
R
A
-------
L
E
N
F
----
L
I
S
R
Y
-----
F
M
--
Y
V
Q
V
Y
F
H
K
V
V
R
I
L
S
I
H
L
V
E
F
L
K
K
L
I
S
-
Q
E
D
F
T
----
D
I
N
N
F
L
R
L
N
D
A
F
V
I
S
E
L
F
K
R
K
A
--
F
R
---
E
D
-
F
E
R
I
F
Q
RKH
F
K
T
L
L
-
S
T
E
---
N
Y
E
K
F
S
E
T
K
E
R
L
L
E
K
F
P
Q
E
K
V
R
F
-
D
E
V
E
K
E
V
-------
Y
G
G
N
I
Y
V
L
S
S
E
--------------
G
L
K
K
A
H
E
L
S
P
L
I
A
S
L
K
P
I
K
L
Y
R
I
Y
-----
V
D
R
Q
L
W
E
K
A
R
S
E
L
K
----------------
57
HHSearch
63.45
12%
-119
- C3 -
1R88
-
MPT51_MYCTU
A:
[36-298]
-----------------------------------------------------------------------------------------------------------------
Y
E
N
L
M
V
P
S
P
S
M
G
--
R
D
I
P
V
A
F
---
L
A
G
-------
G
-
P
H
----------
A
V
Y
L
L
D
A
------
F
NA----
G
PDVS
N
W
-----
V
----
T
--------
A
-
G
N
A
M
N
------------
T
L
A
G
K
--------
G
------
I
S
V
V
A
P
A
G
---------
G
---
A
Y
-
S
--------
M
----------
Y
T
N
----------------------------------------
W
-----
E
Q
D
--
G
S
K
Q
W
D
T
F
L
S
A
E
L
P
D
W
L
A
--
A
N
R
G
-
L
--
A
-------------
P
--
G
--
G
H
-----------
A
--
A
V
---
G
A
A
Q
G
G
Y
G
A
--
M
A
L
A
--
A
F
H
P
--
D
R
F
G
F
A
------------
G
S
M
S
G
F
L
Y
---
P
-----
S
N
----
T
-----
T
----
T
N
G
A
--
I
---
A
------------
A
G
M
Q
Q
F
GGVDTNG
M
WGAPQLGRWKWHDPWVH
A
----------------
S
--
L
-
L
--
A
-
Q
-
N
N
T
--
R
V
W
-
V
W
S
P
TNPGASDPAA
M
I
G
--
Q
--
A
A
----------------
E
A
M
G
N
--
S
R
-----
M
F
Y
N
Q
Y
R
S
V
--------------------
G
G
H
N
G
H
F
D
F
-
P
A
S
-
G
D
N
G
-
W
-
G
-
S
-
W
A
P
Q
-------
L
G
A
M
----
S
G
D
I
V
-----
G
A
--
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
HHSearch
63.23
12%
-110
- C3 -
1SFR
-
A85A_MYCTU
A:
[7-282]
----------------------------------------------------------------------------------------------------------------
P
V
E
Y
L
Q
V
P
S
P
S
M
G
R
D
I
K
V
Q
F
Q
S
----------
G
-
G
A
N
S
P
----------
A
L
Y
L
L
D
G
------
L
RAQDDF
S
----
G
W
-----
D
----
I
--------
N
-
T
P
A
F
E
------------
W
Y
D
Q
S
-
G
-------------
L
S
V
V
M
P
V
G
---------
G
---
Q
S
-
S
--------
F
----------
Y
S
D
-------------
W
-----------
Y
Q
P
A
CG---------
K
-----
A
G
C
--
Q
T
Y
K
W
E
T
F
L
T
S
E
L
P
G
W
L
Q
--
A
N
R
H
-
V
--
K
-------------
P
--
T
--
G
S
-----------
A
--
V
V
---
G
L
S
M
A
A
S
S
A
--
L
T
L
A
--
I
Y
H
P
--
Q
Q
F
V
Y
A
------------
G
A
M
S
G
L
L
D
---
P
-----
S
Q
----
A
-----
M
G
P
--
T
L
----
I
---
G
L
A
M
G
D
A
GGYKAS
D
------------
M
WGPKEDP
A
W
Q
R
N
DPLLN
V
----------------
G
--
K
-
L
--
I
-
A
-
N
N
T
--
R
V
W
-
V
-------------
Y
C
G
--
N
--
G
K
PSDLGGNN
L
P
A
K
F
L
E
G
F
V
R
T
S
--
N
I
-----
K
F
Q
D
A
Y
N
A
G
G
--------------------
G
H
N
G
V
F
D
F
-
P
D
S
-
G
T
H
S
-
W
-
E
-
Y
W
G
-
A
Q
-------
L
N
A
M
----
K
P
D
L
Q
-----
R
A
--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
62.43
10%
-92
* C3 *
4FOL
-
SFGH_YEAST
A:
[13-293]
----------------------------------------------------------------------------------------------------------------
R
L
I
K
L
S
H
N
S
N
S
T
K
T
S
M
N
V
N
I
Y
L
---
P
K
H
Y
Y
AQ----
R
I
P
----------
T
V
F
Y
L
S
G
------
L
------
T
----
C
T
-----
P
D
N
A
S
E
--------
K
-
A
F
W
Q
F
------------
Q
A
D
K
--------
Y
G
------
F
A
I
V
F
P
D
T
S--------
P
---
R
G
-
D
--------
E
VANDPEGSWD
F
G
Q
-------------
G
-----------
A
G
F
Y
-----------
L
NATQE
P
Y
A
--
Q
H
Y
Q
M
Y
D
Y
I
H
K
E
L
P
Q
T
L
D
--
S
H
F
N
K
L
--
D
-------------
F
LD
N
--
V
------------
A
--
I
T
---
G
I
S
M
G
G
Y
G
A
--
I
C
G
Y
--
L
K
G
Y
SG
K
R
Y
K
S
C
------------
S
A
F
A
P
I
V
N
---
P
-----
S
N
V
P
W
G
Q
-----
K
----
A
-----
F
---
K
------------
G
Y
LGWEAYD
P
C
L
-
L
-----------------
I
----------------
K
--
N
-
I
--
R
-
H
V
G
D
D
--
R
I
L
-
I
-------------
H
V
G
--
D
--
S
D
--------------
P
F
L
-
E
E
H
LK
P
E
-----
L
L
L
E
A
V
K
A
T
S
------
W
----------
Q
D
--
Y
-
V
E
I
K
K
-
V
H
G
-
F
D
H
S
-
Y
-
Y
-
F
V
S
-
T
F
-------
V
P
E
H
----
A
E
F
H
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
SP3
62.26
12%
-36
- C3 -
1QE3
-
PNBA_BACSU
A:
[2-484]
--------------------------------------------------TH
Q
I
V
T
T
QY
G
K
V
K
G
T
T
E
NG
V
H
K
W
K
GIPYAKPPVGQWRFKAPEP
P
E
V
W
E
D
V
L
D
A
--
T
A
Y
G
P
I
C
P
Q
P
S
L
P
R
Q
S
---
E
D
C
L
Y
V
N
V
F
A
---
P
D
T
P
S
--
Q
---
N
L
P
----------
V
M
V
W
I
H
G
------
G
------
A
----
F
Y
LGAGS
E
----
P
--------
L
-
Y
D
G
S
K
------------
L
A
A
Q
G
-
E
-------------
V
I
V
V
T
L
N
Y
---------
R
---
L
G
-
P
--------
F
----------
G
F
L
-------------
H
-----------
L
S
S
F
-----------
D
-----
E
A
Y
--
S
D
N
L
G
L
L
D
Q
A
A
A
L
K
W
V
R
E
NI
S
A
F
G
-
G
--
D
-------------
P
--
D
--
N
------------
V
--
T
V
---
F
G
E
S
A
G
G
M
S
-
I
A
A
L
L
A
M
P
A
A
K
--
G
L
F
Q
K
A
------------
I
M
E
S
G
A
S
R
---
T
------
M
----
T
-----
K
----
E
-----
Q
---
A
------------
A
------------
S
-----------------
T
----------------
A
--
A
-
A
--
F
-
L
-
Q
V
L
--
G
I
N
-
E
-------------
S
Q
L
--
D
--
R
L
--------------
H
T
V
A
A
E
D
--
L
L
-----
K
A
A
D
Q
L
R
I
A
E
------
K
----------
E
N
I
F
Q
-
L
F
F
Q
P
A
L
D
P
-
K
T
L
P
-
E
-
E
-
P
-
E
-
K
S
-------
I
A
E
G
AASG
I
P
L
L
I
G
T
T
RD
E
G
--
Y
L
F
F
T
P
D
S
D
V
H
S
Q
E
T
L
D
A
A
L
E
Y
L
L
G
K
-
P
L
A
E
K
A
A
D
L
Y
P
R
S
L
E
S
Q
I
H
M
M
T
D
L
L
F
W
R
P
A
----
V
---
A
Y
-
A
S
A
Q
S
H
---
Y
A
P
V
W
-
M
Y
R
F
D
W
H
P
E
K
P
P
Y
N
K
A
F
H
----
A
L
E
L
P
F
V
F
G
N
L
D
G
L
I
-------
T
D
E
--
V
K
Q
L
S
H
T
-------
I
Q
S
A
W
I
T
F
A
K
T
G
N
P
S
T
E
A
V
N
W
P
A
Y
H
E
E
T
R
E
T
V
I
L
D
S
E
I
T
I
E
N
D
P
E
S
E
K
R
Q
K
L
F------------
56
HHSearch
62.07
12%
-111
- C3 -
4MQL
2
A85C_MYCTU
A:
[10-281]
-----------------------------------------------------------------------------------------------------------------
V
E
Y
L
Q
V
P
S
A
S
M
G
R
D
I
K
V
Q
F
Q
G
-------------
G
G
P
H
----------
A
V
Y
L
L
D
G
------
L
RAQDDY
N
----
G
W
-----
D
----
I
--------
N
-
T
P
A
F
E
------------
E
Y
Y
Q
S
-
G
-------------
L
S
V
I
M
P
V
G
---------
G
---
Q
S
-
S
--------
F
----------
Y
T
D
-------------
W
-----------
Y
Q
P
S
-----------
Q
-----
S
N
G
QN
Y
T
Y
K
W
E
T
F
L
T
R
E
M
P
A
W
L
Q
--
A
N
K
G
-
V
--
S
-------------
P
--
T
--
G
N
-----------
A
--
A
V
---
G
L
S
M
S
G
G
S
A
--
L
I
L
A
--
A
Y
Y
P
--
Q
Q
F
P
Y
A
------------
A
S
L
S
G
F
L
N
---
P
-----
S
E
----
G
-----
W
W
P
T
-
L
-----
I
---
G
------------
L
A
M
N
D
S
GGYNANS
M
WGPSSD
P
A
W
K
R
N
DPMVQ
I
----------------
P
--
R
-
L
--
V
-
A
-
N
N
T
--
R
I
W
-
V
-------------
Y
S
G
--
N
--
G
T
PSDLGGDNIPAK
F
L
E
G
L
T
L
R
T
--
N
Q
-----
T
F
R
D
T
Y
A
A
D
--------------------
G
G
R
N
G
V
F
N
F
-
P
P
N
-
G
T
H
S
-
W
-
P
-
Y
W
N
-
E
Q
-------
L
V
A
M
----
K
A
D
I
Q
-----
H
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
HHSearch
60.39
15%
-87
- C3 -
1GKL
3
XYNY_CLOTM
A:
[42-272]
------------------------------------------------------------------------------------------------------------------
V
K
E
T
Y
T
G
I
--
N
G
T
K
S
L
N
V
Y
L
---
P
Y
G
Y
D
--
P
-
N
K
K
Y
N
----------
I
F
Y
L
M
H
G
------
G
------
G
ENEN
T
I
FSND-
V
----
K
--------
L
-
Q
N
I
L
D
------------
H
A
I
M
N
-
G
---
E
L
E
P
------
L
I
V
V
T
P
T
F
---------
N
---
G
-----------------------------------------------------------------------
G
N
C
--
T
A
Q
N
F
Y
Q
E
F
R
Q
N
V
I
P
F
V
E
--
S
K
Y
S
-
T
--
Y
AESTT
P
Q
G
I
A
A
S
R
M
--
H
--
R
------------
G
--
F
G
---
G
F
A
M
G
G
L
T
T
--
W
Y
V
M
--
V
N
C
L
--
D
Y
V
A
Y
F
------------
M
P
L
S
G
D
Y
W
---
Y
-----
G
N
----
S
-----
P
----
Q
D
K
A
N
S
I
---
A
------------
E
------------
A
-----------------
I
----------------
N
R
S
G
-
L
--
S
-
K
-
R
E
Y
--
F
V
F
-
A
-------------
A
T
G
--
S
--
E
D
--------------
I
A
--
Y
A
N
--
M
N
-----
P
Q
I
E
A
M
K
A
L
P
H
F
D
Y
T
S
D
----------
F
S
K
G
N
-
F
Y
F
L
V
-
A
P
G
-
A
T
H
W
-
W
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
SP3
60.24
7%
-69
- C3 -
1R88
-
MPT51_MYCTU
A:
[33-299]
--------------------------------------------------------------------------------------------------------------
A
A
P
Y
E
N
L
M
V
P
S
P
S
M
G
R
D
I
P
V
A
F
L
A
---
G
G
P
----------
H
----------
A
V
Y
L
L
D
A
FNAGPD
V
------
S
----
N
W
-----
V
----
T
--------
A
-
G
N
A
M
N
------------
T
L
A
G
K
-
G
-------------
I
S
V
V
A
P
A
G
---------
G
---
A
Y
-
S
--------
M
----------
Y
T
N
----------------------------------------
W
-----
E
Q
D
--
G
S
K
Q
W
D
T
F
L
S
A
E
L
P
D
W
L
A
--
A
N
R
G
-
L
--
A
-------------
P
--
G
--
G
------------
H
--
A
A
---
V
G
A
A
Q
G
G
Y
G
-
A
M
A
L
A
--
A
F
H
P
--
D
R
F
G
F
A
------------
G
S
M
S
G
F
L
Y
PSN
T
-----
T
T
----
N
-----
G
----
A
-----
I
---
A
------------
A
------------
G
-----------------
M
----------------
Q
--
Q
-
F
--
G
-
G
-
V
D
T
--
N
G
M
-
W
-------------
G
A
P
--
Q
--
L
G
--------------
R
W
K
W
H
D
P
--
W
V
-----
H
A
S
L
L
A
Q
N
N
------------------------
T
R
V
W
V
-
W
S
P
-
T
N
P
G
-
A
-
S
-
D
-
P
-
A
A
-------
M
I
G
-----------------------
Q
A
A
E
A
M
G
N
S
R
M
F
Y
N
Q
Y
R
S
-------------
V
G
G
H
------
N
G
H
F
D
F
P
A
-
S
G
D
N
--
G
W
---
G
S
----
W
A
P
---
Q
L
G
A
M
S
G
D
I
---
V
G
A
I
R
---------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
(3 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MK
K
Y
L
T
I
V
I
A
L
V
T
L
Q
S
A
F
S
Q
V
I
S
E
T
F
SSGRLNR
K
Q
KIGIYKPEKYTDRQAY
P
L
I
V
V
L
N
A
E
T
L
M
E
P
V
V
S
M
V
R
Y
Y
E
Q
FGEMP
K
C
I
V
V
G
VYEPKQE
D
V
T
V
V
E
E
VGRPI
N
E
S
A
R
F
F
E
F
V
S
A
E
L
V
P
Y
IQGKY
P
I
A
D
L
K
G
V
IASEEA
G
F
L
A
N
Y
Y
M
LAEKKP
T
F
N
M
I
V
SLNPVALPR
M
G
E
E
F
S
H
A
L
AAGVPN
R
L
F
Y
Y
M
ATADVEN
K
V
V
Y
D
K
A
I
Q
F
E
R
A
M
RSAPVHES
V
E
Y
H
F
V
D
FKGSSV
N
A
A
K
L
Q
G
I
A
Q
A
L
D
M
C
F
D
I
Y
KPIG
G
K
E
F
K
T
Q
M
E
T
L
E
T
G
I
Y
E
Y
L
E
N
K
Y
N
T
I
Y
K
QLGVKKV
P
I
L
N
D
V
M
A
T
Y
TAINSSQ
D
W
E
S
L
K
K
L
A
K
Y
V
ESNG
Y
L
KTAMP
N
F
F
L
A
E
Y
Y
E
K
IGD
D
K
K
A
L
K
T
Y
Q
K
AYTEPN
I
D
F
I
T
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D
L
I
N
E
R
I
T
H
L
Q
A
T
KRKSKHT
K
V
IEPIE
P
T
E
EVAPAQEEQNPTDESNQN
76
93.36
100%
-100
- C- -
M076
-
A:
[20-351]
-------------------
Q
V
I
S
E
T
F
S
S
G
R
L
N
R
K
Q
K
I
G
I
Y
K
P
E
K
Y
T
D
R
Q
A
Y
P
L
I
V
V
L
N
A
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T
L
M
E
P
V
V
S
M
V
R
Y
Y
E
Q
F
G
E
M
P
K
C
I
V
V
G
V
Y
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Q
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D
V
T
V
V
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E
V
G
R
P
I
N
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A
R
F
F
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F
V
S
A
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A
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L
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A
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F
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A
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Y
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L
A
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K
K
P
T
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M
I
V
S
L
N
P
V
A
L
P
R
M
G
E
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S
H
A
L
A
A
G
V
P
N
R
L
F
Y
Y
M
A
T
A
D
V
E
N
K
V
V
Y
D
K
A
I
Q
F
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R
A
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R
S
A
P
V
H
E
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V
E
Y
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F
V
D
F
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S
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N
A
A
K
L
Q
G
I
A
Q
A
L
D
M
C
F
D
I
Y
K
P
------------
L
E
T
G
I
Y
E
Y
L
E
N
K
Y
N
T
I
Y
K
Q
L
G
V
K
K
V
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M
A
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Y
T
A
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N
S
S
Q
D
W
E
S
L
K
K
L
A
K
Y
V
E
---------------------------------------------------------------------------------------------
75
93.36
100%
-100
- C- -
M075
-
A:
[20-351]
-------------------
Q
V
I
S
E
T
F
S
S
G
R
L
N
R
K
Q
K
I
G
I
Y
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R
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A
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L
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V
L
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C
I
V
V
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V
V
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G
R
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A
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A
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A
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L
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A
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F
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A
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L
A
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K
P
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M
I
V
S
L
N
P
V
A
L
P
R
M
G
E
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F
S
H
A
L
A
A
G
V
P
N
R
L
F
Y
Y
M
A
T
A
D
V
E
N
K
V
V
Y
D
K
A
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Q
F
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R
A
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R
S
A
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V
H
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V
E
Y
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F
V
D
F
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G
S
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N
A
A
K
L
Q
G
I
A
Q
A
L
D
M
C
F
D
I
Y
K
P
------------
L
E
T
G
I
Y
E
Y
L
E
N
K
Y
N
T
I
Y
K
Q
L
G
V
K
K
V
P
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L
N
D
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M
A
T
Y
T
A
I
N
S
S
Q
D
W
E
S
L
K
K
L
A
K
Y
V
E
---------------------------------------------------------------------------------------------
74
93.36
100%
-100
- C- -
M074
-
A:
[20-351]
-------------------
Q
V
I
S
E
T
F
S
S
G
R
L
N
R
K
Q
K
I
G
I
Y
K
P
E
K
Y
T
D
R
Q
A
Y
P
L
I
V
V
L
N
A
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T
L
M
E
P
V
V
S
M
V
R
Y
Y
E
Q
F
G
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C
I
V
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V
Y
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Q
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T
V
V
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G
R
P
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A
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F
F
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F
V
S
A
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L
V
P
Y
I
Q
G
K
Y
P
I
A
D
L
K
G
V
I
A
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E
E
A
G
F
L
A
N
Y
Y
M
L
A
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K
K
P
T
F
N
M
I
V
S
L
N
P
V
A
L
P
R
M
G
E
E
F
S
H
A
L
A
A
G
V
P
N
R
L
F
Y
Y
M
A
T
A
D
V
E
N
K
V
V
Y
D
K
A
I
Q
F
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R
A
M
R
S
A
P
V
H
E
S
V
E
Y
H
F
V
D
F
K
G
S
S
V
N
A
A
K
L
Q
G
I
A
Q
A
L
D
M
C
F
D
I
Y
K
P
------------
L
E
T
G
I
Y
E
Y
L
E
N
K
Y
N
T
I
Y
K
Q
L
G
V
K
K
V
P
I
L
N
D
V
M
A
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Y
T
A
I
N
S
S
Q
D
W
E
S
L
K
K
L
A
K
Y
V
E
---------------------------------------------------------------------------------------------