@tome V2.1
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Doc.
Global output mode :
Group 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
Selected Ligands Contact
Catalytic Site Atlas
Show alignment :
Best alignments
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
Structural Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Modeller Score
Verify3D Model Score
QMean Model Score
Hide column
Complexes Prediction
Show Ligands of Templates
Comparative Docking Score
Virtual Screening Score
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Comparative Docking Tab
Atome Color :
Mutated
Helix
Strand
Conserved
Query sequence : >T0737: (2012-07-03 )
MSLSKQVVPTHRVEIAPNSESTCKMDHSNYQHNGLITKIWGTAGWTFNHAVTFGYPLNPTSDDKRRYKNYFISLGDVLPCRLCRESYKKFITTGKTALTNEVLRNRHTLTKWFYDVHNAVNNKLEVDYGLSYEDVVNKYESFRAKCGKPVPTVKGCVTPLDHKAFSFKKLYYMDAPIVSLDKVENFVRIARMRGISDKYFCFLELATVLNGDFNELKKQSSWEYRNKYCQKKIRHMRENAIPSIEEQGYWKGTPTIDELKLLLFLCSNLNRTEVNDAINNVERLESTHYIEN
Atome Classification :
.........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.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------MSLSKQVVPTHRV--EIAPNSESTCKM--DHSNYQHNGLITKI---W----GTAGWTFNH----AVTFGYPL--------NPTS------DDKRRYKNYFISL---GDV------LP----C-----RLCR------ESY-KKFITTGKT----------A------LTN----EVLRNRHTLTKWFYDVHNA--------------------VNNKLE---VD--YGLSY-EDVVNKYE--SFRAK------------CGKPVPTVK----GC-----VTP----LDHKAFSFKKL------Y---YMDAPIVSLDKVENFVRIARMR------GI-----------SDK------YFCFLELATVLN-----GD---------FNELKKQS------------SW---------EYRNKY--CQKKIRHM-RENAI-----------PSIEEQ-----------------GY-------------WKGTPT--IDELKLL--LFLC----------SNL-------------NR--T----EVNDAINNVERLESTHYIEN----------------
2
PsiBlast
92.64
100%
-84.19
- C4 -
3GWN
3
YR596_MIMIV
B:
[2-113]
-------------------------------------------
N
G
L
I
T
K
I
---
W
----
G
T
A
G
W
T
F
N
H
----
A
V
T
F
G
Y
P
L
--------
N
P
T
S
------
D
D
K
R
R
Y
K
N
Y
F
I
S
L
---
G
D
V
------
L
P
----
C
-----
R
L
C
R
------
E
S
Y
-
K
K
F
I
T
T
G
K
T
----------
A
------
L
T
N
----
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
--------------------
V
N
N
K
L
E
---
V
D
--
Y
G
L
S
Y
-
E
D
V
V
N
K
Y
E
--
S
F
R
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
91.14
100%
-85.42
- C4 -
3GWN
4
YR596_MIMIV
A:
[2-113]
-------------------------------------------
N
G
L
I
T
K
I
---
W
----
G
T
A
G
W
T
F
N
H
----
A
V
T
F
G
Y
P
L
--------
N
P
T
S
------
D
D
K
R
R
Y
K
N
Y
F
I
S
L
---
G
D
V
------
L
P
----
C
-----
R
L
C
R
------
E
S
Y
-
K
K
F
I
T
T
G
K
T
----------
A
------
L
T
N
----
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
--------------------
V
N
N
K
L
E
---
V
D
--
Y
G
L
S
Y
-
E
D
V
V
N
K
Y
E
--
S
F
R
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
73.63
25%
-47.75
- C4 -
3GWL
1
FLSO_ASFB7
A:
[3-103]
----------------------------------------------
H
M
L
H
---
W
----
G
P
K
Y
W
R
S
L
H
----
L
Y
A
I
F
F
S
D
--------
A
P
S
W
------
K
E
K
Y
E
A
I
Q
W
I
L
N
F
---
I
E
S
------
L
P
----
C
-----
T
R
C
Q
------
H
H
A
-
F
S
Y
L
T
K
N
P
L
----------
T
---------------
L
N
N
S
E
D
F
Q
Y
W
T
F
A
F
H
N
N
--------------------
V
N
N
R
L
N
---
K
K
--
I
-
I
S
W
-
S
E
Y
K
N
I
Y
E
--
Q
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
73.44
21%
-32.13
- C4 -
1OQC
1
ALR_RAT
A:
[13-124]
-----------------------------------------
E
D
C
P
Q
D
R
E
E
---
L
----
G
R
N
T
W
A
F
L
H
----
T
L
A
A
Y
Y
P
D
--------
M
P
T
P
------
E
Q
Q
Q
D
M
A
Q
F
I
H
I
F
---
S
K
F
------
Y
P
----
C
-----
E
E
C
A
------
E
D
I
-
R
K
R
I
D
R
S
Q
P
----------
D
---------------
T
S
T
R
V
S
F
S
Q
W
L
C
R
L
H
N
E
--------------------
V
N
R
K
L
G
---
K
P
--
D
-
F
D
C
-
S
R
V
D
E
R
W
R
DG
W
K
D
G
S
------------
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
72.72
20%
-54.73
- C4 -
1JR8
1
ERV2_YEAST
A:
[4-108]
-------------------------------------------
D
D
K
V
K
K
E
---
V
----
G
R
A
S
W
K
Y
F
H
----
T
L
L
A
R
F
P
D
--------
E
P
T
P
------
E
E
R
E
K
L
H
T
F
I
G
L
Y
---
A
E
L
------
Y
P
----
C
-----
G
E
C
S
------
Y
H
F
-
V
K
L
I
E
K
Y
P
V
----------
Q
---------------
T
S
S
R
T
A
A
A
M
W
G
C
H
I
H
N
K
--------------------
V
N
E
Y
L
K
---
K
D
--
I
-
Y
D
C
-
A
T
I
L
E
D
-----
Y
D
C
G
------------
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
SP3
72.03
8%
-22.40
- C4 -
1OQC
1
ALR_RAT
A:
[13-124]
-----------------------------------------
E
D
C
P
Q
D
R
E
E
---
L
----
G
R
N
T
W
A
F
L
H
----
T
L
A
A
Y
Y
P
D
--------
M
P
T
P
------
E
Q
Q
Q
D
M
A
Q
F
I
H
I
F
---
S
K
F
------
Y
P
----
C
-----
E
E
C
A
------
E
D
I
-
R
K
R
I
D
R
S
Q
P
----------
D
------
T
S
---------
T
R
V
S
F
S
Q
W
L
C
R
L
H
N
E
--------------------
V
N
R
K
L
G
---------
K
P
D
-
F
D
C
S
R
V
D
E
--
R
W
R
D
G
------------
W
K
D
G
S
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
71.87
23%
-36.14
- C4 -
2HJ3
9
ERV1_ARATH
A:
[7-107]
--------------------------------------------
P
V
T
K
E
D
---
L
----
G
R
A
T
W
T
F
L
H
----
T
L
A
A
Q
Y
P
E
--------
K
P
T
R
------
Q
Q
K
K
D
V
K
E
L
M
T
I
L
---
S
R
M
------
Y
P
----
C
-----
R
E
C
A
------
D
H
F
-
K
E
I
L
R
S
N
P
A
----------
Q
---------------
A
G
S
Q
E
E
F
S
Q
W
L
C
H
V
H
N
T
--------------------
V
N
R
S
L
G
---
K
L
V-
F
P
C
E
R
-
V
D
A
R
W
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
Fugue
71.65
21%
-39.72
- C4 -
1JR8
1
ERV2_YEAST
A:
[4-108]
-------------------------------------------
D
D
K
V
K
K
E
---
V
----
G
R
A
S
W
K
Y
F
H
----
T
L
L
A
R
F
P
D
--------
E
P
T
P
------
E
E
R
E
K
L
H
T
F
I
G
L
Y
---
A
E
L
------
Y
P
----
C
-----
G
E
C
S
------
Y
H
F
-
V
K
L
I
E
K
Y
P
V
----------
Q
------
T
---------
S
S
R
T
A
A
A
M
W
G
C
H
I
H
N
K
--------------------
V
N
E
Y
L
---------
K
K
D
I
-
Y
D
C
A
T
I
L
E
--
D
Y
D
C
G
------------
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
70.27
23%
-28.64
- C4 -
3MBG
12
ALR_HUMAN
A:
[28-139]
------------------------------------------
D
C
P
P
D
R
E
E
---
L
----
G
R
H
S
W
A
V
L
H
----
T
L
A
A
Y
Y
P
D
--------
L
P
T
P
------
E
Q
Q
Q
D
M
A
Q
F
I
H
L
F
---
S
K
F
------
Y
P
----
C
-----
E
E
C
A
------
E
D
L
-
R
K
R
L
A
R
N
H
P
----------
D
---------------
T
R
T
R
A
A
F
T
Q
W
L
C
H
L
H
N
E
--------------------
V
N
R
K
L
G
---
K
P
D-
F
D
C
S
K
-
V
D
E
R
W
R
D
G
--
W
K
D
G
S
------------
C
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
65.10
13%
-23.60
- C4 -
3LLK
2
QSOX1_HUMAN
A:
[99-257]
--------------------------------
L
A
--
K
K
V
N
W
I
G
C
Q
G
S
E
P
H
FRG
F
----
P
C
S
L
W
V
L
F
H
----
F
L
T
V
Q
A
A
R
--------
Q
---------
K
A
K
E
V
L
P
A
I
R
G
Y
V
---
H
Y
F
------
F
G
----
C
-----
R
D
C
A
------
S
H
F
-
E
Q
M
A
A
A
S
M
H
----------
R
---------------
V
G
S
P
N
A
A
V
L
W
L
W
S
S
H
N
R
--------------------
V
N
A
R
L
A
---
G
A
PS
E
D
P
Q
F
-
P
K
V
Q
W
P
P
R
--
E
L
C
S
A
------------
C
H
N
E
---
R
L
----
D
V
-----
P
V
W
----
D
V
E
A
T
L
N
F
L
K
A
------
H
---
F
S
P
S
N
I
I
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
SP3
62.13
7%
-43.19
- C4 -
1JR8
1
ERV2_YEAST
A:
[4-108]
-------------------------------------------
D
D
K
V
K
K
E
---
V
----
G
R
A
S
W
K
Y
F
H
----
T
L
L
A
R
F
P
D
--------
E
P
T
P
------
E
E
R
E
K
L
H
T
F
I
G
L
Y
---
A
E
L
------
Y
P
----
C
-----
G
E
C
S
------
Y
H
F
-
V
K
L
I
E
K
Y
P
V
----------
Q
------
T
S
---------
S
R
T
A
A
A
M
W
G
C
H
I
H
N
K
--------------------
V
N
E
Y
L
K
---------
K
D
I
-
Y
D
C
A
T
I
L
E
--
D
Y
D
C
G
------------
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
SP3
49.74
8%
-21.71
- C3 -
1LUC
5
LUXB_VIBHA
B:
[1-320]
M
K
F
G
L
F
F
L
N
F
M
N
S
K
R
S
S
D
Q
V
I
E
E
M
L
D
T
A
H
Y
V
D
Q
L
KF
D
T
L
A
V
Y
E
N
H
F
S
N
N
G
---
V
----
V
G
A
P
L
T
V
A
G
----
F
L
L
G
M
T
K
N
A
K
V
A
SLNH
V
I
T
T
------
H
H
P
V
R
V
A
E
E
A
C
L
L
---
D
Q
M
------
S
E
GR
F
A
F
-----
G
F
S
D
------
C
E
K
-
S
A
D
M
R
F
F
--------------------
N
R
----
P
T
D
S
Q
F
Q
L
F
S
E
C
H
K
I
I
N
D
A
--------------------
F
T
T
--
G
---
Y
C
--
H
P
N
N
D
-
F
--
Y
S
F
P
K
--
I
S
V
----------------
N
P
H
A
F
T
E
----
G
G
-----
P
A
Q
F
V
N
A
T
S
K
E
V
V
E
W
A
A
K
------
L
G
L
P
L
V
F
R
W
D
D
S
N
A
Q
R
K
E
Y
A
G
L
Y
H
E
V
A
Q
A
H
GV
D
V
-----------
S
Q
V
------
R
H
K
-
L
T
L
L
V
N
Q
N
-----
V
D
---------
G
E
A
A
R
A
E
-------------
A
R
---------
V
Y
L
E
E
F
--
V
R
E
S
Y
S
N
T
D
F
E
Q
K
M
-----------
G
E
L
L
S
E
-----------------
N
A
-------------
I
-
G
T
Y
E
E
S
T
Q
A
A
R
V
A
--
I
E
C
C
GAA
D
L
L
M
S
FE
S
M
E
-------------
D
K
--
A
----
Q
Q
R
A
V
I
D
V
V
N
A
----
N
I
V
------------------
41
SP3
49.17
10%
-25.21
- C3 -
1XDW
-
?
A:
[1-331]
-------
M
K
V
L
C
Y
G
V
R
D
V
E
L
--
P
I
F
E
A
C
N
K
E
F
G
Y
--
D
I
K
C
V
P
D
Y
L
N
T
K
E
T
---
A
E
MAA
G
------
F
D
----
A
V
I
L
R
G
N
C
--------
F
A
N
K
------
Q
N
L
D
I
Y
K
K
-----------------
L
G
----
V
-----
K
Y
I
L
T
RTAGT
D
H
I
D
K
E
Y
A
K
E
L
G
F
----------
P
------
M
A
F
----
V
P
R
Y
S
P
N
A
I
A
E
L
A
V
T
Q
A
M
M
--------------------
L
L
R
H
T
A
Y
T
T
S
R
--
T
A
K
K
N
-
F
K
V
D
A
F
M
--------------------
F
S
K
E
V
R
N
C
T
V
G
V
V
G
------
L
G
R
----
I
G
R
V
A
A
Q
I
F
H
G
M
GAT
V
I
G
---
E
D
V
F
E
I
K
G
I
E
D
Y
C
T
Q
V
S
L
D
E
V
L
------
E
K
-----------
S
D
----------
I
I
T
I
H
A
P
Y
I
-----
K
E
NGAVVT
R
D
F
L
K
K
M
K
D
G
A
I
L
V
N
C-------
A
------------
R
G
Q
L
VD
T
E
A
V
I
E
A
V
-
E
S
G
K
L
G
G
Y
G
C
DVLDGE
A
S
V
F
G
K
-----------------
D
L
-------------
E
G
Q
K
L
E
--
N
P
L
F
E
K
L
--
V
D
L
Y
----------
P
R
V
L
I
T
PHLGSYT
D
E
A
V
K
--
N
----
M
V
E
V
S
Y
Q
N
L
K
D
L
A
E
T
G
D
C
P
N
KIK-------------
40
SP3
47.13
11%
-32.91
- C1 -
1W55
4
ISPDF_CAMJE
A:
[2-370]
--------------
S
E
M
S
L
I
--
M
L
A
A
G
N
S
T
R
F
N
T
--
K
-
V
K
K
Q
F
L
R
L
G
-----------
N
D
P
--
L
W
L
Y
----
A
T
K
N
L
S
S
F
--------
Y
P
F
K
K
I
V
V
T
S
S
N
I
T
Y
M
K
K
F
T
K
N
Y
---
E
F
I
------
E
G
----
G
-----
D
T
R
A
------
E
S
L
-
K
K
A
L
E
L
I
D
S
----------
E
F
V
M
V
S
D
V
A
R
----
V
L
V
S
--
K
N
L
F
D
R
L
I
E
N
L
D
K
AD
C
I
T
P
A
L
K
V
ADTTLFDNEA
L
Q
R
E
K
I
---
K
L
--
I
Q
T
P
Q
I
S
K
T
K
L
L
K
K
--
A
L
D
Q
N
LEFTD
D
S
T
A
I
A
A
M
G
G
K
I
W
F
V
E
----
G
E
ENARK
L
T
F
----
K
E
D
---
L
K
K
L
D
------
L
---
P
T
P
S
F
E
I
F
T
G
N
G
F
D
V
H
E
F
G
E
N
R
P
L
L
L
A-
G
V
QIHPTM
G
L
K
A
H
S
D
G
------
D
V
L
A
H
S
L
T
D
A
I
L
G
A
A
GL
G
D
---------
I
G
E
L
Y
P
D
T
------------
D
M
---------
K
F
K
N
A
N
--
S
M
E
L
L
K
Q
A
-
Y
D
K
---------------
V
R
E
I
-----------------
G
F
E
L
I
N
I
D
I
C
V
M
A
QS
P
K
L
K
D
F
--
K
Q
A
M
Q
S
N
--
I
A
H
T
----------
L
D
L
-------------
D
E
--
F
----
R
I
N
V
K
A
T
T
T
E
K
L
G
F
I
G
R
K
E
G
M
A
V
L
S
S
V
N
L
K
Y
FDWTR
10
PsiBlast
47.12
26%
-54.52
- C4 -
3GWL
1
FLSO_ASFB7
A:
[7-101]
-----------------------------------------------------
W
----
G
P
K
Y
W
R
S
L
H
----
L
Y
A
I
F
F
S
D
--------
A
P
S
W
------
K
E
K
Y
E
A
I
Q
W
I
L
N
F
---
I
E
S
------
L
P
----
C
-----
T
R
C
Q
------
H
H
A
-
F
S
Y
L
T
--
K
N
----------
P
------
L
T
-------
L
N
N
S
E
D
F
Q
Y
W
T
F
A
F
H
N
N
--------------------
V
N
N
R
L
N
---
K
K
--
I
-
I
S
W
-
S
E
Y
K
N
I
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
SP3
43.58
7%
-25.11
* C3 *
1GDH
1
DHGY_HYPME
A:
[1-320]
----------
K
K
K
I
L
I
T
W
P
L
P
E
A
A
M
A
R
A
R
E
S
Y
D
V
--
I
A
H
G
D
D
P
-
K
I
T
I
D
E
---
M
----
I
E
T
A
-
K
S
V
D
----
A
L
L
I
T
L
N
E
--------
K
C
R
K
------
E
V
I
D
R
I
P
E
N
I
K
C
I
---
S
T
Y
SIGFDH
I
D
------------------------
L
D
A
C
K
A
R
G
I
----------
K
------
V
G
N
A
PHG
V
T
V
A
T
A
E
I
A
M
L
L
L
L
G
S
A
R
R
--------------------
A
G
E
G
E
----
K
M
--
I
R
T
R
S
-
W
P
G
W
E
P
L
E
--
L
V
G
E
K
------------
L
D
N
K
T
L
G
I
Y
----
G
------
F
G
S
----
I
G
Q
A
L
A
K
R
A
Q
G
-----------
F
D
M
D
I
D
Y
F
D
T
H
R
A
S
S
S
D
E
A
S
Y
------
Q
A
-----------------------------
T
F
H
-----
D
S
---------
L
D
S
L
L
S
V
S
------------
Q
F
F
S
L
N
A
P
S
T
P
E
T
R
Y
F
F
--
N
K
A
T
I
K
S
L
-
P
Q
G
A
I
V
V
N
TARG----
D
L
V
D
N
E
L
V
V
A
A
L
E
A
GRLA
Y
A
G
F
D
V
F
-------------
A
G
E
P
N
I
--
N
E
G
Y
Y
D
L
PN
T
F
L
F
----------
P
H
I
GSAA
T
Q
A
------
R
E
--
D
----
M
A
H
Q
A
N
D
L
I
D
A
L
F
G
G
A
D
M
S
Y
ALA-------------
3
PsiBlast
43.38
29%
-29.17
- C4 -
2HJ3
8
ERV1_ARATH
A:
[14-92]
----------------------------------------------------------
G
R
A
T
W
T
F
L
H
----
T
L
A
A
Q
Y
P
E
--------
K
P
T
R
------
Q
Q
K
K
D
V
K
E
L
M
T
I
L
---
S
R
M
------
Y
P
----
C
-----
R
E
C
A
------
D
H
F
-
K
E
I
L
R
S
N
P
A
----------
Q
------
A
G
S
----
Q
-----
E
E
F
S
Q
W
L
C
H
V
H
N
T
--------------------
V
N
R
S
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
SP3
42.59
8%
-32.27
- C3 -
1GCO
1
DHG_BACME
A:
[1-261]
-----MY
K
D
L
E
G
K
------
V
--
V
V
I
T
G
S
S
T
-------------------
G
---
L
----
G
K
S
M
A
I
R
F
A
T
E
K
A
K
V
V
V
N
Y
----------
R
S
K
E
------
D
E
A
N
S
V
L
E
E
I
K
K
V
G
G
E
A
I
A
------
V
K
----
G
D
VTV
E
S
D
V
I
------
N
L
V
-
Q
S
A
I
K
E
F
G
K
LD
V
M
I
NN
A
G
L
E
------
N
P
V
----
S
S
H
E
M
S
L
S
D
W
N
K
V
I
D
T
------------------------
N
---------------------------------------------------
L
T
----
G
A
-----
F
-
L
----
G
S
R
E
A
I
K
Y
F
V
E
------
N
---
D
I
K
G
T
V
I
N
M
------
S
S
V
H
E
K
I
------
P
W
-----------
P
L
F
V
H
Y
A
A
S
K
G
G
M
K
L
M
T
E
T
L
-----------------
A
L
E
Y
A
P
K
G
I
R
V
N
N
I
G
P
G
AIN
T
P
---------
I
N
A
E
K
F
--
A
D
P
E
Q
R
A
D
-
V
E
S
M
I
-----------
P
----
M
-----------------
G
Y
-------------
I
-
G
E
P
---
E
E
I
A
A
V
A
--
A
W
L
A
----------
S
S
E
-------------
A
S
YV
T
G
I
T
L
F
A
D
G
G
M
T
Q
Y
P
S
F
Q
A
G
R
G
-------------------
8
PsiBlast
41.53
22%
-45.48
- C4 -
1JR8
1
ERV2_YEAST
A:
[7-93]
----------------------------------------------
V
K
K
E
---
V
----
G
R
A
S
W
K
Y
F
H
----
T
L
L
A
R
F
P
D
--------
E
P
T
P
------
E
E
R
E
K
L
H
T
F
I
G
L
Y
---
A
E
L
------
Y
P
----
C
-----
G
E
C
S
------
Y
H
F
-
V
K
L
I
E
K
Y
P
V
----------
Q
------
T
S
---------
S
R
T
A
A
A
M
W
G
C
H
I
H
N
K
--------------------
V
N
E
Y
L
K
---
K
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast
40.69
26%
-26.66
- C4 -
1OQC
1
ALR_RAT
A:
[23-101]
----------------------------------------------------------
G
R
N
T
W
A
F
L
H
----
T
L
A
A
Y
Y
P
D
--------
M
P
T
P
------
E
Q
Q
Q
D
M
A
Q
F
I
H
I
F
---
S
K
F
------
Y
P
----
C
-----
E
E
C
A
------
E
D
I
-
R
K
R
I
D
R
S
Q
P
----------
D
------
T
S
T
----
R
V
-----
S
F
S
Q
W
L
C
R
L
H
N
E
--------------------
V
N
R
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
.........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)
MSLSKQVVPTHRVEIAPNSESTCKMDHSNYQHNGLITKIWGTAGWTFNHAVTFGYPLNPTSDDKRRYKNYFISLGDVLPCRLCRESYKKFITTGKTALTNEVLRNRHTLTKWFYDVHNAVNNKLEVDYGLSYEDVVNKYESFRAKCGKPVPTVKGCVTPLDHKAFSFKKLYYMDAPIVSLDKVENFVRIARMRGISDKYFCFLELATVLNGDFNELKKQSSWEYRNKYCQKKIRHMRENAIPSIEEQGYWKGTPTIDELKLLLFLCSNLNRTEVNDAINNVERLESTHYIEN
51
88.21
100%
-81.76
- C- -
M051
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
43
88.18
100%
-81.45
- C- -
M043
-
A:
[31-148]
------------------------------
Q
H
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
61
87.54
100%
-81.45
- C- -
M061
-
A:
[31-148]
------------------------------
Q
H
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
46
87.30
100%
-84.35
- C- -
M046
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
58
87.08
100%
-84.35
- C- -
M058
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
64
86.65
100%
-84.35
- C- -
M064
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
45
86.61
100%
-84.06
- C- -
M045
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
50
86.50
100%
-85.44
- C- -
M050
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
44
86.50
100%
-82.20
- C- -
M044
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
56
86.28
100%
-82.20
- C- -
M056
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
47
86.21
100%
-88.00
- C- -
M047
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
55
86.03
100%
-81.40
- C- -
M055
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
63
85.95
100%
-84.06
- C- -
M063
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
49
85.87
100%
-85.46
- C- -
M049
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
62
85.85
100%
-82.20
- C- -
M062
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
65
85.77
100%
-88.00
- C- -
M065
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
59
85.08
100%
-93.11
- C- -
M059
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
57
84.86
100%
-80.32
- C- -
M057
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
54
84.46
100%
-78.80
- C- -
M054
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
60
84.27
100%
-80.40
- C- -
M060
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
53
84.22
100%
-87.15
- C- -
M053
-
A:
[33-146]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
48
84.06
100%
-82.51
- C- -
M048
-
A:
[31-148]
------------------------------
Q
H
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------
52
83.89
100%
-84.92
- C- -
M052
-
A:
[33-144]
--------------------------------
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
----------------------------------------------------------------------------------------------------------------------------------------------------
66
83.63
100%
-82.51
- C- -
M066
-
A:
[31-148]
------------------------------
Q
H
N
G
L
I
T
K
I
W
G
T
A
G
W
T
F
N
H
A
V
T
F
G
Y
P
L
N
P
T
S
D
D
K
R
R
Y
K
N
Y
F
I
S
L
G
D
V
L
P
C
R
L
C
R
E
S
Y
K
K
F
I
T
T
G
K
T
A
L
T
N
E
V
L
R
N
R
H
T
L
T
K
W
F
Y
D
V
H
N
A
V
N
N
K
L
E
V
D
Y
G
L
S
Y
E
D
V
V
N
K
Y
E
S
F
R
A
K
C
--------------------------------------------------------------------------------------------------------------------------------------------------