@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 : T0776: (2014-05-13 )
MKNSRRDFLKKGALAGFSALMIPEIAKAAVKENTSVHAPKINLKKDCVILFQGDSITDCGRDRNSNRCNTMEQFGSGYVLFTATQLLEGKAALQPKIYNRGISGNKVYQLRERWEIDCLAFQPDVLSILIGVNDYWHTLTHGYKGTVETYENDLRALLKYTKEKLPNTQIVLCEPFTLRDGAAIEDSKWYPMFDEFRKSARKLSEEFNTIFVPFQSGFDAAVKLAPARYWSNDGVHPDLPGRQLMANMWMEATGLK
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..-..----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKN
S
R
R
D
F
L
K
K
G
A
L
A
G
F
S
A
L
M
I
P
E
I
A
K
A
A
V
KENTSVHAPKIN-LKK
D
C
V
I
L
FQ-GDSITDCGRDRNS----NRC
N
T
M
E
Q
FGS
G
Y
V
L
F
T
A
T
Q
LLEGKAALQ
P
K
-
I
YNRGISGN
K
V
----------
Y
Q
----
L
R
E
RWE-----------
I
D
--
C
L
A
FQ--P-
D
V
L
S
I
L
I-GV
N
D
Y
-------------------------
W
-
H
T
----
L
---------------THG----------------------Y---------------------------KG-
T
----
V
E
T
Y
E
N
D
L
R
A
L
L
K
-
Y
T
K
E
KL-----PNT
Q
I
V
L
CEPFTL---------RDGA-----A-I--------------E---------D-S-K-WY
P
M
---
F
D
E
F
R
K
S
A
R
K
L
S
E
E-F
N
T
I
F
V
PFQSG--F-
D
--
A
A
-
V
K-L
A
P
A
--RY---WS--------------NDGV--HPDLP----
G
R
Q
L
-
M
A
N
M
-
W
-
M
EATG-LK----
41
HHSearch
98.18
32%
-98
- C1 -
4JHL
5
?
A:
[1-213]
----------------------------------------
M
K
-
I
G
S
G
E
K
L
L
F
I
-
G
D
S
I
T
D
C
G
R
A
R
P
E
----
G
E
-
G
S
F
G
A
L
G
T
G
Y
V
A
Y
V
V
G
L
L
Q
A
V
Y
P
E
L
G
I
R
-
V
V
N
K
G
I
S
G
N
T
V
----------
R
D
----
L
K
A
R
W
E
-----------
E
D
--
V
I
A
Q
K
--
P
-
D
W
V
S
I
M
I
-
G
I
N
D
V
-------------------------
W
-
R
Q
----
Y
---------------
D
L
P
----------------------
F
---------------------------
M
K
-
E
KHVY
L
D
E
Y
E
A
T
L
R
S
L
V
L
-
E
T
K
P
L
V
-----
K
--
G
I
I
L
M
T
P
F
Y
I
---------
E
G
N
E
--------------------------------
Q
-
D
-
P
-
M
R
R
T
---
M
D
Q
Y
G
R
V
V
K
Q
I
A
E
E
-
T
N
S
L
F
V
D
T
Q
A
A
--
F
-
N
--
E
V
-
L
K
-
T
L
Y
P
--
A
A
---
L
A
--------------
W
D
R
V
--
H
P
S
V
A
----
G
H
M
I
-
L
A
R
A
-
F
-
L
R
E
I
G
-
F
-----
3
PsiBlast_PDB
95.03
33%
-95
- C1 -
4JHL
5
?
A:
[9-214]
-------------------------------------------------
L
L
F
I
-
G
D
S
I
T
D
C
G
R
A
R
P
E
----
G
E
-
G
S
F
G
A
L
G
T
G
Y
V
A
Y
V
V
G
L
L
Q
A
V
Y
P
E
L
G
I
R
-
V
V
N
K
G
I
S
G
N
T
V
----------
R
D
----
L
K
A
R
W
E
-----------
E
D
--
V
I
A
Q
K
--
P
-
D
W
V
S
I
M
I
-
G
I
N
D
V
-------------------------
W
-
R
Q
----
Y
D
LPFMKE--------
K
H
V
----------------------
Y
-----------------------------------
L
D
E
Y
E
A
T
L
R
S
L
V
L
-
E
T
K
P
L
V
-----
K
G
--
I
I
L
M
T
P
F
Y
I
---------
E
G
N
-----------------------
E
---------
Q
-
D
-
P
-
M
R
R
T
---
M
D
Q
Y
G
R
V
V
K
Q
I
A
E
E
-
T
N
S
L
F
V
D
T
Q
A
A
--
F
-
N
--
E
V
-
L
K
T
L
Y
P
A
--
A
L
----
A
--------------
W
D
R
V
--
H
P
S
V
A
----
G
H
M
I
-
L
A
R
A
-
F
-
L
R
E
I
G
-
F
E
----
1
PsiBlast_PDB
93.64
34%
-100
- C1 -
3W7V
2
?
A:
[9-214]
-------------------------------------------------
L
L
F
I
-
G
D
S
I
T
D
C
G
R
A
R
P
E
----
G
E
-
G
S
F
G
A
L
G
T
G
Y
V
A
Y
V
V
G
L
L
Q
A
V
Y
P
E
L
G
I
R
-
V
V
N
K
G
I
S
G
N
T
V
----------
R
D
----
L
K
A
R
W
E
-----------
E
D
--
V
I
A
Q
K
--
P
-
D
W
V
S
I
M
I
-
G
I
N
D
V
-------------------------
W
-
R
Q
----
Y
D
LPFMKE--------
K
H
V
----------------------
Y
-----------------------------------
L
D
E
Y
E
A
T
L
R
S
L
V
L
-
E
T
K
P
L
V
-----
K
G
--
I
I
L
M
T
P
F
Y
---------------------
I
--------------
E
---------
G
-
N
-
E
-
Q
D
P
M
R
R
T
M
D
Q
Y
G
R
V
V
K
Q
I
A
E
E
-
T
N
S
L
F
V
D
T
Q
A
A
--
F
-
N
--
E
V
-
L
K
T
L
Y
P
A
--
A
L
----
A
--------------
W
D
R
V
--
H
P
S
V
A
----
G
H
M
I
-
L
A
R
A
-
F
-
L
R
E
I
G
-
F
E
----
2
PsiBlast_PDB
93.53
34%
-98
- C1 -
4JKO
5
?
A:
[9-214]
-------------------------------------------------
L
L
F
I
-
G
D
A
I
T
D
C
G
R
A
R
P
E
----
G
E
-
G
S
F
G
A
L
G
T
G
Y
V
A
Y
V
V
G
L
L
Q
A
V
Y
P
E
L
G
I
R
-
V
V
N
K
G
I
S
G
N
T
V
----------
R
D
----
L
K
A
R
W
E
-----------
E
D
--
V
I
A
Q
K
--
P
-
D
W
V
S
I
M
I
-
G
I
N
D
V
-------------------------
W
-
R
Q
----
Y
D
LPFMKE--------
K
H
V
----------------------
Y
-----------------------------------
L
D
E
Y
E
A
T
L
R
S
L
V
L
-
E
T
K
P
L
V
-----
K
G
--
I
I
L
M
T
P
F
Y
---------------------
I
--------------
E
---------
G
-
N
-
E
-
Q
D
P
M
R
R
T
M
D
Q
Y
G
R
V
V
K
Q
I
A
E
E
-
T
N
S
L
F
V
D
T
Q
A
A
--
F
-
N
--
E
V
-
L
K
T
L
Y
P
A
--
A
L
----
A
--------------
W
D
R
V
--
H
P
S
V
A
----
G
H
M
I
-
L
A
R
A
-
F
-
L
R
E
I
G
-
F
E
----
40
HHSearch
93.31
29%
-83
- C1 -
3RJT
3
?
A:
[3-214]
----------------------------------------
A
M
-
I
E
P
G
S
K
L
V
M
V
-
G
D
S
I
T
D
C
G
R
A
H
P
V
----
G
E
-
A
P
R
G
G
L
G
N
G
Y
V
A
L
V
D
A
H
L
Q
V
L
H
P
D
W
R
I
R
-
V
V
N
V
G
T
S
G
N
T
V
----------
A
D
----
V
A
R
R
W
E
-----------
D
D
--
V
M
A
L
Q
--
P
-
D
Y
V
S
L
M
I
-
G
V
N
D
V
-------------------------
W
-
R
Q
----
F
---------------
D
M
P
----------------------
L
VVER-----------------------
H
V
-
G
----
I
D
E
Y
R
D
T
L
R
H
L
V
A
-
T
T
K
P
R
-------
V
R
E
M
F
L
L
S
P
F
Y
L
---------
E
P
N
R
--------------------------------
S
-
D
-
P
-
M
R
K
T
---
V
D
A
Y
I
E
A
M
R
D
V
A
A
S
-
E
H
V
P
F
V
D
V
Q
A
E
--
F
-
D
--
R
L
-
L
A
-
H
L
N
T
--
W
V
---
L
A
--------------
P
D
R
V
--
H
P
Y
L
N
----
G
H
L
V
-
I
A
R
A
-
F
-
L
T
A
V
G
-------
4
PsiBlast_PDB
90.97
29%
-91
- C1 -
3RJT
3
?
A:
[11-215]
-------------------------------------------------
L
V
M
V
-
G
D
S
I
T
D
C
G
R
A
H
P
V
----
G
E
A
-
P
R
G
G
L
G
N
G
Y
V
A
L
V
D
A
H
L
Q
V
L
H
P
D
W
R
I
R
-
V
V
N
V
G
T
S
G
N
T
V
----------
A
D
----
V
A
R
R
W
E
-----------
D
D
--
V
M
A
L
Q
--
P
-
D
Y
V
S
L
M
I
-
G
V
N
D
V
-------------------------
W
-
R
Q
F
D
M
P
L
---------------
V
V
E
----------------------
R
---------------------------
H
V
-
G
----
I
D
E
Y
R
D
T
L
R
H
L
V
A
-
T
T
K
P
R
V
-------
R
E
M
F
L
L
S
P
F
Y
L
---------
E
P
N
R
-----
S
-
D
--------------
P
---------
M
-
R
-
K
----
T
---
V
D
A
Y
I
E
A
M
R
D
V
A
A
S
-
E
H
V
P
F
V
D
V
Q
A
E
--
F
-
D
--
R
L
-
L
A
-
H
L
N
T
--
W
V
---
L
A
--------------
P
D
R
V
--
H
P
Y
L
N
----
G
H
L
V
-
I
A
R
A
-
F
-
L
T
A
V
G
-
V
-----
43
HHSearch
75.08
21%
-71
- C1 -
3P94
1
?
A:
[3-199]
-----------------------
K
G
D
W
A
Q
F
G
R
Y
A
E
A
N
K
T
----
V
K
V
P
S
N
V
V
F
M
-
G
N
S
I
T
D
G
W
W
P
A
--------------
D
------------
S
T
F
F
I
--
R
N
N
-
F
V
D
R
G
I
S
G
Q
T
T
----------
S
E
----
M
L
V
R
F
R
-----------
Q
D
--
V
I
N
L
K
--
P
-
K
A
V
V
I
L
A
-
G
I
N
D
I
-------------------------
A
-
H
N
----------------------
N
----------------------
G
---------------------------
V
I
-
A
----
L
E
N
V
F
G
N
L
V
S
M
A
E
-
L
A
K
A
-------
N
H
I
K
V
I
F
C
S
V
L
P
A
---------
Y
D
F
P
-----
W
-
R
--------------
P
---------
G
-
M
-
Q
-
P
A
D
K
---
V
I
Q
L
N
K
W
I
K
E
Y
A
D
K
-
N
G
L
T
Y
V
D
Y
H
S
A
--
M
-
K
--
D
E
-
R
N
--
G
L
P
--
A
N
---
L
S
--------------
K
D
G
V
--
H
P
T
L
E
----
G
Y
K
I
-
M
E
K
I
-
V
-
L
E
A
I
--------
54
HHSearch
73.01
22%
-71
- C1 -
3BZW
-
?
A:
[25-260]
---------------------------------------------
Q
G
K
K
V
G
Y
I
-
G
D
S
I
T
D
P
N
C
Y
G
D
-------------
N
I
K
K
Y
W
D
F
L
K
E
W
L
G
-------
I
T
-
P
F
V
Y
G
I
S
G
R
Q
W
----------
D
D
----
V
P
R
Q
A
E
-----------
K
L
K
K
E
H
G
G
E
--
V
-
D
A
I
L
V
F
M
-
G
T
N
D
Y
-------------------------
N
-
S
S
----
V
---------------
P
I
G
----------------------
E
W
F
T
E
Q
E
E
Q
V
L
S
A
H
GEM
K
K
M
V
T
R
K
K
R
T
P
V
M
-
T
----
Q
D
T
Y
R
G
R
I
N
I
G
I
T
-
Q
L
K
K
L
F
-----
P
D
K
Q
I
V
L
L
T
P
L
H
R
---------
S
L
A
N
FGDK
N
V
-
Q
P
D
E-----------
S
Y--------
Q
-
N
-
G
-
C
G
E
Y
---
I
D
A
Y
V
Q
A
I
K
E
A
G
N
I
-
W
G
I
P
V
I
D
F
N
A
V
--
T
-
G
MN
P
M
-
V
E
-
E
Q
-
L
--
I
Y
FYD
A
G
--------------
Y
D
R
L
--
H
P
D
T
K
----
G
Q
E
R
-
M
A
R
T
-
L
-
M
Y
Q
L
L
-------
45
HHSearch
72.09
19%
-73
- C1 -
3DCI
-
?
A:
[23-226]
----------------------------------------------
M
K
T
V
L
A
F
-
G
D
S
L
T
W
G
A
D
P
A
T
G
----
L
----
R
H
P
V
E
H
R
W
P
D
V
L
E
A
E
L
-----
A
G
K
A
K
-
V
H
P
E
G
L
G
G
R
T
T
C
Y
D
D
HAGPAC
R
N
----
G
A
R
A
L
E
-----------
V
A
--
L
S
C
H
M
--
P
L
D
L
V
I
I
M
L
-
G
T
N
D
I
-------------------------
K
-
P
V
----
H
--------------------------------------------------------------------
G
G
-
R
----
A
E
A
A
V
S
G
M
R
R
L
A
Q
-
I
V
E
T
F
I
YKPRE
A
V
P
K
L
L
I
V
A
P
P
P
C
---------
V
A
G
P
-----
G
-
G
--------------
E
P--------
A
-
G
-
G
R
D
I
E
Q
---
S
M
R
L
A
P
L
Y
R
K
L
A
A
E
-
L
G
H
H
F
F
D
A
G
S
V
--
A
-
S
---------------
A
---
S
P
--------------
V
D
G
V
--
H
L
D
A
S
----
A
T
A
A
-
I
G
R
A
-
L
-
A
A
P
V
--------
27
Fugue
71.15
22%
-68
- C1 -
1IVN
1
TESA_ECOLI
A:
[1-179]
----------------------------------------------
A
D
T
L
L
I
L
-
G
D
S
L
S
A
--------------------
G
Y
R
M
S
A
S
A
A
W
P
A
L
L
N
D
K
W
S
K
T
S
-
V
V
N
A
S
I
S
G
D
T
S
----------
Q
Q
----
G
L
A
R
L
P
-----------
A
L
--
L
K
Q
H
Q
--
P
-
R
W
V
L
V
E
L
-
G
G
N
D
G
-------------------------
L
-
R
--------------------------------------------------------------------------
G
F
-
Q
----
P
Q
Q
T
E
Q
T
L
R
Q
I
L
Q
-
D
V
K
A
A
-------
N
A
E
P
L
L
M
----------------
Q
I
-----
R
-
L
--------------
P
---------
A
-
N
-
Y
-
G
R
R
Y
---
N
E
A
F
S
A
I
Y
P
K
L
A
K
E
-
F
D
V
P
L
L
P
F
-----
F
-
M
--
E
E
-
V
Y
--
L
K
P
--
Q
W
---
M
Q
--------------
D
D
G
I
--
H
P
N
R
D
----
A
Q
P
F
-
I
A
D
W
-
M
-
A
K
Q
L
Q
-
P
L
VN--
61
HHSearch
69.86
20%
-100
- C1 -
4H08
3
?
A:
[18-194]
--------------------------------------------
T
D
L
P
H
V
L
L
I
-
G
N
S
I
T
R
G
----------------------
Y
Y
G
K
----
V
E
A
A
L
K
E
K
A
---
Y
V
G
R
-
L
S
N
S
K
S
----------
V
G
D
P
A
-
L
I
E
E
L
A
-----------
V
V
--
L
K
N
T
K
--
F
-
D
V
I
H
F
N
N
-
G
L
H
G
F
-------------------------
D
-----------------------------------------------------------------------------
Y
-
T
----
E
E
E
Y
D
K
S
F
P
K
L
I
K
-
I
I
R
K
Y
A
-----
P
K
A
K
L
I
W
A
N
T
T
P
V
---------
R
T
G
E
-----
G
M
K
--------------
E
---------
F
-
A
-
P
-
I
T
E
R
---
L
N
V
R
N
Q
I
A
L
K
H
I
N
R
-
A
S
I
E
V
N
D
L
W
K
V
--
V
-
I
--
D
------
H
P
E
--
Y
Y
---
A
G
--------------
G
D
G
T
--
H
P
I
D
A
----
G
Y
S
A
-
L
A
N
Q
-
V
-
I
K
V
I
--------
50
HHSearch
69.38
21%
-80
- C1 -
3HP4
-
?
A:
[2-178]
----------------------------------------------
D
N
T
I
L
I
L
-
G
D
-
L
S
A
A
Y
G
L
--------------
Q
Q
E
E
G
W
V
K
L
L
Q
D
K
Y
D
A
E
Q
S
--
D
I
V
-
L
I
N
A
S
I
S
G
E
T
S
----------
G
G
----
A
L
R
R
L
D
-----------
A
L
--
L
E
Q
Y
E
--
P
-
T
H
V
L
I
E
L
-
G
A
N
D
G
-------------------------
L
-
R
--------------------------------------------------------------------------
G
F
-
P
----
V
K
K
M
Q
T
N
L
T
A
L
V
K
-
K
S
Q
A
A
-------
N
A
M
T
A
L
M
E
I
Y
I
P
---------
P
N
Y
---------------------------------
G
------
P
R
Y
---
S
K
M
F
T
S
S
F
T
Q
I
S
E
D
-
T
N
A
H
L
M
N
F
F
M
L
--
D
-------
I
--
A
G
K
S
--
D
L
---
M
Q
--------------
N
D
S
L
--
H
P
N
K
K
----
A
Q
P
L
-
I
R
D
E
-
M
-
Y
D
S
I
--------
51
HHSearch
68.74
15%
-71
- C1 -
3MIL
1
IAH1_YEAST
A:
[3-208]
----------------------------------------------
Y
E
K
F
L
L
F
-
G
D
S
I
T
E
F
A
F
N
T
R
P
----
I
E
---
D
G
K
D
Q
Y
A
L
G
A
A
L
V
N
E
Y
T
R
-----
K
M
D
-
I
L
Q
R
G
F
K
G
Y
T
S
----------
R
W
----
A
L
K
I
L
P
------------
E
--
I
L
K
H
E
SN
I
-
V
M
A
T
I
F
L
-
G
A
N
D
A
-------------------------
C
-
S
A
---------------------
G
P
----------------------
Q
---------------------------
S
V
-
P
----
L
P
E
F
I
D
N
I
R
Q
M
V
S
-
L
M
K
S
Y
-------
H
I
R
P
I
I
I
G
P
G
L
V
---------
D
R
E
K
-----
W
-
E
--------------
K
E
K
S
E
E
I
A
L
G
Y
-
F
-
R
-
T
N
E
N
---
F
A
I
Y
S
D
A
L
A
K
L
A
N
E
-
E
K
V
P
F
V
A
L
N
K
A
--
F
-
Q
--
Q
E
-
G
G
-
D
-
A
W
--
Q
Q
---
L
L
--------------
T
D
G
L
--
H
F
S
G
K
----
G
Y
K
I
-
F
H
D
E
-
L
-
L
K
V
I
E
-------
30
SP3
68.29
14%
-79
- C1 -
1IVN
1
TESA_ECOLI
A:
[1-179]
----------------------------------------------
A
D
T
L
L
I
L
-
G
D
S
L
S
A
G
Y
R
M
S
A
S
----
A
----------
A
W
P
A
L
L
N
D
K
------
W
S
K
T
S
-
V
V
N
A
S
I
S
G
D
T
S
----------
Q
Q
----
G
L
A
R
L
P
-----------
A
L
--
L
K
Q
H
Q
--
P
-
R
W
V
L
V
E
L
-
G
G
N
D
G
-------------------------
L
-
R
G
--------------------------------------------------------------------------
F
-
Q
----
P
Q
Q
T
E
Q
T
L
R
Q
I
L
Q
-
D
V
K
A
A
-------
N
A
E
P
L
L
M
Q
I
R
L
P
---------
A
N
Y
G
-----
R
----------------------------------
R
Y
---
N
E
A
F
S
A
I
Y
P
K
L
A
K
E
-
F
D
V
P
L
L
P
F
-----
F
-
M
--
E
E
-
V
--
Y
L
K
P
--
Q
W
---
M
Q
--------------
D
D
G
I
--
H
P
N
R
D
----
A
Q
P
F
-
I
A
D
W
-
M
-
A
K
Q
L
---
Q
PLVN
21
Fugue
67.52
19%
-67
- C1 -
3BZW
-
?
A:
[19-266]
-------------------------------------
C
I
Q
H
P
-
W
Q
G
K
K
V
G
Y
I
--
G
D
S
I
T
D
P
N
C
Y
G
D
N
----
I
K
---------
K
Y
W
D
F
L
K
E
W
L
-------
G
I
T
-
P
F
V
Y
G
I
S
G
R
Q
W
----------
D
D
----
V
P
R
Q
A
E
-----------
K
L
--
K
K
E
H
G
--
G
E
V
D
A
I
L
V
F
M
G
T
N
D
Y
N
S
SVPIGEW
F
T
E
Q
E
E
Q
V
L
S
A
H
GEM
K
K
M
V
T
----
R
---------------
K
K
R
----------------------
T
---------------------------
P
V
M
T
----
Q
D
T
Y
R
G
R
I
N
I
G
I
T
-
Q
L
K
K
L
F
-----
P
D
K
Q
I
V
L
L
T
P
L
H
R
SLANFGDK
N
V
Q
P
D
-----
E
-
S
--------------
Y
---------
Q
-
N
-
G
-
C
G
E
Y
---
I
D
A
Y
V
Q
A
I
K
E
A
G
N
I
-
W
G
I
P
V
I
D
F
N
A
V
--
T
-
G
M-
N
P
M
V
E
-
E
Q
L
I
YF
Y
D
---
A
G
--------------
Y
D
R
L
--
H
P
D
T
K
----
G
Q
E
R
M
A
R
T
L
M
Y
Q
L
L
A
L
P
-
V
A
F---
52
HHSearch
66.59
18%
-61
- C1 -
3DC7
-
?
A:
[20-221]
---------------------------------------------
S
F
K
R
P
A
W
L
-
G
D
S
I
T
A
N
N
G
L
A
---------------
T
V
H
Y
H
D
I
L
A
A
D
W
D
V
------
E
R
-
S
D
N
L
G
I
S
G
S
T
I
----------
G
S
RYDA
M
A
V
R
Y
Q
-----------
A
----
I
P
E
D
--
A
-
D
F
I
A
V
F
G
-
G
V
N
D
Y
-------------------------
G
-
R
D
----
Q
---------------
P
L
G
----------------------
Q
YG-------------------------
D
C
-
D
----
M
T
T
F
Y
G
A
L
M
M
L
L
T
-
G
L
Q
T
N
W
-----
P
T
V
P
K
L
F
I
S
A
I
H
I
---------
G
S
D
F
GGS--
F
-
S
--------------
A
---------
V
T
N
-
G
-
L
G
Y
R
---
Q
S
D
Y
E
A
A
I
A
Q
M
T
A
D
-
Y
G
V
P
H
L
S
L
Y
R
D
AG
M
-
T
--
F
A
-
I
--
P
A
Q
A
--
A
I
---
Y
S
--------------
V
D
T
L
--
H
P
N
N
A
----
G
H
R
V
-
I
A
R
K
-
L
-
Q
S
F
L
D
-------
22
Fugue
66.24
21%
-59
- C1 -
3P94
1
?
A:
[1-204]
--
G
E
K
G
D
W
A
Q
F
G
R
-----------------------
Y
A
E
A
N
K
-
T
V
K
V
P
S
N
V
V
F
M
G
N
S
I
T
D
G
W
W
P
A
D
S
----------------------------
T
F
F
I
R
N
N
-
F
V
D
R
G
I
S
G
Q
T
T
----------
S
E
M
---
L
V
R
F
R
Q
-----------
D
---
V
I
N
L
K
--
P
-
K
A
V
V
I
L
A
-
G
I
N
D
I
-------------------------
A
-
H
N
----
N
---------------
G
V
------------------------------------------------------------
I
A
L
E
N
V
F
G
N
L
V
S
M
A
E
L
A
K
A
-----
N
H
I
K
V
I
F
C
S
V
L
P
A
---------
Y
D
F
P
-----
W
----------------
R
---------
P
-
G
M
Q
-
P
A
D
K
---
V
I
Q
L
N
K
W
I
K
E
Y
A
D
K
-
N
G
L
T
Y
V
D
Y
H
S
A
M
-
K
-
D
--
E
R
-
N
G
-
L
P
A
N
-------
L
S
--------------
K
D
G
V
--
H
P
T
L
E
----
G
Y
K
I
M
E
K
I
V
-
L
-
E
A
I
H
K
T
V
K
----
60
HHSearch
66.21
16%
-76
- C1 -
1ESC
-
ESTA_STRSC
A:
[4-305]
---------------------------------------------
D
P
V
P
T
V
F
F
-
G
D
S
Y
T
A
N
F
G
I
A
P
V
TNQD
S
E
R
G
W
C
F
Q
A
K
E
N
Y
P
A
V
A
T
R
S
L
A
D
--
K
G
I
T
L
D
V
Q
A
D
V
S
C
G
G
A
L
I
----------
H
H
----
F
W
E
K
Q
E
L
P
FGA
G
E
L
P
PQ
Q
D
--
A
L
K
Q
D
--
T
-
Q
L
T
V
G
S
L
-
G
G
N
T
L
-------------------------
G
F
N
R
----
I
L
K
Q
C
S
D
ELRKPSL
L
P
G
D
P
VDGDEPAAK
C
G
E
F
F
G
TG
D
G
K
Q
W
L
---------------------------
D
D
-
Q
----
F
E
R
V
G
A
E
L
E
E
L
L
D
-
R
I
G
Y
F
A
-----
P
D
A
K
R
V
L
V
G
Y
P
R
L
V--------
P
E
D
T
TKCLT
A
-
A
PGQTQLPFADIPQD
A
---------
L
-
P
-
V
-
L
D
Q
I
---
Q
K
R
L
N
D
A
M
K
K
A
A
A
D
-
G
G
A
D
F
V
D
L
Y
A
G
--
T
-
G
--
A
N
-
T
A
-
C
D
G
A
--
D
R
---
G
I
GGLLEDSQLELLG
T
K
I
P
W
YA
H
P
N
D
K
G
R
D
I
Q
A
K
Q
-
V
A
D
K
-
I
-
E
E
I
L
N
-------
48
HHSearch
65.84
18%
-69
- C1 -
4IYJ
2
?
A:
[4-209]
---------------------
A
Q
K
Q
D
W
G
N
L
K
R
Y
A
E
A
N
K
E
L
V
R
K
G
K
Q
K
D
R
V
V
F
M
-
G
N
S
I
T
E
G
W
V
----------------------
A
N
D
A
A
F
F
E
------
D
N
G
-
Y
V
G
R
G
I
G
G
Q
T
S
----------
S
H
----
F
L
L
R
F
R
-----------
E
D
--
V
I
K
L
A
--
P
-
A
L
V
V
I
N
A
-
G
T
N
D
I
-------------------------
A
-
E
N
----------------------
A
----------------------
G
---------------------------
A
Y
-
N
----
E
E
Y
T
F
G
N
I
V
S
M
V
E
-
L
A
R
A
-------
N
K
I
K
V
I
L
T
S
V
L
P
A
---------
A
A
F
G
-----
W
-
N
--------------
P
---------
S
V
K
-
D
-
A
P
Q
K
---
I
M
Q
L
N
A
R
I
R
K
Y
A
Q
E
-
N
K
I
P
Y
V
D
Y
Y
S
E
--
M
V
E
--
G
D
-
N
K
-
A
-
L
N
--
S
S
---
Y
T
--------------
R
D
G
V
--
H
P
T
L
E
----
G
Y
K
V
-
M
E
A
L
-
I
-
K
K
A
I
D
-------
56
HHSearch
64.63
21%
-59
* C1 *
2HSJ
3
?
A:
[32-213]
--------------------------------------------
V
V
E
P
N
I
L
F
I
-
G
D
S
I
V
E
Y
Y
P
------------------------
L
Q
E
-----
L
F
G
T
S
K
T
-
I
V
N
R
G
I
R
G
Y
Q
T
----------
G
L
----
L
L
E
N
L
D
-----------
A
H
--
L
Y
G
G
A
--
V
-
D
K
I
F
L
L
I
-
G
T
N
D
I
-------------------------
G
-
K
--------------------------------------------------------------------------
D
V
-
P
----
V
N
E
A
L
N
N
L
E
A
I
I
Q
-
S
V
A
R
D
Y
-----
P
L
T
E
I
K
L
L
S
I
L
P
V
---------
N
E
R
E
-----
E
-
Y
--------------
Q
QAV------
Y
-
I
-
R
-
S
N
E
K
---
I
Q
N
W
N
Q
A
Y
Q
E
L
A
S
A
Y
M
Q
V
E
F
V
P
V
F
D
C
--
L
-
T
--
D
Q
-
A
G
--
Q
L
K
--
K
E
---
Y
T
--------------
T
D
G
L
--
H
L
S
I
A
----
G
Y
Q
A
-
L
S
K
S
-
L
-
K
D
Y
L
--------
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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKN
S
R
R
D
F
L
K
K
G
A
L
A
G
F
S
A
L
M
I
P
E
I
A
K
A
A
V
KENTSVHAPKINLKK
D
C
V
I
L
FQGDSITDCGRDRNSNRC
N
T
M
E
Q
FGS
G
Y
V
L
F
T
A
T
Q
LLEGKAALQ
P
K
I
YNRGISGN
K
V
Y
Q
L
R
E
RWE
I
D
C
L
A
FQP
D
V
L
S
I
L
IGV
N
D
Y
W
H
T
L
THGYKG
T
V
E
T
Y
E
N
D
L
R
A
L
L
K
Y
T
K
E
KLPNT
Q
I
V
L
CEPFTLRDGAAIEDSKWY
P
M
F
D
E
F
R
K
S
A
R
K
L
S
E
EF
N
T
I
F
V
PFQSGF
D
A
A
V
KL
A
P
A
RYWSNDGVHPDLP
G
R
Q
L
M
A
N
M
W
M
EATGLK
62
99.84
100%
-100
- C- -
M062
-
A:
[41-268]
----------------------------------------
I
N
L
K
K
D
C
V
I
L
F
Q
G
D
S
I
T
D
C
G
R
D
R
N
S
N
R
C
N
T
M
E
Q
F
G
S
G
Y
V
L
F
T
A
T
Q
L
L
E
G
K
A
A
L
Q
P
K
I
Y
N
R
G
I
S
G
N
K
V
Y
Q
L
R
E
R
W
E
I
D
C
L
A
F
Q
P
D
V
L
S
I
L
I
G
V
N
D
Y
W
H
T
L
T
H
G
Y
K
G
T
V
E
T
Y
E
N
D
L
R
A
L
L
K
Y
T
K
E
K
L
P
N
T
Q
I
V
L
C
E
P
F
T
L
R
D
G
A
A
I
E
D
S
K
W
Y
P
M
F
D
E
F
R
K
S
A
R
K
L
S
E
E
F
N
T
I
F
V
P
F
Q
S
G
F
D
A
A
V
K
L
A
P
A
R
Y
W
S
N
D
G
V
H
P
D
L
P
G
R
Q
L
M
A
N
M
W
M
E
A
T
G
L
K
69
99.34
100%
-101
- C- -
M069
-
A:
[41-275]
----------------------------------------
I
N
L
K
K
D
C
V
I
L
F
Q
G
D
S
I
T
D
C
G
R
D
R
N
S
N
R
C
N
T
M
E
Q
F
G
S
G
Y
V
L
F
T
A
T
Q
L
L
E
G
K
A
A
L
Q
P
K
I
Y
N
R
G
I
S
G
N
K
V
Y
Q
L
R
E
R
W
E
I
D
C
L
A
F
Q
P
D
V
L
S
I
L
I
G
V
N
D
Y
W
H
T
L
T
H
G
Y
K
G
T
V
E
T
Y
E
N
D
L
R
A
L
L
K
Y
T
K
E
K
L
P
N
T
Q
I
V
L
C
E
P
F
T
L
R
D
G
A
A
I
E
D
S
K
W
Y
P
M
F
D
E
F
R
K
S
A
R
K
L
S
E
E
F
N
T
I
F
V
P
F
Q
S
G
F
D
A
A
V
K
L
A
P
A
R
Y
W
S
N
D
G
V
H
P
D
L
P
G
R
Q
L
M
A
N
M
W
M
E
A
T
G
L
K
74
97.32
100%
-100
- C- -
M074
-
A:
[41-268]
----------------------------------------
I
N
L
K
K
D
C
V
I
L
F
Q
G
D
S
I
T
D
C
G
R
D
R
N
S
N
R
C
N
T
M
E
Q
F
G
S
G
Y
V
L
F
T
A
T
Q
L
L
E
G
K
A
A
L
Q
P
K
I
Y
N
R
G
I
S
G
N
K
V
Y
Q
L
R
E
R
W
E
I
D
C
L
A
F
Q
P
D
V
L
S
I
L
I
G
V
N
D
Y
W
H
T
L
T
H
G
Y
K
G
T
V
E
T
Y
E
N
D
L
R
A
L
L
K
Y
T
K
E
K
L
P
N
T
Q
I
V
L
C
E
P
F
T
L
R
D
G
A
A
I
E
D
S
K
W
Y
P
M
F
D
E
F
R
K
S
A
R
K
L
S
E
E
F
N
T
I
F
V
P
F
Q
S
G
F
D
A
A
V
K
L
A
P
A
R
Y
W
S
N
D
G
V
H
P
D
L
P
G
R
Q
L
M
A
N
M
W
M
E
A
T
G
L
K
76
93.72
100%
-78
- C- -
M076
-
A:
[24-271]
-----------------------
E
I
A
K
A
A
V
K
E
N
T
S
V
H
A
P
K
I
N
L
K
K
D
C
V
I
L
F
Q
G
D
S
I
T
D
C
G
R
D
R
N
S
N
R
C
N
T
M
E
Q
F
G
S
G
Y
V
L
F
T
A
T
Q
L
L
E
G
K
A
A
L
Q
P
K
I
Y
N
R
G
I
S
G
N
K
V
Y
Q
L
R
E
R
W
E
I
D
C
L
A
F
Q
P
D
V
L
S
I
L
I
G
V
N
D
Y
W
H
T
L
T
H
G
Y
K
G
T
V
E
T
Y
E
N
D
L
R
A
L
L
K
Y
T
K
E
K
L
P
N
T
Q
I
V
L
C
E
P
F
T
L
R
D
G
A
A
I
E
D
S
K
W
Y
P
M
F
D
E
F
R
K
S
A
R
K
L
S
E
E
F
N
T
I
F
V
P
F
Q
S
G
F
D
A
A
V
K
L
A
P
A
R
Y
W
S
N
D
G
V
H
P
D
L
P
G
R
Q
L
M
A
N
M
W
M
E
A
T
G
L
K