@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : O4C46_HUMAN: (2016-01-12 )
MENRNNMTEFVLLGLTENPKMQKIIFVVFFVIYIITVVGYVLIVVTITASPSLGSPMYLSLAYLSFIDACYSSVNTPNLITHSLYGKKAILFNGCMTQVFGEHFFGGAEGILLTVMAYDHYVAICKPLHYMTIMNQCVCALLMGVVWMGGFLHATIQILFIFQLPFCGPNVIDHFMCDLNPLLNLACTDTHMLELFIAANSGFICLLNFALLLVSYVVILCSLRTHSLEARHKALSTCVSHITVVILFFVPCIFVYMRPAATLPIDKAVAIFYTMITPMLNPLIYTLKNAQMKNAIRKLCSRKDISGDK
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.......------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------------------------------------------MENRNN-M
T
E
-
F
V
L
L
GLTE---------------N----------------P
K
M
Q
K
I
I
--------------
F
V
V
F
F
V
I
Y
I
I
T
V
V
G
-
Y
V
-----
L
I
V
V
T
I
TASPSLGS
P
M
Y
L
S
L
A
Y
L
-
S
F
I
D
A
C
Y
SSVN-TP-------------
N
L
I
T
H
S
LY-G
K
K
A
I
L
-FN
G
C
M
T
Q
V
F
G
E
-
H
FFGGAE
G
I
L
----
L
-----
T
V
MAYD
H
Y
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K
-
P
L
------
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T
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---
M
N
Q
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L
L
M
G
V
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W
M
G
G
-------------
F
L
H
-
A
T
------
I
Q
I
L
-
F
I
F
Q--LP-----FC-
G
P
N
V
I
D
H
-
F
M
C
D
--
L
N
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---
L
L
N
LACTDT
H
--
M
L
--------
E
L
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I
AANSG-----
F
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L
L
N
-
F
A
L
L
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V
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SL--RTH-
S
L
E
---------------------
A
---------
R
H
-
K
A
L
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MRP-------A--A--------T-----L-------------P---
I
D
K
---------
A
V
A
-----
I
F
------
Y
T
M
I
T
P
M
L
N
P
L
I
Y
T
L
K
N
A
Q
M
K
N
A
I
R
K
L
--CSRKDISGDK------------------------------------------------------------
83
HHSearch
85.42
18%
-148
* C4 *
2KS9
1
NK1R_HUMAN
A:
[34-324]
-----------------------------------------------------------------------------------------------------------------------------
L
W
--------------
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
-
N
V
-----
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
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N
Y
F
L
V
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L
-
A
F
A
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M
A
A
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N
-
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-------------
V
N
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-
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----
M
-----
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L
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-------------
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L
L
-
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Y
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--
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-----------
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S
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--
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---
P
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---
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I
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Y
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--------
K
V
Y
H
I
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T
V
-----
L
I
Y
F
L
P
-
L
L
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Y
A
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V
G
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W
A
S
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P
GDSSDRYH
E
Q
V
S
---------
A
---------
K
R
-
K
V
V
K
M
M
I
V
V
V
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--
T
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A
----
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H
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F
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L
L
P
-------
Y
--
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--------
N
PDLYL
K
-------------
K
FI
Q
Q
V
Y
---------
L
A
I
-----
M
W
------
L
A
M
S
S
T
M
Y
N
P
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C
L
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R
F
R
L
G
F
K
H
A
--
F
R
C
C
P
F
I
S
A
G
------------------------------------------------------------
86
HHSearch
84.47
17%
-142
- C4 -
2Z73
5
OPSD_TODPA
A:
[33-334]
--------------------------------------------------------------------------------------------------------------------------
V
Y
Y
S
L
--------------
G
I
F
I
G
I
C
G
I
I
G
C
G
G
-
N
G
-----
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
G
F
P
-------------
L
M
T
I
S
C
F
L
-
K
K
W
I
F
G
-
F
A
A
C
K
V
Y
G
F
I
G
-
G
I
F
G
F
M
S
I
M
T
----
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
-
G
W
G
A
--
Y
T
----------
L
E
G
V
L
-
C
N
C
S
--
F
D
Y
---
I
S
-----
R
D
S
--
T
T
--------
R
S
N
I
L
C
M
F
I
-----
L
G
F
F
G
P
-
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
--
S
N
H
-
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
---------
E
M
-
R
L
A
K
I
S
I
V
I
V
S
--
Q
F
L
----
L
S
W
S
P
Y
A
V
V
A
L
L
A
-------
Q
--
F
--------
G
PLEWV
T
-------------
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
1
PsiBlast_PDB
80.39
20%
-135
- C4 -
2ZIY
2
OPSD_TODPA
A:
[59-327]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
-
G
F
-------------
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
--
K
V
Y
G
---
F
I
G
G
I
F
G
F
M
S
I
M
T
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
--------------
G
W
-
G
A
Y
T
L
E
G
-
V
L
C
N
C
S
F
D
Y
---
I
S
R
D
S
T
T
R
S
N
--
I
L
--------
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
-
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
R
L
N
-
A
K
E
---------------------
L
---------
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
--
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
-------
Y
--
A
--------
V
-----
V
A
L
L
A
Q
FGPLEWVT
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
5
PsiBlast_PDB
79.68
20%
-138
- C4 -
4WW3
5
OPSD_TODPA
A:
[52-320]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
-
G
F
-------------
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
--
K
V
Y
G
---
F
I
G
G
I
F
G
F
M
S
I
M
T
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
--------------
G
W
-
G
A
Y
T
L
E
G
-
V
L
C
N
C
S
F
D
Y
---
I
S
R
D
S
T
T
R
S
N
--
I
L
--------
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
-
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
R
L
N
-
A
K
E
---------------------
L
---------
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
--
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
-------
Y
--
A
--------
V
-----
V
A
L
L
A
Q
FGPLEWVT
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
4
PsiBlast_PDB
79.52
20%
-138
- C4 -
3AYN
3
OPSD_TODPA
A:
[60-328]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
-
G
F
-------------
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
--
K
V
Y
G
---
F
I
G
G
I
F
G
F
M
S
I
M
T
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
--------------
G
W
-
G
A
Y
T
L
E
G
-
V
L
C
N
C
S
F
D
Y
---
I
S
R
D
S
T
T
R
S
N
--
I
L
--------
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
-
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
R
L
N
-
A
K
E
---------------------
L
---------
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
--
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
-------
Y
--
A
--------
V
-----
V
A
L
L
A
Q
FGPLEWVT
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
2
PsiBlast_PDB
79.44
20%
-137
- C4 -
2Z73
5
OPSD_TODPA
A:
[60-328]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
-
G
F
-------------
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
--
K
V
Y
G
---
F
I
G
G
I
F
G
F
M
S
I
M
T
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
--------------
G
W
-
G
A
Y
T
L
E
G
-
V
L
C
N
C
S
F
D
Y
---
I
S
R
D
S
T
T
R
S
N
--
I
L
--------
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
-
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
R
L
N
-
A
K
E
---------------------
L
---------
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
--
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
-------
Y
--
A
--------
V
-----
V
A
L
L
A
Q
FGPLEWVT
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
3
PsiBlast_PDB
78.98
20%
-136
- C4 -
3AYM
3
OPSD_TODPA
A:
[60-328]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
-
A
F
S
D
F
T
F
S
L
V
N
-
G
F
-------------
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
--
K
V
Y
G
---
F
I
G
G
I
F
G
F
M
S
I
M
T
M
-----
A
M
I
S
I
D
R
Y
N
V
I
G
R
-
P
M
------
A
A
S
K
K
---
M
S
H
R
R
A
-
F
I
M
I
I
F
V
W
L
W
S
-------------
V
L
W
-
A
I
------
G
P
I
F
--------------
G
W
-
G
A
Y
T
L
E
G
-
V
L
C
N
C
S
F
D
Y
---
I
S
R
D
S
T
T
R
S
N
--
I
L
--------
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
-
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
R
L
N
-
A
K
E
---------------------
L
---------
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
--
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
-------
Y
--
A
--------
V
-----
V
A
L
L
A
Q
FGPLEWVT
P
---
Y
A
A
---------
Q
L
P
-----
V
M
------
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
--
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------
93
Fugue
78.92
17%
-111
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------------------------------------------------------------------
M
N
G
T
E
G
-
P
N
F
-
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
E
----------------
P
W
Q
F
S
M
L
--------------
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
-
N
F
-----
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
-
A
V
A
D
L
F
M
V
F
G
G
-
F
T
-------------
T
T
L
Y
T
S
L
H
-
G
Y
F
V
F
G
-
P
T
G
C
N
L
E
G
F
F
A
-
T
L
G
G
E
I
A
L
W
S
----
L
-----
V
V
L
A
I
E
R
Y
V
V
V
C
K
-
P
M
------
S
N
F
R
----
F
G
E
N
H
A
-
I
M
G
V
A
F
T
W
V
M
A
-------------
L
A
C
-
A
A
-------
P
P
L
-
V
G
W
S
R
Y
I
P
E
GMQC
S
C
-
G
I
---------
D
--
Y
Y
T
---
P
H
E
E
T
N
N
E
S
F
--
V
I
--------
Y
M
F
V
V
H
F
I
I
-----
P
L
I
V
I
F
-
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
--
Q
Q
Q
-
E
S
A
---------------------
T
---------
T
Q
-
K
A
E
K
E
V
T
R
M
V
I
--
I
M
V
----
I
A
F
L
I
C
W
L
P
Y
A
G
V
-------
A
--
F
--------
Y
-----
I
-------------
F
---
T
H
Q
GSDFGPIFM
T
I
P
-----
A
F
------
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA--------------------------------------------
92
Fugue
74.76
15%
-127
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------------------------------------------------------------
M
N
G
T
E
-
G
P
N
-
F
Y
V
P
F
S
N
K
---------------
T
GVVRSPFEAPQYYLAE
P
W
Q
F
S
M
L
--------------
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
-
N
F
-----
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
-
A
V
A
D
L
F
M
V
F
G
G
-
F
T
-------------
T
T
L
Y
T
S
L
H
-
G
Y
F
V
F
G
-
P
T
G
C
N
L
E
G
F
F
A
-
T
L
G
G
E
I
A
L
W
S
----
L
-----
V
V
L
A
I
E
R
Y
V
V
V
C
K
-
P
M
------
S
N
F
R
----
F
G
E
N
H
A
-
I
M
G
V
A
F
T
W
V
M
A
-------------
L
A
C
-
A
A
------
P
P
L
V
G
W
S
R
Y
--
I
P
E
GMQC
S
C
-
G
I
---------
D
--
Y
Y
T
---
P
H
E
E
T
N
N
E
S
F
--
V
I
--------
Y
M
F
V
V
H
----------
F
I
I
P
-
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
--
K
E
A
A
A
S
A
---------------------
T
---------
T
Q
-
K
A
E
K
E
V
T
R
M
V
I
--
I
M
V
----
I
A
F
L
I
C
W
L
P
Y
A
G
V
-------
A
--
F
--------
Y
-----
I
-------------
F
---
T
H
Q
GSDFGPIFM
T
I
P
-----
A
F
------
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
--
L
C
C
G
K
N
P
S
T
T
VSKTETS
Q
V
A
P
A------------------------------------------------
84
HHSearch
70.55
14%
-144
- C4 -
1U19
14
OPSD_BOVIN
A:
[41-328]
----------------------------------------------------------------------------------------------------------------------------
S
M
L
--------------
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
-
N
F
-----
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
-
A
V
A
D
L
F
M
V
F
G
G
-
F
T
-------------
T
T
L
Y
T
S
L
H
-
G
Y
F
V
F
G
-
P
T
G
C
N
L
E
G
F
F
A
-
T
L
G
G
E
I
A
L
W
S
----
L
-----
V
V
L
A
I
E
R
Y
V
V
V
C
K
-
P
M
------
S
N
F
R
F
----
G
E
N
H
A
-
I
M
G
V
A
F
T
W
V
M
A
-------------
L
A
C
-
A
A
------
P
P
L
V
-
G
W
S
R
--
Y
I
-----
P
-----
E
G
M
Q
-
C
S
C
G
--
I
D
Y
---
Y
T
P
---
H
E
E
T
--
N
N
--------
E
S
F
V
I
Y
M
F
V
-----
V
H
F
I
I
P
-
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
--
K
E
A
-
A
A
Q
---------------------
Q
QESA
T
T
Q
K
A
E
K
-
E
V
T
R
M
V
I
I
M
V
I
--
A
F
L
----
I
C
W
L
P
Y
A
G
V
A
F
Y
I
-------
F
T
H
Q
--------
G
SDF--
G
-------------
P
---
I
F
M
---------
T
I
P
-----
A
F
------
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
--
L
C
C
G
K
N
P
L
G
D
------------------------------------------------------------
81
HHSearch
66.77
14%
-142
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
--------------------------------------------------------------------------------------------------------------------------
N
K
Y
V
V
--------------
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
-
N
S
-----
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
-
A
L
A
D
L
L
F
A
L
T
--
L
P
-------------
I
W
A
A
S
K
-
V
-
N
G
W
I
F
G
-
T
F
L
C
K
V
V
S
L
L
K
-
E
V
N
F
Y
S
G
I
L
L
----
L
-----
A
C
I
S
V
D
R
Y
L
A
I
V
H
-
A
T
------
R
T
L
T
----
Q
K
R
H
L
V
-
K
F
V
C
L
G
C
W
G
L
S
-------------
M
N
L
-
S
L
------
P
F
F
L
-
F
R
Q
A
--
Y
H
----------
P
N
N
S
S
-
P
V
C
Y
--
E
V
L
---
G
N
D
---
T
A
-
K
--
W
R
--------
M
V
L
R
I
L
P
H
T
-----
F
G
F
I
V
P
-
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
--
F
K
A
-
H
M
G
---------------------
Q
---------
K
H
-
R
A
M
R
V
I
F
A
V
V
L
--
I
F
L
----
L
C
W
L
P
Y
N
L
V
L
L
A
D
-------
T
--
L
M
RTQVIQE
S
C
E
R
R
-
N
-------------
N
I
G
-
R
A
L
---------
D
A
T
-----
E
I
------
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
--
L
A
M
H
G
-----------------------------------------------------------------
97
Fugue
65.85
16%
-187
- C3 -
3F8T
-
?
A:
[18-492]
R
I
G
E
V
A
S
R
F
GLP
T
R
V
L
I
E
I
V
R
T
E
S
F
Q
R
S
L
A
R
VTSGKPVVLDLRELD
S
D
L
A
S
W
I
A
T
H
A
R
L
V
E
P
A
L
R
E
L
V
R
T
V
A
P
D
V
-
E
P
R
-
V
R
F
R
G
L
P
H
---------------
R
F---------------
R
R
V
E
R
I
R
--------------
P
M
D
G
A
L
I
S
I
E
G
V
V
R
-
E
V
R
G
A
ER
L
E
H
A
I
V
D
T
G
S
E
L
V
A
V
R
L
H
G
H
R
L
G
-
P
G
L
R
V
E
I
L
G
I
V
-
R
S
-------------
A
T
L
D
A
L
E
V
-
H
K
K
D
P
I
-
P
E
V
H
P
D
P
A
E
L
E
-
E
F
R
E
L
A
D
K
D
P
----
L
-----
T
T
F
A
R
A
I
A
------
P
L
------
P
G
A
E
E
---
V
G
K
M
L
A
-
L
Q
L
F
S
C
V
---
G
-------------
K
N
S
-
E
R
------
L
H
V
L
-
L
A
G
Y
---
P
-----
V
V
-
C
S
E
I
L
H
H
-
V
L
D
H
--
L
A
P
R
G
V
Y
V
D
L
R
R
T
E
L
T
--
D
L
--------
T
A
V
L
K
E
D
R
G
-----
W
A
L
R
A
G
--
A
A
V
L
A
D
G
G
I
L
A
V
D
H
--
L
E
G
-
A
P
E
---------------------
P
---------
H
R
-
W
A
L
M
E
A
M
D
K
G
T
--
V
T
V
DG
I
A
L
N
A
R
C
A
V
L
A
A
I
N
P
GEPSDPP
I
--
A
--------
R
-----
I
-------------
D
---
L
D
Q
---------
D
F
L
S
H
FD
L
I
A
F
L
GVPS
Y
T
L
L
R
R
Y
L
L
Y
A
I
R
E
H
P
A
P
E
L
T
E
E
A
R
K
R
--
L
E
H
W
Y
E
T
R
R
E
E
V
E
E
R
L
G
M
G
L
P
T
L
P
V
T
R
R
Q
L
E
S
V
E
R
L
A
K
A
H
A
R
M
R
LSDDVE
P
E
D
V
D
I
A
A
E
L
V
D
W
Y
L
E
T
A
M
Q
95
Fugue
65.59
21%
-160
- C2 -
4KQ7
6
?
A:
[2-374]
------------------------------------------------------------------------
Q
S
N
M
T
N
E
M
F
D
L
A
K
L
K
S
---------------
G
----------------
V
K
N
K
R
I
S
STDPTGGNRDHLEP
F
K
P
G
E
K
R
I
I
A
D
I
K
G
M
G
V
-----
I
N
H
I
W
V
T
I
A
P
P
P
P
T
L
S
R
N
D
I
I
I
R
M
Y
W
D
G
N
D
Y
P
S
V
E
-
S
P
I
G
P
F
F
GQGWD
E
R
Y
N
Y
A
S
L
P
L
S
-
A
G
P
E
----
N
G
T
G
L
S
C
Y
F
A
M
P
F
E
K
G
A
R
I
E
I
----
E
N
QSDR
N
I
D
A
F
Y
F
Y
V
D
Y
L
E
M
A
K
LPKD
M
G
R
F
H
A
W
---
Y
N
H
N
L
T
E
A
L
P
E
G
E
T
E
W
G
V
T
G
A
Q
K
P
N
TTGERN
Y
V
F
M
E
T
Q
G
K
G
H
F
V
G
I
N
-
Y
Y
V
H
--
C
P
-----
T
P
M
W
Y
G
E
G
D
D
M
W
F
I
D
--
G
E
K
---
V
P
S
L
I
G
T
G
T
E
--
D
F
F
NTAWCPK
E
A
F
S
H
P
Y
F
G
-----
Y
P
R
V
N
N
D
I
G
W
L
G
R
T
H
V
Y
R
F
F
I
E
--
D
P
I
-
F
F
E
----------------------------------
K
S
L
K
G
T
I
E
H
G
S
NN
N
L
T
----
L
D
L
S
T
V
A
Y
W
Y
Q
D
S
-------
A
--
V
--------
A
-----
L
-------------
P
---
E
A
P
--------------------------
T
K
A
Q
R
A
P
K
P
F
I
N
H
V
D
I
H
R
W
R
D
A
W
R
K
S
K
-
G
N
K
A
T
L
W
G
N
E
------------------------------------------------------------
78
HHSearch
62.92
18%
-150
- C4 -
3EML
8
ENLYS_BPT4
A:
[21-221]
---------------------------------------------------------------------------------------------------------------------------
S
S
V
Y
--------------
I
T
V
E
L
A
I
A
V
L
A
I
L
G
-
N
V
-----
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
-
A
A
A
D
I
A
V
G
V
L
A
-
I
P
-------------
F
A
I
T
I
S
T
---
G
F
C
A
A
-
C
H
G
C
L
F
I
A
C
F
V
-
L
V
L
T
Q
S
S
I
F
S
----
L
-----
L
A
I
A
I
D
R
Y
I
A
I
R
I
-
P
L
------
R
Y
N
G
L
---
V
T
G
T
R
A
-
K
G
I
I
A
I
C
W
V
L
S
-------------
F
A
I
-
G
L
------
T
P
M
L
-
G
W
N
N
--
C
G
-----
Q
--------
S
-
Q
G
C
G
--
E
G
Q
------
V
A
C
L
F
E
D
VV
P
M
--------
N
Y
M
V
Y
F
N
F
F
-----
A
C
V
L
V
P
-
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
--
R
R
Q
-
L
N
I
---------------------
F
---------
E
M
-
L
R
I
D
E
G
L
R
L
K
I
--
Y
K
D
----
T
E
G
Y
Y
T
I
G
I
G
H
L
L
-------
T
--
K
--------
S
-----
P
-------------
S
---
L
N
A
---------
A
K
S
-----
E
L
------
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
--
A
V
R
G
I
L
R
N
A
K
------------------------------------------------------------
74
HHSearch
61.50
17%
-152
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
----------------------------------------------------------------------------------------------------------------------------
V
F
I
--------------
V
L
V
A
G
S
L
S
L
V
T
I
I
G
-
N
I
-----
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
-
A
C
A
D
L
I
I
G
V
F
S
-
M
N
-------------
L
Y
T
L
Y
T
V
I
-
G
Y
W
P
L
G
-
P
V
V
C
D
L
W
L
A
L
D
-
Y
V
V
S
N
A
S
V
M
N
----
L
-----
L
I
I
S
F
D
R
Y
F
C
V
T
K
-
P
L
------
T
Y
P
V
K
---
R
T
T
K
M
A
-
G
M
M
I
A
A
A
W
V
L
S
-------------
F
I
L
-
W
A
------
P
A
I
L
-
F
W
Q
F
--
I
V
--------
G
V
R
T
V
E
D
-
G
E
C
Y
--
I
Q
F
------------
F
--
S
N
--------
A
A
V
T
F
G
T
A
I
-----
A
A
F
Y
L
P
-
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
--
K
S
R
-
I
N
I
---------------------
F
---------
E
M
-
L
R
I
D
E
G
L
R
L
K
I
--
Y
K
D
----
T
E
G
Y
Y
T
I
G
I
G
H
L
L
-------
T
--
K
--------
S
-----
P
-------------
S
---
L
N
A
---------
A
K
S
-----
E
L
------
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
--
A
V
R
G
I
L
R
N
A
K
------------------------------------------------------------
76
HHSearch
61.13
17%
-137
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
---------------------------------------------------------------------------------------------------------------------------
V
V
G
M
--------------
G
I
V
M
S
L
I
V
L
A
I
V
F
G
-
N
V
-----
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
-
A
C
A
D
L
V
M
G
L
A
V
-
V
P
-------------
F
G
A
A
H
I
L
M
-
K
M
W
T
F
G
-
N
F
W
C
E
F
W
T
S
I
D
-
V
L
C
V
T
A
S
I
E
T
----
L
-----
C
V
I
A
V
D
R
Y
F
A
I
T
S
-
P
F
------
K
Y
Q
S
L
---
L
T
K
N
K
A
-
R
V
I
I
L
M
V
W
I
V
S
-------------
G
L
T
-
S
F
------
L
P
I
Q
-
M
H
W
Y
--
R
A
-----
T
-----
H
Q
E
A
-
I
N
C
Y
--
A
E
-------
E
T
C
C
D
F
F
--
T
N
--------
Q
A
Y
A
I
A
S
S
I
-----
V
S
F
Y
V
P
-
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
--
K
R
Q
-
L
N
I
---------------------
F
---------
E
M
-
L
R
I
D
E
G
L
R
L
K
I
--
Y
K
D
----
T
E
G
Y
Y
T
I
G
I
G
H
L
L
-------
T
--
K
--------
S
-----
P
-------------
S
---
L
N
A
---------
A
K
S
-----
E
L
------
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
--
A
V
R
G
I
L
R
N
A
K
------------------------------------------------------------
80
HHSearch
58.68
17%
-141
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
------------------------------------------------------------------------------------------------------------------------------
Y
--------------
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
-
N
G
-----
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
-
A
V
A
D
L
L
V
A
T
L
V
-
M
P
-------------
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
-
R
I
C
C
D
V
F
V
T
L
D
-
V
M
M
C
T
A
S
I
W
N
----
L
-----
C
A
I
S
I
D
R
Y
T
A
V
V
M
-
P
V
------
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
-
A
L
M
I
T
A
V
W
V
L
A
-------------
F
A
V
-
S
C
------
P
L
L
F
-
G
F
N
T
---------------
T
G
D
P
-
T
V
C
S
--
I
-------------
S
N
------------
P
D
F
V
I
Y
S
S
V
-----
V
S
F
Y
L
P
-
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
--
K
Q
R
-
R
R
K
---------------------
N
---------
I
F
-
E
M
L
R
I
D
E
G
L
R
L
--
K
I
Y
----
K
D
T
E
G
Y
Y
T
I
G
I
G
H
-------
L
--
L
--------
T
-----
K
-------------
S
---
P
S
L
---------
N
A
A
-----
K
S
------
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
--
D
A
A
V
R
G
I
L
R
N
------------------------------------------------------------
75
HHSearch
57.36
18%
-133
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
-----------------------------------------------------------------------------------------------------------------------------
P
L
--------------
V
V
V
L
S
T
I
C
L
V
T
V
G
L
-
N
L
-----
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
-
S
V
A
D
L
I
V
G
A
V
V
-
M
P
-------------
M
N
I
L
Y
L
L
M
-
S
K
W
S
L
G
-
R
P
L
C
L
F
W
L
S
M
D
-
Y
V
A
S
T
A
S
I
F
S
----
V
-----
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
-
P
L
------
R
Y
L
K
Y
---
R
T
K
T
R
A
-
S
A
T
I
L
G
A
W
F
L
S
-------------
F
L
W
-
V
I
------
P
I
L
G
-
W
-
N
H
----------------
R
R
E
-
D
K
C
E
--
T
D
F
---
Y
-----------
D
V
--------
T
W
F
K
V
M
T
A
I
-----
I
N
F
Y
L
P
-
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
--
R
Q
H
-
C
N
I
---------------------
F
---------
E
M
-
L
R
I
D
E
G
L
R
L
K
I
--
Y
K
D
----
T
E
G
Y
Y
T
I
G
I
G
H
L
L
-------
T
--
K
--------
S
-----
P
-------------
S
---
L
N
A
---------
A
K
S
-----
E
L
------
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
--
A
V
R
G
I
L
R
N
A
K
------------------------------------------------------------
85
HHSearch
56.00
18%
-148
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[63-250]
---------------------------------------------------------------------------------------------------------------------------
I
K
L
T
--------------
S
V
V
F
I
L
I
C
C
F
I
I
L
E
-
N
I
-----
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
-
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
-------------
N
L
L
L
S
G
A
--
T
T
Y
K
L
T
-
P
A
Q
W
F
L
R
E
G
S
M
-
F
V
A
L
S
A
S
V
F
S
----
L
-----
L
A
I
A
I
E
R
Y
I
T
M
L
K
------------------
N
N
F
R
L
-
F
L
L
I
S
A
C
W
V
I
S
-------------
L
I
L
-
G
G
------
L
P
I
M
-
G
W
N
C
---------------
I
S
A
L
-
S
S
C
S
--
T
V
L
---
P
L
----------
Y
H
--------
K
H
Y
I
-
L
F
C
T
-----
T
V
F
T
L
L
-
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
--
R
T
R
-
N
I
F
---------------------
E
---------
M
L
-
R
I
D
E
G
L
R
L
K
I
Y
--
K
D
T
----
E
G
Y
Y
T
I
G
I
G
H
L
L
T
-------
K
--
S
--------
P
-----
S
-------------
L
---
N
A
A
---------
K
S
E
-----
L
D
------
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
--
V
R
G
I
L
R
N
A
K
L
------------------------------------------------------------
77
HHSearch
55.90
15%
-144
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-240]
--------------------------------------------------------------------------------------------------------------------------
N
K
I
F
L
--------------
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
-
N
G
-----
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
-
S
V
A
D
L
L
F
V
-
I
T
-
L
P
-------------
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
-
N
F
L
C
K
A
V
H
V
I
Y
-
T
V
N
L
Y
S
S
V
W
I
----
L
-----
A
F
I
S
L
D
R
Y
L
A
I
V
H
-
A
T
------
N
S
Q
R
P
---
R
K
L
L
A
E
-
K
V
V
Y
V
G
V
W
I
P
A
-------------
L
L
L
-
T
I
------
P
D
F
I
-
F
A
N
V
--
S
E
-----------
A
D
D
R
-
Y
I
C
D
--
R
F
Y
---
P
N
------
D
L
--
W
V
--------
V
V
F
Q
F
Q
H
I
M
-----
V
G
L
I
L
P
-
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
--
S
H
S
-
G
S
N
---------------------
I
---------
F
E
-
M
L
R
I
D
E
G
L
R
L
K
--
I
Y
K
----
D
T
E
G
Y
Y
T
I
G
I
G
H
L
-------
L
--
T
--------
K
-----
S
-------------
P
---
S
L
N
---------
A
A
K
-----
S
E
------
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
--
A
A
V
R
G
I
L
R
N
A
------------------------------------------------------------