@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 : OR5H1_HUMAN: (2016-01-13 )
MEEENATLLTEFVLTGFLYQPQWKIPLFLAFLVIYLITIMGNLGLIAVIWKDPHLHIPMYLLLGNLAFVDAWISSTVTPKMLNNFLAKSKMISLSECKIQFFSFAISVTTECFLLATMAYDRYVAICKPLLYPAIMTNGLCIRLLILSYVGGILHALIHEGFLFRLTFCNSNIVHHIYCDTIPLSKISCTDSSINFLMVFIFSGSIQVFSIVTILVSYTFVLFAILKKKSDKGVRKAFSTCGAHLFSVSLYYGPLLFIYVGPASPQADDQDMVEPLFYTVIIPLLNPIIYSLRNKQVTVSFTKMLKKHVKVSY
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.--------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MEEE
N
A
T
L
L
T
E
F
V
L
----
T
G
FLYQPQWK
I
P
L
F
L
A
F
L
-
V
I
Y
L
I
T
-
I
MGNL
G
L
I
A
V
I
WKDPHLH
I
P
M
Y
L
L
L--G
N
L
A
F
V
D
A
W
I
S-STV----
T
P
K
M
L
N
N
F
-------
L
-
A
KSK-MI
S
L
S
E
C
K
I
Q
F
F
S
F
A
I
S
VTT
E
C
F
L
-
L
A
T
M
A
Y
D
R
Y
V
A
I
C
K
P
L
-
L
Y
P
A
I
---MTN-------------
G
L
C
I
R
L
L
I
L
S
Y
V
G
---
G
I
L
H
A
L
----
I
HE
G
F
L
F
R
L
T
FCNSN
I
V
H
H
I
Y
C--DTIPLS-
K
I
SC------------T------------DSS------
I
N
F
L
M
V
--
F
I
FSGSI
Q
V
-----
F
S
I
V
T
I
L
V
S
Y
T
F
V
L
F
A
I
-----------
L
K
KKS------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
V
R
K
A
F
S
T
C
----
G
A
H
--------------
L
F
S
V
S
L
Y--------YG
P
---
L
L
-------
F
I
Y
VGPASPQ------------A------------D---
D
---
Q
D
M
V
E
P
L
F
Y
T
V
I
I
P
L
L
N
P
I
I
Y
S
LRNK
Q
V
T
V
S
F
T
K
M
L
K
---------------
K
HVKVSY--------------------------------------------
24
HHSearch
87.54
18%
-134
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
---------------------------------------
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKF-
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
E
H
K
A
L
K
T
L
----
G
I
I
--------------
M
G
T
F
T
L
C
--------
W
L
P
---
F
F
-------
I
V
N
I
V
H
V
I
Q
D
NL----------
I
------------
R
---
K
---
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
---------------
L
--------------------------------------------------
23
HHSearch
86.95
18%
-139
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
-----------------------------------------
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYLH-
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
E
R
K
A
A
K
Q
L
----
G
F
I
--------------
M
A
A
F
I
L
C
--------
W
I
P
---
Y
F
-------
I
F
F
M
V
I
A
F
C
K
------------
N
CC----------
N
---
E
---
H
L
H
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
---------------
I
--------------------------------------------------
21
HHSearch
84.87
18%
-131
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
----------------------------------------
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPP-
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
E
K
K
V
T
R
T
I
----
L
A
I
--------------
L
L
A
F
I
I
T
--------
W
A
P
---
Y
N
-------
V
M
V
L
I
N
T
F
C
A
PC----------
I
------------
P
---
N
---
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
------------------------------------------------------------------
27
HHSearch
83.77
16%
-134
* C3 *
2Z73
5
OPSD_TODPA
A:
[32-333]
-------------------------------------
A
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
P
LEW---------
V
------------
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
--------------------------------------------
29
HHSearch
83.06
18%
-142
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-471]
---------------------------------------
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
S
T
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
K
E
V
H
A
A
K
S
L
----
A
I
I
--------------
V
G
L
F
A
L
C
--------
W
L
P
---
L
H
-------
I
I
N
C
F
T
F
F
C
P
DCSH--------
A
------------
P
---
L
---
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
---------------
S
H
V
L
R
Q
---------------------------------------------
39
Fugue
83.05
18%
-107
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
----
P
Q
Y
Y
L
A
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
G
M
Q
C
S
C
------------
G
I
DYYTPHEETN
N
E
S
F
------
V
I
Y
M
F
V
VH
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
G
S
D
------------
F
------------
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
S
T
TVSKTETS
Q
V
A
P
A-------------------------------
32
HHSearch
81.44
17%
-136
- C3 -
2KS9
1
NK1R_HUMAN
A:
[33-325]
----------------------------------------
V
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
T
N
Y
F
L
--
V
N
L
A
F
A
E
A
S
M
A
-
A
F
N
----
T
V
V
N
F
T
Y
A
-------
V
-
H
N
E
W
-
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
-
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
-
Q
P
R
L
-----
S
A
-------------
T
A
T
K
V
V
I
C
V
I
W
V
L
---
A
L
L
L
A
F
----
P
Q
G
Y
Y
S
T
T
-----
E
T
M
P
S
R
V
V
C
--
M
I
E
W
P
E
-
H
P
---------------------------
N
K
I
------
Y
E
K
V
Y
H
--
I
C
V
T
V
L
I
Y
F
-----
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
-----------
W
A
S
E
I
PGDSSDRYH
E
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
K
R
K
V
V
K
M
M
----
I
V
V
--------------
V
C
T
F
A
I
C
--------
W
L
P
---
F
H
-------
I
F
F
L
L
P
Y
I
N
P
------------
D
------------
L
YLK
K
FI
Q
Q
V
Y
L
A
I
M
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
---------------
C
C
P
F
I
S
A
--------------------------------------------
40
Fugue
80.75
19%
-109
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
----
P
Q
Y
Y
L
A
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
G
M
Q
C
S
C
G
I
DYYTPHEETN
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
KEAAAQQQESA
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
S
D
------------
F
------------
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
VAPA----------------------------------------
3
PsiBlast_PDB
80.11
22%
-115
- C3 -
2ZIY
2
OPSD_TODPA
A:
[60-327]
--------------------------------------------------------------------
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
PIF
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
F
G
P
---
L
E
---------
W
V
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
--------------------------------------------
28
HHSearch
79.01
19%
-128
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
------------------------------------
E
N
S
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
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYA
S
R
-
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
E
N
V
A
L
L
K
T
V
----
I
I
V
--------------
L
S
V
F
I
A
C
--------
W
A
P
---
L
F
-------
I
L
L
L
L
D
V
G
C
K
------------
V
KTC
D
--------
I
---
L
---
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
---------------
R
P
L
------------------------------------------------
30
HHSearch
77.50
16%
-142
- C3 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
------------------------------------------
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
E
K
K
A
T
Q
M
V
----
A
I
V
--------------
L
G
A
F
I
V
C
--------
W
L
P
---
F
F
-------
L
T
H
V
L
N
T
H
C
Q
------------
T
CHV---------
S
---
P
---
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
---------------
C
--------------------------------------------------
7
PsiBlast_PDB
77.05
22%
-121
- C3 -
4WW3
5
OPSD_TODPA
A:
[53-313]
--------------------------------------------------------------------
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
GPIF
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
F
G
P
---
L
E
---------
W
V
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
--------------------------------------------
22
HHSearch
75.73
16%
-124
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-497]
-------------------------------------
F
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
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
----
V
I
L
--------------
I
L
A
F
F
A
C
--------
W
L
P
---
Y
Y
-------
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
------------
V
---
H
---
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
---------------
S
G
R
P
L
E
V
--------------------------------------------
5
PsiBlast_PDB
75.64
21%
-116
- C3 -
3AYM
3
OPSD_TODPA
A:
[61-328]
--------------------------------------------------------------------
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
GPIF
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
F
G
P
---
L
E
---------
W
V
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
--------------------------------------------
6
PsiBlast_PDB
75.54
21%
-115
- C3 -
3AYN
3
OPSD_TODPA
A:
[61-328]
--------------------------------------------------------------------
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
GPIF
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
F
G
P
---
L
E
---------
W
V
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
--------------------------------------------
4
PsiBlast_PDB
75.43
21%
-116
- C3 -
2Z73
5
OPSD_TODPA
A:
[61-328]
--------------------------------------------------------------------
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
GPIF
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
F
G
P
---
L
E
---------
W
V
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
--------------------------------------------
31
HHSearch
75.14
16%
-122
- C3 -
1U19
14
OPSD_BOVIN
A:
[40-327]
---------------------------------------
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
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
QQQESA
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
GSD---------
F
------------
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
--------------------------------------------
33
HHSearch
70.33
17%
-117
- C3 -
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
R
------------
T
QVIQE
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
------------------------------------------------
45
Fugue
69.02
17%
-137
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
------------------
S
F
K
C
A
L
T
K
----
T
G
F
-----
Q
F
Y
Y
L
P
A
V
Y
I
-
L
V
F
I
I
G
-
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
--
F
N
L
A
L
A
D
F
L
Y
V
-
L
T
L
-----
P
A
L
I
F
Y
Y
-------
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
-
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
R
L
K
---
K
K
N
-------------
A
I
C
I
S
V
L
V
W
L
I
V
V
---
V
A
I
--------------------
S
P
I
L
F
Y
S
G
T
--
G
V
R
K
N
K
-
T
I
T
C
------------
Y
------------
D
T
T
SDEY
L
R
S
Y
F
I
Y
S
--
M
C
T
T
V
A
M
F
C
-----
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
-----------
I
Y
K
M
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
T
C
T
V
C
G
Y
I
Y
----
N
P
E
--------------
D
G
D
P
D
N
G
--------
V
N
P
GTD
F
K
-------
D
I
V
C
P
L
C
G
V
G
------------
K
------------
D
---
Q
---
F
E
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
---------------
L
R
A
R
L
D
F
QTPAM
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
LAGDTFRRR
44
Fugue
64.42
13%
-142
- C2 -
4L8T
-
A:
[64-447]
----EYLG
M
L
Q
Y
K
R
E
D
E
A
K
L
I
Q
N
L
I
L
DLKP
R
G
V
V
V
N
M
I
P
G
L
P
A
H
I
L
F
M
-
C
V
R
Y
A
D
-
S
L
N
D
A
N
M
L
K
S
L
M
N
S
T
I
N
G
I
K
Q
V
V
K
E
H
L
E
D
F
E
M
L
S
F
W
L
S
-
N
T
C
H
F
L
N
C
L
K
Q
Y
S
G
E
-------
E
-
E
F
M
K
-
H
N
S
P
Q
Q
N
K
N
C
L
N
N
F
D
L
S
E
Y
R
Q
I
L
S
D
V
A
I
R
I
Y
H
Q
F
I
I
I
M
E
K
N
-
I
Q
P
I
I
---
V
P
G
M
LEYESLQGYT
M
T
S
V
L
Q
Q
L
S
Y
F
Y
T
T
M
C
Q
N
G
L
D
P
E
L
----
V
R
Q
A
V
K
Q
L
F
F
L
I
G
A
V
T
L
N
S
L
F
L
RK
D
M
C
S
C
R
-
K
G
M
Q
------------
I
------------
R
C
N
------
I
S
Y
L
E
E
--
W
L
K
D
K
N
L
Q
N
-----
S
L
A
K
E
T
L
E
P
L
S
Q
A
A
W
L
L
Q
----------
V
K
K
T
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
D
A
K
E
I
Y
E
R
C
TSLS
A
V
Q
--------------
I
I
K
I
L
N
S
--------
Y
T
P
---
I
D
DF
E
K
R
V
T
P
S
F
V
R
K
V
Q
A
L
------------
L
------------
N
---
S
---
R
E
D
S
S
Q
L
M
L
D
T
--
K
Y
L
F
Q
V
T
F
P
F
T
P
S
P
H
A
L
E
M
I
Q
-
I
P
---------------
S
S
F
K
L
G
F
LNRL----------------------------------------