@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 : OR8B8_HUMAN: (2016-01-14 )
MAAENSSFVTQFILAGLTDQPGVQIPLFFLFLGFYVVTVVGNLGLITLIRLNSHLHTPMYFFLYNLSFIDFCYSSVITPKMLMSFVLKKNSISYAGCMTQLFFFLFFVVSESFILSAMAYDRYVAICNPLLYMVTMSPQVCFLLLLGVYGMGFAGAMAHTACMMGVTFCANNLVNHYMCDILPLLECACTSTYVNELVVFVVVGIDIGVPTVTIFISYALILSSIFHIDSTEGRSKAFSTCSSHIIAVSLFFGSGAFMYLKPFSLLAMNQGKVSSLFYTTVVPMLNPLIYSLRNKDVKVALKKILNKNAFS
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)
-----------------------------------MAAE
N
S
S
F
V
T
----------
Q
F
I
L
AGLT-DQPGV
Q
I
P
------------
L
F
F
L
F
L
G
F
Y
V
V
T
V
V-GNL
G
L
I
T
L
I
RLNSH----LH
T
P
M
Y
F
F
L
YN
L
-------------
S
F
I
D
F
C
Y
S
SVI-
T
-
P
K
--
M
L
M
S
F
V
-
L
KKNS-----I
S
Y
----------
A
G
C
M
T
Q
L
F
---
F
F
L
F
F
V
-----------------------
V
S
E
S
F
I
L
S
A
--
M
--
A
Y
D
R
-------------------------------
Y
V
A
I
C
N
P
L
L
Y
M
V
T---M
S
P
Q
V
C
---
F
L
L
L
L
G
V
YGMG
F
A
G
A
M
A
H
T
A
C
-
M
M
G
V
T
----------------
F
C
A
N
N
L
V
N
H
Y
M
C
D
I
L
P
L
-
L
E
CAC----------
T
S
T
Y
--
V
N
E
L
V
V
------
F
V
V
V
G
-IDIGV
P
T
V
T
I
F
I
----
S
Y
A
L
I
L
S
S
I
FH-IDST-----------E--------------------GR
S
K
A
F
S
T
CSS
H
I
----------
I
A
V
S
L
F
FGS
G
A
F
M
Y
LK
P
F
-----------
S
--
L
-------
L
------AMNQGK-----------
V
S
S
L
F
------
Y
T
---
T
V
V
-
P
M
L
N
P
L
I
Y
S
LRNK
D
V
K
V
A
L
K
K
I
L
--
N
KNAFS------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
89.94
20%
-151
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-332]
--------------------------------------------------------------------
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
PLE----
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
82.65
17%
-132
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------------------------
M
N
G
T
E
G
P
-------------
N
F
Y
V
P
F
S
N
-
K
T
G
V
V
R
S
P
FEAPQYYLAE
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
KK
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
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
DFGPIFM----
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
STTVSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
79.80
16%
-130
- C2 -
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
DYYTP---
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
QGSDFGPIFM
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
DDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
79.09
17%
-145
- C2 -
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
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
P
GDSSDRYH
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
DLYLKK
F
I
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
77.33
21%
-148
- C1 -
4HU8
3
?
A:
[3-452]
N
E
I
T
L
T
IG
Q
Q
K
D
LASMVPAKFAG
Q
E
L
S
W
T
S
SDPET
A
S
V
T
D
K
G
I
V
T
A
L
K
FSSGGAN
L
F
L
K
A
P
A
T
-
G
E
A
I
I
T
V
T
------------
A
G
K
Q
S
H
S
V
K
V
I
T
T
V
K
G
K
E
D
I
E
K
L
P
P
L
K
D
H
----
F
K
D
--
Y
F
L
I
G
N
I
F
N
NRDVSGSMMDN
D
W
L
A
H
H
Y
A
-
I
L
-
T
-
P
E
NH
M
K
P
S
N
L
-
T
N
N
R
N
ETTG
E
I
T
Y
TF
S
T
A
D
R
M
V
N
A
A
I
A
E
G
L
K
---
I
H
G
H
T
L
LWHQQIP
P
W
Q
R
S
MESAA
K
D
A
A
L
S
V
M
K
K
Y
I
T
E
V
--
M
--
T
H
Y
K
GKIYSWDVLNEIFPDGRGDNWTTAMRPEN
P
W
F
K
S
I
G
S
D
F
V
Y
E
A
Y
---
L
A
A
R
Q
A
DPN
A
I
L
Y
Y
N
D
Y
N
M
D
Q
A
G
K
A
A
L
I
A
A
-
M
--
V
R
----------------
D
V
N
A
K
Y
K
Q
A
Y
P
R
E
T
R
L
L
-
I
E
G
I
G
MQSHHNMDVP
A
S
N
I
--
R
N
T
I
N
R
------
Y
R
E
L
G
-
V
K
I
S
V
S
E
L
D
I
L
C
--------
M
G
W
S
A
F
R
-
G
S
T
G
-----------
Q
--------------------
G
A
D
K
D
D
M
T
---------------
I
A
T
N
R
N
I
L
D
Q
A
Y
K
F
N
E
Y
M
-----------
K
--
L
-------
Y
------
L
E
N
S
D
I
-----------
I
E
R
V
S
M
WGVSD
R
Y
---
S
W
R
-
S
G
G
L
P
L
L
F
D
A
D
N
K
-
A
K
P
A
Y
Y
S
F
V
--
R
A
R
E
D
Y
E
A
A
K
A-------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
77.26
15%
-148
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
-----------------------------------------------------------------
D
E
V
W
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
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL
36
HHSearch
73.31
16%
-135
- C2 -
1U19
14
OPSD_BOVIN
A:
[41-326]
----------------------------------------------------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
67.92
14%
-137
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
---------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
64.24
22%
-173
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[9-198]
----------------------------------------------------------------------
M
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
63.46
17%
-164
- C2 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
----------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
63.21
15%
-146
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---------------------------------P
C
F
R
E
E
N
A
N
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
DD
R
Y
I
C
D
R
F
Y
PN
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
HSGSN
I
F
E
M
L
R
-
I
D
E
G
L
-
R
L
K
I
Y
K
D
TEG
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
GRNTNGVIT
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
--
L
-------
D
------
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
K
R
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ----------------------------------
28
HHSearch
62.10
19%
-156
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
------------------------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
62.02
20%
-165
- C2 -
3EML
8
ENLYS_BPT4
A:
[22-221]
----------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
60.20
17%
-152
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-239]
--------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
58.92
18%
-161
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
-----------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
58.67
17%
-170
- C2 -
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
55.57
17%
-142
- C2 -
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
54.60
30%
-165
- C2 -
4EIY
13
AA2AR_HUMAN (first)
A:
[39-137]
-----------------------------------------------------------------------------------------
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
P
K
E
G
K
N
H
S
Q
G
C
G
E
G
Q
V
-
A
C
L
F
E
----------
D
V
V
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
A
D
L
-----------
E
--------------------
D
N
W
E
T
L
N
D
N
L
K
V
I
----------
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
-----------
A
--
A
-------
L
------
D
A
Q
K
M
K
-----------
D
F
R
H
G
------
F
D
---
I
L
V
-
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
--
Q
L
K
T
T
R
------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
51.94
24%
-161
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[35-152]
---------------------------------------------------------------------------------------------
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
WPL-------
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
L
K
P
V
Y
--
D
S
L
D
A
V
------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
51.79
31%
-164
- C2 -
2Z73
3
OPSD_TODPA
A:
[65-160]
---------------------------------------------------------------------------------------------------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------