@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 : OR8BC_HUMAN: (2016-01-14 )
MAAKNSSVTEFILEGLTHQPGLRIPLFFLFLGFYTVTVVGNLGLITLIGLNSHLHTPMYFFLFNLSLIDFCFSTTITPKMLMSFVSRKNIISFTGCMTQLFFFCFFVVSESFILSAMAYDRYVAICNPLLYTVTMSCQVCLLLLLGAYGMGFAGAMAHTGSIMNLTFCADNLVNHFMCDILPLLELSCNSSYMNELVVFIVVAVDVGMPIVTVFISYALILSSILHNSSTEGRSKAFSTCSSHIIVVSLFFGSGAFMYLKPLSILPLEQGKVSSLFYTIIVPVLNPLIYSLRNKDVKVALRRTLGRKIFS
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)
------------------------------------------------------MAA------KN
S
S
V
T
E
F
I
L
E
GLTH--QPGL
R
I
P
L
--------
F
F
L
F
L
G
F
Y
----
T
V
T
V
V--GNL
G
L
I
T
L
I
GLN-------------SHLH
T
P
M
Y
F
F
L
F
N
L
S
L
I
--
D
F
C
FSTTI-
T
P
K
M
L
M
S
-----------------
F
V
-SR------------K
N
I
I
S
F
---
T
G
--
C
--------
M
T
Q
---------------
L
F
F
F
C
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
T
V
T
---
M
S
C
Q
---
V
C
L
L
L
L
L
G
AY------GMGF---
A
G
A
MAHTG
S
I
M
N
L
---
T
----------
F
C
A
------
D
N
L
V
N
H
F
-
M
C
D
I
---
L
P
L
-
L
ELSC-------
N
S
S
----
Y
---------------
M
--
N
-
E
-
L
V
V
F
---------
I
--
V
V
A
VD---VG
M
------------
P
I
V
T
V
F
I
S
Y
A
L
I
L
S
-
S
------------
I
LHNSST-----------E--------------------G
R
S
----
K
A
F
S
TCSS
H
I
I
V
V
S
L
F
----------FGSG
A
---
F
M
Y
L
K
----------
P
L
S
----
I
--
L
-P----LE-QG--
K
-------
V
S
S
L
F
Y
------
T
---
I
I
V
P
V
L
N
P
L
------------
I
Y
S
LR--NK
D
V
K
V
A
L
R
R
T
L--
G
R
K
IFS-----------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
86.10
19%
-118
- 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
LA
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
-
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
L
G
DDEA
S
T
T
V
S
K
TETSQVAPA----------------------------------------------------------------------------------------------------------------------------
39
Fugue
85.35
17%
-138
- 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
LA
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
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--------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
82.99
18%
-145
- 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
L
E
WV--
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
-----------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
80.05
15%
-149
- C3 -
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
-
D
LYL-
K
K
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
-----------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
75.44
17%
-136
* C3 *
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
QG
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
-----------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
72.72
14%
-129
- C3 -
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
ATH
Q
----------
E
A
I
------
N
C
Y
A
E
E
T
-
C
C
D
F
FTN
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
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
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
45
Fugue
72.72
20%
-151
- C1 -
1OKE
4
POLG_DEN2P
A:
[1-394]
------------------------------------------------------
M
R
C
------
I
G
I
S
N
R
D
F
V
-
E
G
V
S
G
--
G
S
W
V
D
I
V
L
--------
E
H
---
G
S
C
----
V
T
T
M
A
--
K
N
K
P
T
L
D
F
E
L
I
K
-------------
T
E
A
K
Q
P
-------
A
T
L
R
--
K
Y
C
I
E
A
K
L
-
T
N
T
T
T
E
S
R
C
PTQ
G
E
P
T
L
NEEQDKR
F
V
-
C
K
------------
H
S
M
V
D
R
G
WG
N
G
--
C
GLF
G
K
G
G
I
V
T
C
---------------
A
M
F
T
C
K
K
N
M
----
E
G
K
I
V
Q
P
E
N
L
E
-----------
Y
T
V
V
I
T
P
HSGEEHAVGNDTGKH
G
K
E
---
V
-----------
K
I
T
P
Q
---
S
S
I
T
---
E
A
E
L
T
G
Y
G
T
V
------
T
M
E
C
S
PR
T
G
L
D
F
N
E
M
V
L
L
Q
M
---
K
----------
D
K
A
------
W
L
V
H
R
Q
W
-
F
L
D
L
P--
L
P
W
-
L
P
G
A
D
-------
T
Q
G
SNWI
Q
---------------
K
--
E
-
T
-
L
V
T
F
K
NPHAK
K
Q
D
V
--
V
V
L
G
S
---
Q
E
G
------------
A
M
H
T
A
L
T
G
A
T
E
I
Q
M
-
S
SGNLLFT
G
H
L
K
C
R
L
R
M
D
K
L
-----------
Q
--------------------
L
K
G
----
M
S
Y
S
M
C
T
G
K
F
K
V
V
K
E
I
----------
A
E
T
Q
H
G
T
I
V
I
R
V
Q
Y
EGDGSP
C
K
I
P
F
E
----
I
--
M
-
D
----
L
E
-
K
R
--
H
-------
V
L
G
R
L
I
------
T
VNP
I
V
T
E
K
D
S
P
V
------------
N
I
E
A
E
P
P
F
G
D
S
Y
I
I
I
G
V
E
P
--
G
Q
L
K
L
N
W
F
K
K-------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
71.91
19%
-127
- C2 -
4FDT
2
?
A:
[21-425]
----------------------MQT
K
I
Q
K
Y
A
GTAMPYPNRTDGMTPF
Y
I
N
H
L
G
R
H
G
A
RFPTSR
K
A
L
D
K
V
E
K
V
L
V
S
A
Q
Q
--
E
N
G
L
T
S
E
G
--------
M
A
L
L
S
M
I
R
----
R
L
S
R
L
F
D
G
Q
W
G
K
L
S
K
L
G
E
T
-------------
E
Q
E
G
I
A
G
R
M
I
R
N
Y
P
Q
L
F
--
S
N
--
S
A
K
I
-
E
A
I
A
T
Y
V
-----------------
P
R
-
S
I
------------
N
S
M
D
A
F
---
L
S
--
C
--------
M
I
R
H
NPA
L
Q
V
Q
R
S
E
G
KQY
N
H
I
L
R
F
F
D
L
---
N
K
S
Y
V
N
Y
K
E
K
G
D
------------
W
L
P
I
Y
-----------------
K
A
---
F
-----------
V
H
K
K
I
---
S
P
V
P
---
I
M
K
K
F
L
L
N
P
E
QYL
D
K
E
A
E
E
F
---
V
M
A
L
F
S
V
A
A
I
L
P
D
---
T
----------
S
I
P
------
L
N
L
E
D
L
F
T
L
D
E
W
---
H
R
Y
-
W
Q
T
Q
N
-------
L
R
Q
----
Y
---------------
M
--
S
-
K
-
S
S
A
P
---------
V
GK
M
L
P
V
A
---
I
A
W
------------
P
L
L
S
E
F
I
R
S
A
Q
E
V
I
-
S
---------------
G
K
S
D
-----------
Y
--------------------
Q
A
N
----
F
R
F
A
H
A
E
T
V
I
P
F
V
S
L
M
GIEKTDVQVC
R
P
D
S
V
---
S
V
Y
W
K
----------
D
Y
E
----
I
--
S
-
P
----
M
A
--
A
--
N
-------
V
Q
W
L
F
Y
R
D
RDQ
R
I
---
W
V
K
I
L
L
N
E
E
A
A
A
L
PISTACFP
Y
Y
S
W
E
--
K
T
R
I
F
F
N
Q
R
I
E
M
--
A
K
K
T
L
S
V
F
N--------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
71.23
16%
-154
* C4 *
4L9P
11
?
B:
[68-519]
VHPGIP
A
L
F
R
E
PPLIHDLLST
E
T
T
E
L
Q
S
E
T
V
N
K
C
L
P
L
L
K
GIHNSQKGPFNKYGI
P
A
L
------
Q
R
K
D
H
L
E
Y
L
Y
D
S
L
E
D
--
Y
P
A
S
F
V
A
L
DAS
R
P
W
M
V
Y
W
A
L
A
G
L
C
L
L
GE
D
V
T
R
F
--
R
E
R
V
I
S
T
F
T
A
A
Q
NST
G
G
I
G
GGHGQM
S
H
V
A
S
S
-
Y
A
A
V
L
S
I
A
M
V
GG
E
E
A
F
K
L
-
I
-
D
R
K
A
M
W
K
-----------------
W
L
-
G
K
L
KQPDGGFTVCE
G
G
E
E
D
V
---
R
G
--
A
--------
Y
C
A
---------------
M
V
V
H
A
L
L
D
L
---
P
L
A
L
P
P
E
A
E
A
R
Q
N
GLETFTDG
L
P
E
Y
L
S
R
C
-----------------
Q
T
---
Y
EGGISGSPGSE
A
H
G
A
Y
---
A
F
C
A
---
L
A
C
L
C
L
L
G
R
P
------
E
V
V
V
---
P
R
Y
M
-
N
I
A
T
L
L
P
W
---
L
S
A
RQYAPEGG
F
S
G
RTN
K
L
V
D
G
C
Y
S
H
W
-
V
G
N
C
---
W
P
L
-
V
Q
A
A
L
-------
D
G
T
----
Q
PLAG
P
K
R
S
S
VGNLYS
R
--
E
-
G
-
L
T
R
Y
---------
I
--
L
S
C
C
Q
---
C
K
L
G
G
L
R
DKPG
K
H
P
D
S
Y
H
T
C
Y
A
L
T
G
L
S
T
V
-
Q
------------
Y
Y
H
Y
C
T
D
-----------
S
--------------------
S
V
S
----
S
K
D
D
F
-----------------------
S
S
A
---
F
S
W
K
H
----------
D
P
N
----
F
--
A
-
S
----
D
G
-
Q
G
--
S
-------
D
I
G
V
F
T
------
E
---
N
D
R
L
V
P
F
H
P
------------
I
F
V
I
P
--
H
K
S
A
E
-
D
I
R
V
W
F
--
E
N
Q
S
F
D
L----------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
70.57
14%
-136
- 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
RTQ
V
I-
Q
E
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
-------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
63.51
16%
-152
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[38-235]
----------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
63.01
14%
-139
- C4 -
4CRU
1
RCD1_HUMAN
B:
[4-273]
-------------------------------------------------------
M
L
------
E
R
E
K
I
Y
Q
W
I
N
E
--
L
S
--
S
P
E
T
R
E
N
A
--------
L
L
E
L
S
K
-----------------------
K
R
-------------
E
S
V
P
D
L
A
P
M
L
W
H
S
F
G
T
I
--
A
A
L
L
Q
E
I
V
-
N
I
Y
P
S
I
N
-----------------
P
P
-
T
L
------------
T
A
H
Q
S
N
---
R
V
--
C
--------
N
A
L
---------------
A
L
L
Q
C
V
A
S
H
---
P
E
T
--
R
S
A
F
L
A
A
-----------
H
I
P
L
F
L
-----------------
Y
P
---
F
-----------
L
H
T
V
S
---
K
T
------
R
P
F
E
Y
L
R
L
T
------
S
L
G
V
---
I
G
A
L
V
K
T
D
E
Q
E
V
I
---
N
----------
F
L
L
------
T
T
E
I
I
P
L
-
C
L
R
I
---
M
E
S
-------------
G
S
E
----
L
---------------
S
--
K
-
T
-
V
A
T
F
---------
I
--
L
Q
K
I
L
L
D
D
T
G
L
------------
A
Y
I
C
Q
T
Y
E
R
F
S
H
V
A
-
M
------------
I
L
G
K
M
V
L
-----------
Q
--------------------
L
S
K
----
E
P
S
A
R
L
L
K
H
V
V
R
C
Y
L
R
----------
L
S
D
N
P
---
R
A
R
E
A
----------
L
R
Q
----
C
--
L
-
P
--------------------
D
Q
L
K
D
------
T
---
T
F
A
Q
V
L
K
D
---------------
D
T
T
--
T
K
R
W
L
A
Q
L
V
K
N
L
--
Q
E
---------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
61.88
17%
-143
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-239]
----------------------------------------------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
61.04
19%
-160
- C3 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
60.78
19%
-172
- C3 -
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
---------------
V
VP
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
-----------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
60.39
18%
-155
- C3 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
59.75
18%
-162
- C3 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
55.90
16%
-150
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[62-249]
-----------------------------------------------------------------------------------
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
----
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
55.17
24%
-175
- C3 -
4DJH
1
ENLYS_BPT4 (first)
A:
[18-154]
--------------------------------------------------------------------------------
S
P
A
I
P
V
I
I
--------
T
A
V
Y
S
V
V
F
----
V
V
G
L
V
--
G
N
S
L
V
M
F
V
I
I
R
Y
-------------
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
--
D
A
L
V
T
T
T
M
-
P
---
F
Q
S
-----------------
T
V
-
Y
L
------------
M
N
S
W
P
F
---
G
D
V
L
C
--------
K
I
V
---------------
L
S
I
D
Y
Y
N
M
F
---
T
S
I
F
T
L
T
M
M
S
V
D
-----------
R
Y
I
A
V
C
-----------------
H
P
VKA
L
-----------
D
F
R
T
P
---
L
K
A
K
I
I
N
I
C
I
W
L
L
S
S
S
V
------
G
I
S
A
---
I
V
L
G
G
T
K
V
R
E
D
V
D
---
V
----------
I
E
C
------
S
L
Q
F
P
D
D
-
D
Y
S
W
---
W
D
L
-
F
M
K
I
C
-------
V
F
I
----
F
---------------
A
--
F
-
V
-
I
P
V
L
---------
I
--
I
I
V
C
Y
---
T
L
M
------------
I
L
R
L
K
S
V
R
L
L
S
G
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
-----------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
55.11
30%
-164
- C3 -
4EIY
13
AA2AR_HUMAN (first)
A:
[39-138]
----------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------