@TOME V2.3
(Nov 2016)
Ref.
-
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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 : OR8B2_HUMAN: (2016-01-14 )
MLARNNSLVTEFILAGLTDHPEFRQPLFFLFLVIYIVTMVGNLGLITLFGLNSHLHTPMYYFLFNLSFIDLCYSSVFTPKMLMNFVSKKNIISNVGCMTRLFFFLFFVISECYMLTSMAYDRYVAICNPLLYKVTMSHQVCSMLTFAAYIMGLAGATAHTGCMLRLTFCSANIINHYLCDILPLLQLSCTSTYVNEVVVLIVVGTNITVPSCTILISYVFIVTSILHIKSTQGRSKAFSTCSSHVIALSLFFGSAAFMYIKYSSGSMEQGKVSSVFYTNVVPMLNPLIYSLRNKDVKVALRKALIKIQRRNIF
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)
---------------------------------MLARN
N
S
L
V
T
--------------
E
F
I
L
AG--LTD
H
------------
P
E
F
R
Q
P
--
L
F
F
L
F
L
V
I
Y
I
V
T
M
VGNL------------
G
L
I
T
L
F
GLNSHLH
T
P
M
Y
Y
---
F
L
FN
L
S
F
I
D
L
C
Y
S
SVF-
T
P
K
M
L
M
N
F
V
-
S
K
K
N
I
I
S
N
V
G
C
M
T
R
L
F
F
F
L
F
F
V
I
--------
S
E
C
Y
M
L
T
S
M
A
Y
D
R
Y
V
A
I
C
N
P
---------
L
L
Y
K
--
V
T---
M
S
H
-----
Q
V
C
S
M
L
T
F
A
A
Y
I
M
GLAGATAHT--------------------
G
C
------------
M
L
R
L
T
FC
S
A
N
I
---------
I
N
H
Y
L
C
D
I
L
P
L
-
L
Q
LSC-------
T
-------
S
T
Y
--
V
N------
E
V
V
V
L
I
V
VGTNITV
P
S
C
T
I
L
I
S
Y
V
F
I
V
T
S
I
L
HIK--S------------------------------------------------------------------------------------------------------------------------------------------------------------------T-------------------------------------------------------------------------------------------------------------------------------------------------------------------QGR
S
----
K
A
F
S
T
C
S
S
H
V
I
A
L
S
L
F
FG
S
A
A
F
M
Y
I
K
-YSSGS----M---------E----Q---G
K
--------
V
S
----
S
V
F
Y
T
N
V
V
P
M
L
N
P
L
I
Y
S
LRNK
D
V
K
-------
V
A
L
R
K
A
L
I
K
I
Q
R-----------RNIF--------------------------------------------------------------------------------------------------------------------
35
HHSearch
93.61
19%
-143
- C2 -
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
EWV-
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
--------------------------------------------------------------------------------------------------------------------
28
HHSearch
88.23
18%
-138
- C2 -
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
--------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
87.30
20%
-117
- 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
YY
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
QGSDFG-
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
DEA
S
T
T
V
S
K
TETSQVAPA--------------------------------------------------------------------------------------------------
44
Fugue
87.17
20%
-131
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---------------------------------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVVRSPF
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
DYYTPH
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
SDFGPIFM
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--------------------------------------------------------------------------------------------------------
32
HHSearch
85.73
17%
-142
- C2 -
3EML
13
ENLYS_BPT4
A:
[21-470]
------------------------------------------------------------------------------------
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
D
CSHA
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
----------------------------------------------------------------------------------------------------------------------
26
HHSearch
85.14
18%
-140
- C2 -
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
P
----
C
IP-------
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
---------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
83.56
15%
-146
- C2 -
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
--------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
80.15
18%
-131
- C2 -
1U19
14
OPSD_BOVIN
A:
[38-327]
----------------------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QQESA
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
FGP-
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
--------------------------------------------------------------------------------------------------------------------
33
HHSearch
79.25
17%
-136
- C2 -
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
---------
Y
LKKF
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
S
A
G
--------------------------------------------------------------------------------------------------------------------
51
Fugue
76.53
13%
-124
- 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
HWYRATH
Q
E
A
I
N
C
Y
A
EET
C
C
DFFTN
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
M
G
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
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
50
Fugue
74.61
19%
-132
- C1 -
2Q06
-
?
A:
[22-496]
A
T
E
I
R
A
S
V
G
R
M
V
G
G
I
G
R
F
Y
I
Q
M
C
T
E
L
KLS
D
Q
E
G
R
L
I
Q
N
S
I
T
I
E
--------------
R
M
V
L
S
A
--
F
D
E
R
RNRYKDPK
K
T
G
G
P
I
Y
R
R
R
D
G
K
W
V
R
E
L
I
L
Y
D
K
E
E
I
R
R
I
W
R
Q
A
N
NGEDAT
A
G
L
T
H
M
M
I
W
H
S
N
L
N
D
A
T
Y
Q
R
T
R
A
L
V
R
T
G
M
D
P
R
M
C
S
L
M
Q
-
G
S
T
L
P
R
R
S
G
-
A
A
G
A
A
I
K
G
V
G
T
M
V
M
E
L
I
R
M
I
K
R
G
I
NDRNFWR
G
E
N
G
R
R
T
R
I
A
Y
E
R
M
C
N
I
L
K
G
K
FQT
A
A
Q
K
A
M
M
D
Q
--
V
R
---
E
S
R
NPG
N
A
E
I
E
D
L
I
F
L
A
R
S
A
L
I
L
R
G
S
I
A
H
K
--------------------
S
C
------------
L
P
A
C
V
Y
G
L
A
V
A
S
GYDFERE
G
Y
S
L
V
G
I
D
P
F
R
L
-
L
Q
N
S
Q
-------
V
-------
F
S
L
--
I
R
PNEN
P
A
H
K
S
Q
L
V
W
M
A
C
H
S
A
A
F
E
-
D
L
R
V
S
S
F
I
R
G
T
R
V
I
P
R
G
QL
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
G
V
Q
----
I
A
S
N
E
N
V
E
A
M
D
S
S
T
L
E
L
R
S
R
Y
W
A
I
R
T
-
R
S
G
G
N
----
T
---------
N
----
Q
---
Q
R
--------
A
S
A
G
Q
I
S
V
Q
P
T
F
S
V
Q
R
N
L
P
F
E
R
A
T
I
M
A
A
F
K
GNTEGRT
S
D
M
R
T
E
I
I
R
M
M
E
S
ARPEDVSFQG
R
G
V
F
E
LSDEKAT
N
P
I
V
P
S
F
DMSNEGSYFFGDNAEEY------------------------------------------------------------------------------------
37
HHSearch
70.40
16%
-131
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
----------------------------------------------------------------------------------
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
KT--
C
---------
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
------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
66.48
13%
-127
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
----------------------------------------------------------------------------------
L
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
----
Q
VIQE
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
------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
64.61
17%
-145
- C2 -
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
L
K
--------------------------------------------------------------------------------------------------------------------
27
HHSearch
61.67
18%
-147
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-240]
----------------------------------------------------------------------------------
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
K
L
--------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
59.82
28%
-171
- C2 -
4EIY
18
AA2AR_HUMAN (first)
A:
[39-159]
----------------------------------------------------------------------------------------------
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
N
A
Y
I
Q
-----------
K
Y
L
E
--------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
59.80
28%
-162
- C2 -
3RFM
1
AA2AR_HUMAN
A:
[14-134]
----------------------------------------------------------------------------------------------
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
L
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
A
Q
--------
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
---------
L
R
Y
N
GL
V
T
---
G
T
R
A
A
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
------------
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
E
R
A
R
S
T
--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
V
H
----
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
-
F
F
C
P
D
----
C
---------
S
----
H
---
A
P
--------
L
W
----
L
M
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
59.49
28%
-163
- C2 -
3REY
1
AA2AR_HUMAN
A:
[14-134]
----------------------------------------------------------------------------------------------
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
L
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
A
Q
--------
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
---------
L
R
Y
N
GL
V
T
---
G
T
R
A
A
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
------------
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
E
R
A
R
S
T
--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
V
H
----
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
-
F
F
C
P
D
----
C
---------
S
----
H
---
A
P
--------
L
W
----
L
M
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
59.13
28%
-164
- C2 -
3UZA
1
AA2AR_HUMAN
A:
[14-134]
----------------------------------------------------------------------------------------------
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
L
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
A
Q
--------
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
---------
L
R
Y
N
GL
V
T
---
G
T
R
A
A
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
------------
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
E
R
A
R
S
T
--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
V
H
----
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
-
F
F
C
P
D
----
C
---------
S
----
H
---
A
P
--------
L
W
----
L
M
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
58.76
28%
-163
- C2 -
3UZC
1
AA2AR_HUMAN
A:
[14-134]
----------------------------------------------------------------------------------------------
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
L
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
A
Q
--------
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
---------
L
R
Y
N
GL
V
T
---
G
T
R
A
A
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
------------
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
E
R
A
R
S
T
--
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
V
H
----
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
-
F
F
C
P
D
----
C
---------
S
----
H
---
A
P
--------
L
W
----
L
M
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------------------------------------------------------