@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 : OR4S1_HUMAN: (2016-01-13 )
MGAKNNVTEFVLFGLFESREMQHTCFVVFFLFHVLTVLGNLLVIITINARKTLKSPMYFFLSQLSFADICYPSTTIPKMIADTFVEHKIISFNGCMTQLFSAHFFGGTEIFLLTAMAYDRYVAICRPLHYTAIMDCRKCGLLAGASWLAGFLHSILQTLLTVQLPFCGPNEIDNFFCDVHPLLKLACADTYMVGLIVVANSGMISLASFFILIISYVIILLNLRSQSSEDRRKAVSTCGSHVITVLLVLMPPMFMYIRPSTTLAADKLIILFNIVMPPLLNPLIYTLRNNDVKNAMRKLFRVKRSLGEK
Atome Classification :
(20 SA)
---.........10.---------------...---------------....20........30.......-.40........50.-.......60........70....-....80........90........100.--.---.....110------------------...-------...--------.120...---------...---------.130.......140.......150.......-------160...-----....170......--..180...-....------190.......200.......-----210-...--------------....220---.....-..---------------------.--------230----.-----------------.......240...---.------...250-----------------.----........--260-.------------.-----.---...---------..270---------...--..---..280.......290.......300.......------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MGAKN
N
V
T
E
F
V
L
---------------
F
G
L
---------------
F
ESRE
M
Q
H
T
C
F
V
V
F
F
L
F
H
V
L
T
V
L-G
N
L
L
V
I
I
T
IN
A
R
KT-LK
S
P
M
Y
F
F
L
S
QLSFADICYPST
T
-
I
P
K
M
I
A
D
T
F
V
EH
K
I
ISFN
G
C
M
T
Q
L
F
S
A
H--F---FGG
T
E
I
F
L
------------------
L
T
A-------MAY--------D
R
Y
V
A
I
C---------R
P
L
---------
H
Y
T
A
I
M
D
C
R
K
C
G
L
LA
G
A
S
W
L
A
G
F
L
H
S
I
L
Q
T
L
-------
L
T
VQLP-----FCG
P
N
E
-
I
D
N
F
F
C
--
D
V
H
P
L
L
K
L
-
A
CAD------
T
Y
M
V
G
L
I
V
V
ANS
G
M
I
S
L
A
S
F
-----
F
I
L
-
I
I
S
--------------
Y
V
I
I
L
L
----NLRSQ-S
S
---------------------
E
--------
D
R
-----
R
-----------------
K
A
V
S
T
C
G
S
H
V
I
T
V
---
L
------
L
V
LM-------------------P----P
M
F
M
Y
IRP--ST--T------------L-----A---A
D
K
---------
L
I
I
L
F
---------
N
IV--MP---
P
L
L
N
P
L
I
Y
T
LRNN
D
V
K
N
A
M
R
K
L
F
R
V
K
R
S
LGEK------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
91.18
21%
-140
- C4 -
2YCZ
2
ADRB1_MELGA
A:
[9-299]
----------------------------------------------------
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
-
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
-
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
--
F
G
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
---
C
V
T
A
S
I
E
T
------------------
L
C
V
-------
I
A
I
--------
D
R
Y
L
A
I
T
---------
S
P
F
---------
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
----
S
A
L
V
S
F
-------
L
P
I
M
M
H
-----
W
W
R
D
E
D
-
P
Q
A
L
K
C
--
Y
Q
D
P
-----
G
C
C
D
------
F
V
T
N
R
A
Y
A
I
A
S
----
S
I
I
S
F
-----
Y
I
P
-
L
L
I
--------------
M
I
F
V
A
L
----
R
V
Y
R
E
-
A
K
---------------------
E
--------
Q
I
-----
R
K
IDRASK
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
---
T
------
L
C
W
L
-------------------
P
----
F
F
L
V
N
I
V
N
V
F
N
R
--
D
------------
L
-----
V
---
P
D
W
---------
L
F
V
A
F
---------
N
W
L
G
Y
A
N
---
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
90.48
21%
-135
- C4 -
2YCW
7
ADRB1_MELGA
A:
[7-299]
--------------------------------------------------
S
Q
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
-
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
-
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
--
F
G
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
---
C
V
T
A
S
I
E
T
------------------
L
C
V
-------
I
A
I
--------
D
R
Y
L
A
I
T
---------
S
P
F
---------
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
----
S
A
L
V
S
F
-------
L
P
I
M
M
H
-----
W
W
R
D
E
D
-
P
Q
A
L
K
C
--
Y
Q
D
P
-----
G
C
C
D
------
F
V
T
N
R
A
Y
A
I
A
S
----
S
I
I
S
F
-----
Y
I
P
-
L
L
I
--------------
M
I
F
V
A
L
----
R
V
Y
R
E
-
A
K
---------------------
E
--------
Q
I
-----
R
K
IDRASKRKR
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
---
T
------
L
C
W
L
-------------------
P
----
F
F
L
V
N
I
V
N
V
F
N
R
--
D
------------
L
-----
V
---
P
D
W
---------
L
F
V
A
F
---------
N
W
L
G
Y
A
N
---
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
89.22
21%
-131
- C4 -
2YCX
3
ADRB1_MELGA
A:
[9-294]
----------------------------------------------------
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
-
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
-
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
--
F
G
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
---
C
V
T
A
S
I
E
T
------------------
L
C
V
-------
I
A
I
--------
D
R
Y
L
A
I
T
---------
S
P
F
---------
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
----
S
A
L
V
S
F
-------
L
P
I
M
M
H
-----
W
W
R
D
E
D
-
P
Q
A
L
K
C
--
Y
Q
D
P
-----
G
C
C
D
------
F
V
T
N
R
A
Y
A
I
A
S
----
S
I
I
S
F
-----
Y
I
P
-
L
L
I
--------------
M
I
F
V
A
L
----
R
V
Y
R
E
-
A
K
---------------------
E
--------
Q
I
-----
R
K
I
DRAS
K
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
---
T
------
L
C
W
L
-------------------
P
----
F
F
L
V
N
I
V
N
V
F
N
R
--
D
------------
L
-----
V
---
P
D
W
---------
L
F
V
A
F
---------
N
W
L
G
Y
A
N
---
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
89.06
21%
-137
- C4 -
2YCY
6
ADRB1_MELGA
A:
[10-299]
-----------------------------------------------------
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
-
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
-
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
--
F
G
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
---
C
V
T
A
S
I
E
T
------------------
L
C
V
-------
I
A
I
--------
D
R
Y
L
A
I
T
---------
S
P
F
---------
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
----
S
A
L
V
S
F
-------
L
P
I
M
M
H
-----
W
W
R
D
E
D
-
P
Q
A
L
K
C
--
Y
Q
D
P
-----
G
C
C
D
------
F
V
T
N
R
A
Y
A
I
A
S
----
S
I
I
S
F
-----
Y
I
P
-
L
L
I
--------------
M
I
F
V
A
L
----
R
V
Y
R
E
-
A
K
---------------------
E
--------
Q
I
-----
R
DRASKR
K
R
V
M
L
M
R
E
H
--
K
A
L
K
T
L
G
I
I
M
G
V
F
---
T
------
L
C
W
L
-------------------
P
----
F
F
L
V
N
I
V
N
V
F
N
R
--
D
------------
L
-----
V
---
P
D
W
---------
L
F
V
A
F
---------
N
W
L
G
Y
A
N
---
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
88.96
21%
-142
- C4 -
2VT4
8
ADRB1_MELGA
A:
[10-298]
-----------------------------------------------------
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
-
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
-
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
--
F
G
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
---
C
V
T
A
S
I
E
T
------------------
L
C
V
-------
I
A
I
--------
D
R
Y
L
A
I
T
---------
S
P
F
---------
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
----
S
A
L
V
S
F
-------
L
P
I
M
M
H
-----
W
W
R
D
E
D
-
P
Q
A
L
K
C
--
Y
Q
D
P
-----
G
C
C
D
------
F
V
T
N
R
A
Y
A
I
A
S
----
S
I
I
S
F
-----
Y
I
P
-
L
L
I
--------------
M
I
F
V
A
L
----
R
V
Y
R
E
-
A
K
---------------------
E
--------
Q
I
-----
R
E
H
---------------
K
A
L
K
T
L
G
I
I
M
G
V
F
---
T
------
L
C
W
L
-------------------
P
----
F
F
L
V
N
I
V
N
V
F
N
R
--
D
------------
L
-----
V
---
P
D
W
---------
L
F
V
A
F
---------
N
W
L
G
Y
A
N
---
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
83.94
25%
-137
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[18-304]
------------------------------------------------------------------
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
GWNNCGQ----
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
K
---------------------
Q
M
E
S
Q
PLPG
E
R
A
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
C
--
S
------------
H
-----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
83.14
25%
-131
- C4 -
3VG9
8
?
A:
[18-304]
------------------------------------------------------------------
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
GWNNCGQ----
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
K
---------------------
Q
M
E
S
Q
PLPG
E
R
A
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
C
--
S
------------
H
-----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
81.74
22%
-129
- C4 -
4LDL
3
ADRB2_HUMAN
A:
[197-463]
---------------------------------------------------------------------
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
T
--
K
T
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
Q
----------------------KFA
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
--
N
------------
L
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
81.66
22%
-128
- C4 -
4GBR
1
ADRB2_HUMAN
A:
[20-286]
---------------------------------------------------------------------
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
T
--
K
T
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
Q
---------------------
K
IDKFC
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
--
N
------------
L
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
81.57
22%
-131
- C4 -
4LDE
3
A:
[197-463]
---------------------------------------------------------------------
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
T
--
K
T
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
Q
----------------------KFAL----
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
--
N
------------
L
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
81.19
18%
-118
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-334]
----------------------------------------------------
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
LEWVT
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
79.25
15%
-111
- C4 -
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
35
HHSearch
78.75
18%
-120
- C4 -
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
DLYLK
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
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
77.68
20%
-141
- C1 -
3P4G
16
?
A:
[23-323]
-------
H
S
F
D
H
Y
I
G
---------------
S
A
F
---------------
D
A
S
---
N
N
N
V
A
V
T
G
N
V
S
A
T
L
N
V
L
A
G
D
D
K
V
S
I
D
G
N
V
E
D
V
-
L
V
A
A
N
V
A
V
L
D
M
G
T
G
N
D
Q
L
Y
V
A
G
D
-
V
L
G
K
I
-
D
A
G
T
G
N
D
E
I
Y
I
K
G
D
V
S
A
A
V
D
A
G
--
T
----
G
N
D
E
V
Y
I
------------------
G
G
N
-------
L
S
G
--------
D
--------------------------------
L
D
-------------
A
G
T
D
N
D
N
I
Q
I
G
-------
G
D
V
N
A
A
-----
L
N
A
G
T
G
-
N
D
N
L
I
I
G
H
D
V
S
G
I
V
N
M
G
T
D
N
D
------
T
V
E
V
G
R
T
I
N
A
S
G
K
V
L
L
D
T
G
D
-----
D
S
L
-
L
V
S
G
D
L
F
G
E
V
D
GGT
G
N
D
T
I
I
I
A
G
K
V
S
G
N
I
Q
G
G
-
T
G
---------------------
N
--------
D
I
-----
V
-----------------
R
V
Q
S
Q
V
W
A
E
A
N
I
S
---
L
GTGD
D
V
L
I
V
E
-------------------
H
----
E
L
H
G
T
V
A
G
--
N
E
--
G
-----------------------
D
D
---------
S
I
Y
L
K
---------
F
Y
T
--
K
E
---
Q
Y
N
N
-------
N
S
D
L
R
N
R
V
A
N
F
E
H
I
R
V
S
D
G
V
V
KGSPADFADY--------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
76.87
16%
-106
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---
M
N
G
T
E
G
P
N
F
Y
V
P
FSNKTGVVRSPFEAP
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
GMQC
S
C
G
I
-----------
D
Y
Y
T
P
H
E
E
-
T
N
N
E
------
S
F
V
I
Y
M
F
V
V
H
F
-----
I
I
P
L
-----
I
V
I
-
F
F
C
--------------
Y
G
Q
L
V
F
----
T
V
K
E
A
A
A
S
---------------------
A
--------
T
T
-----
Q
-----------------
K
A
E
K
E
V
T
R
M
V
I
I
M
---
V
------
I
A
F
L
-------------------
I
----
C
W
L
P
Y
A
G
V
--
A
F
--
Y
------------
I
-----
F
---
T
H
Q
GSDFGPIFM
T
I
P
A
F
---------
F
A
K
--
T
S
---
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
S
T
T
VSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
75.46
16%
-114
- C4 -
1U19
14
OPSD_BOVIN
A:
[41-328]
-------------------------------------------------------
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
-
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
-
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
--
L
---
G
G
E
I
A
L
W
S
------------------
L
V
V
-------
L
A
I
--------
E
R
Y
V
V
V
C
---------
K
P
M
---------
S
N
F
R
F
-
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
-------
G
W
S
R
Y
I
-----
P
----
E
-
G
M
Q
C
S
C
--
G
I
D
Y
Y
T
P
----
H
E
------
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
-----
I
V
I
-
F
F
C
--------------
Y
G
Q
L
V
F
----
T
V
K
E
A
-
A
A
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
G
------------
S
DFG--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
72.17
18%
-90
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---
M
N
G
T
E
G
P
N
F
Y
V
P
---------------
F
S
N
KTGVVRSPFEAPQYY
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
-----------
D
Y
Y
T
P
H
E
E
-
T
N
N
E
------
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
-----
C
Y
G
-
Q
L
V
--------------
F
T
V
K
E
A
----
A
A
Q
Q
Q
-
E
S
---------------------
A
--------
T
T
-----
Q
-----------------
K
A
E
K
E
V
T
R
M
V
I
I
M
---
V
------
I
A
F
L
-------------------
I
----
C
W
L
P
Y
A
G
V
--
A
F
--
Y
------------
I
-----
F
---
T
H
Q
GSDFGPIFM
T
I
P
A
F
---------
F
A
K
--
T
S
---
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
DEA
S
T
T
V
S
K
TETSQVAPA------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
70.23
18%
-108
- C4 -
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
-
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
SPS
L
------
N
A
A
K
-------------------
S
----
E
L
D
K
A
I
G
R
--
N
T
NG
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ-
48
Fugue
69.69
14%
-140
* C3 *
4JND
2
FEM2_CAEEL
A:
[18-441]
EDH
I
G
D
R
R
R
S
V
R
S
L
L
---------------
E
E
A
---------------
F
A
D
E
M
E
K
T
S
Y
D
V
E
V
I
A
G
P
V
H
D
V
F
-
G
D
A
I
H
D
I
F
Q
K
M
M
K
R
G
Q
A
V
D
F
C
H
W
V
S
H
L
I
A
T
E
I
D
E
K
F
S
E
-
V
A
F
R
D
V
Q
Y
N
P
D
I
Y
V
T
D
S
T
T
E
A
K
K
L
F
N
D
K
--
I
---
W
P
A
I
D
K
I
L
Q
QNAETCPILS
E
K
W
S
G
I
H
V
S
G
-------
D
Q
L
KGQRHKQE
D
R
F
L
A
Y
P
NGQYMDRGE
D
P
I
---------
S
V
L
A
V
F
D
G
H
--
G
G
H
E
C
S
Q
Y
A
A
G
H
L
W
E
T
W
L
E
V
-------
R
K
S
R
D
P
-----
S
D
S
L
E
D
Q
L
R
K
S
L
E
--
L
L
D
E
R
M
T
V
-
R
S
V
K
E
CWK
G
G
S
T
A
V
C
C
A
I
D
M
D
Q
K
L
M
A
L
A
W
L
G
DS
P
G
Y
V
M
-
S
N
I
--------------
E
F
R
Q
L
T
----
R
G
H
S
P
-
S
D
---------------------
E
--------
R
E
-----
A
-----------------
R
R
V
E
E
A
G
G
Q
L
F
V
I
---
G
------
G
E
L
R
V
NGVLNLTRALGDVPGRPM
I
----
S
N
E
P
E
T
C
Q
--
V
P
--
I
------------
E
-----
S
---
S
D
Y
---------
L
V
L
L
A
C
D
G
I
S
D
V
FN
E
R
D
--
L
Y
---
Q
L
V
E
A
F
A
N
D
Y
P
V
E
D
Y
A
E
L
S
R
F
I
C
T
K
A
I
E
A
G
S
A
D
N
V
S
V
V
I
G
F
LRP
P
Q
D
V
W
K
L
M
KH--------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
68.39
17%
-107
- C4 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------