@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 : OR1Q1_HUMAN: (2016-01-12 )
MDNSNWTSVSHFVLLGISTHPEEQIPLFLVFSLMYAINISGNLAIITLILSAPRLHIPMYIFLSNLALTDICFTSTTVPKMLQIIFSPTKVISYTGCLAQTYFFICFAVMENFILAVMAYDRYIAICHPFHYTMILTRMLCVKMVVMCHALSHLHAMLHTFLIGQLIFCADNRIPHFFCDLYALMKISCTSTYLNTLMIHTEGAVVISGALAFITASYACIILVVLRIPSAKGRWKTFSTCGSHLTVVAIFYGTLSWVYFRPLSSYSVTKGRIITVVYTVVTPMLNPFIYSLRNGDVKGGFMKWMSRMQTFFFR
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)
----------------MDNSNWT
S
V
S
H
F
V
L
L
G-----------IS-THPEEQ
I
P
L
F
L
V
F
S
L
M
--
Y
A
I
NISG---
N
-------------
L
A
I
I
T
L
I
LSAPRLH
I
P
M
Y
I
F
L
SNLA
L
T
D
I
CFTST
T
-
V
P
K
M
L
Q
I
I
F---SPT
K
V
I
S
Y
T
G
C
L
A
Q
T
Y
F
F
I
C
F
A
V
M
E
N
F
I
L
A
V
M
AYD
R
-----
Y
I
A
I
CH
P
F
H
Y
T
M
-
I
L
T
R
M
L
C
V
K
M
V
V
M
C
H
A
L
S
H
L
--
H
A
M
L
H
T
F
L
-
I
G
Q
L
-----
I
F
C------ADNR
I
P
---
H
F
F
-----
C
--
D
L
Y
A
L
M
K
ISC
T
S
T
Y
L
--
N
T
L
M
I
HTE--
G
A
V
V
IS
G
A
------
L
A
F
I
T
A
--------------
S
Y
A
--------
C
I
I
L
V
V
L
R----IPS-----------A--------------------K-----GRWK
T
F
---
S
TCGS----------
H
L
T
V
V
A
I
F
Y
GT--
L
S
W
V
Y
F
R
PLSS---Y------------S--------V-----------TK
G
R
-------
I
I
--------
T
V
V
Y
T
V
V
T
P
----------------
M
L
N
P
F
I
Y
-----
S
L-RNGD--------VK
G
G
F
M
K
W
M
S
R
M
Q
T
F
FFR------------------------------------------------------------------------------------------------------------------
42
HHSearch
93.70
17%
-152
- C5 -
2Z73
5
OPSD_TODPA
A:
[32-333]
-------------------------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
--
G
I
I
G
C
G
G
---
N
-------------
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
---
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
-----
Y
N
V
I
G
R
P
M
A
A
S
K
-
K
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
--
W
A
I
G
P
I
F
G
-
W
G
A
Y
-----
T
L
----------
E
G
V
---
L
C
N
-----
C
--
S
F
D
Y
I
-----
S
R
D
S
T
--
T
R
S
N
I
L
C
M
--
F
I
L
G
F
F
G
P
------
I
L
I
I
F
F
--------------
C
Y
F
--------
N
I
V
M
S
V
S
N
----
H
E
K
-----------
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
-----
A
E
M
R
L
A
---
K
I
S
I
V
----------
I
V
S
Q
F
L
L
S
W
S
P
--
Y
A
V
V
A
L
L
A
Q
F
G
---
P
LEW---------
V
--------
T
-----------
P
Y
A
A
-------
Q
L
--------
P
V
M
F
A
K
A
S
A
----------------
I
H
N
P
M
I
Y
-----
S
V
-
S
H
P
K
--------
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
------------------------------------------------------------------------------------------------------------------
56
Fugue
82.68
20%
-167
- C3 -
4RNZ
9
?
A:
[1-369]
----------------
M
E
R
L
V
W
D
K
L
T
L
L
G
F
L
E
K
N
HIPQ
K
L
Y
Y
N
L
S
-
S
Q
D
K
E
L
S
A
E
I
Q
S
N
V
T
Y
--
Y
T
L
R
D
A
N
---
N
-------------
T
L
I
Q
A
L
I
P
I
S
Q
D
L
Q
I
H
I
Y
K
K
G
E
D
Y
F
L
D
F
I
P
I
I
F
T
R
-
K
E
K
T
L
L
L
S
L
---
Q
T
S
---
P
Y
Q
D
I
I
K
A
T
N
D
P
L
L
A
N
Q
L
M
N
A
Y
K
K
S
V
P
F
K
R
LVKN
D
K
I
A
I
V
Y
T
R
D
Y
R
V
G
Q
A
F
G
Q
P
T
I
K
M
A
M
V
S
S
R
S
N
Q
Y
--
Y
L
F
S
H
S
N
---
G
H
Y
-----
Y
D
S
------
K
A
Q
E
V
A
---
G
F
L
---------
L
E
T
P
V
K
Y
T
R
I
S
S
P
F
--
S
Y
G
R
F
H
R
P
HY
G
V
D
Y
A
A
K
H
------
G
S
L
I
H
S
--------------
A
------------------------------------
S
--------------------
D
-----
G
R
V
G
F
M
---
G
V
K
A
G
----------
Y
G
K
V
V
E
I
H
L
N
E
--
L
R
L
V
Y
A
H
-
M
S
A
---
F
------------
A
NGLKKG
S
F
V
-----------
K
K
G
Q
-------
I
I
G
R
V
G
STG
P
H
L
H
F
G
V
Y
K
N
SR--------------
P
I
N
P
L
G
Y
IRT
A
K
S
K
-
L
H
G
K
--------
Q
R
E
V
F
L
E
K
A
Q
R
S
K
Q
K
L
E
E
L
L
K
T
H
SFEKNSFYLLEGFLEHHHH------------------------------------------------------------------------------------------
40
HHSearch
81.60
15%
-151
- C5 -
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
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
LYLKKF--
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
------------------------------------------------------------------------------------------------------------------
49
Fugue
80.03
16%
-127
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------MN
G
T
E
G
PNFY
V
P
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
QC
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
S
T
T
VSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------
50
Fugue
78.22
16%
-136
- C5 -
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
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
KSPS
L
N
A
-----------
A
--------------------
K
-----
S
E
L
D
K
A
IGR
N
T
N
G
V
IT
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
M
G
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
41
HHSearch
76.09
15%
-129
- C5 -
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
-----------
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
QGS
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
L
G
D
------------------------------------------------------------------------------------------------------------------
37
HHSearch
75.30
15%
-137
- C5 -
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
---
R
TQVIQE
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
-----------------------------------------------------------------------------------------------------------------------
51
Fugue
74.57
16%
-112
- C5 -
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
GM
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
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------------------------------------------------------------------------------------------------
55
Fugue
74.33
18%
-171
- C2 -
4L9B
5
?
A:
[2-393]
VLKGINFP
E
N
E
A
S
I
L
D
L
A
M
Q
N
R
S
G
V
L
D
G
M
T
I
D
-----------
I
L
-
N
T
T
S
N
Q
L
A
L
F
H
G
T
A
V
L
QG
Y
G
I
E
I
T
G
---
A
PD
V
L
V
D
TTGQSN
E
T
M
L
L
C
L
T
I
D
L
N
Q
V
N
V
P
S
G
---
T
A
V
D
Y
K
Q
I
R
L
E
F
L
D
-
V
P
T
L
L
K
Q
Y
W
RDH
S
L
H
D
L
I
D
P
R
R
V
I
S
M
P
L
Y
W
I
T
F
G
Q
T
G
T
T
P
L
Y
E
Q
I
K
S
N
-----
Y
I
D
N
S
G
N
P
A
Y
-----------
G
I
A
A
R
C
E
N
F
N
H
F
I
N
K
V
A
V
Q
S
I
P
-
I
N
G
V
-----
A
N
R
P
V
S
ST
A
S
Q
L
T
N
Y
---
K
V
W
-----
R
--
N
P
Y
L
C
S
Q
D
P
R
D
K
F
A
P
--
D
N
L
V
I
E
E
D
--
G
I
Y
R
I
D
I
S
------
G
S
I
N
I
A
--------------
N
Y
T
F
PARVG
G
R
Y
F
Q
I
V
C
A
R
----
N
S
S
-----------
A
--------------------
N
NLAEF
G
A
E
Q
H
L
---
P
P
S
G
V
----------
W
T
R
R
V
L
V
G
E
Y
T
AG
M
T
E
Q
A
F
S
S
V
A
T
---
I
------------
S
--------
L
-----------
F
K
G
D
-------
N
F
--------
F
L
Q
F
E
T
G
T
N
TSRDSAYNNGYGTS
G
T
H
L
R
N
F
S
Y
-----
T
L
E
R
V
G
D
--------
L
N
G
T
A
Y
Y
D
N
G
T
F
------------------------------------------------------------------------------------------------------------------------
34
HHSearch
70.50
20%
-173
- C5 -
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
L
K
P
------------------------------------------------------------------------------------------------------------------
33
HHSearch
68.93
22%
-156
- C5 -
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
L
K
P
------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
65.64
27%
-166
- C5 -
4QKX
2
ADRB2_HUMAN
A:
[183-316]
----------------------------------------------------
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
C
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
F
A
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
------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
65.63
16%
-158
- C5 -
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
L
K
P
------------------------------------------------------------------------------------------------------------------
35
HHSearch
65.27
17%
-167
- C5 -
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
K
L
K
------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
64.90
26%
-166
- C5 -
4GPO
-
ADRB1_MELGA
A:
[16-145]
--------------------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
64.62
26%
-162
- C5 -
2Y01
7
ADRB1_MELGA
A:
[16-145]
--------------------------------------------------------
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
S
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
-------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
64.48
27%
-168
- C5 -
4LDE
3
A:
[183-316]
----------------------------------------------------
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
---
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
F
A
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
------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
64.25
26%
-167
- C5 -
2Y00
7
ADRB1_MELGA
A:
[16-145]
--------------------------------------------------------
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
S
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
-------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
64.17
27%
-167
- C5 -
3SN6
1
R:
[183-316]
----------------------------------------------------
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
---
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
-----
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
I
D
K
S
E
G
R
----
C
L
K
-----------
E
--------------------
H
-----
K
A
L
K
T
L
---
G
I
I
M
G
----------
T
F
T
L
C
W
L
P
F
F
I
--
V
N
I
V
H
V
I
Q
D
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
----------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
64.05
26%
-163
- C5 -
2YCZ
2
ADRB1_MELGA
A:
[16-145]
--------------------------------------------------------
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
D
R
A
----
S
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
R
L
L
A
F
--------------------------------------------------------------------------------------------------------------------