@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 : OR5K4_HUMAN: (2016-01-13 )
MARENHSLAAEFILIGFTNYPELKTLLFVVFSAIYLVTMVGNLGLVALIYVERRLLTPMYIFLGNLALMDSCCSCAVTPKMLENFFSEDRIISLYECMAQFYFLCLAETTDCFLLATMAYDRYVAICHPLQYHTMMSKTLCIRMTTGAFKAGNLHSMIHVGLLLRLTFCRSNKIHHFFCDILPLYRLSCTDPSINELMIYIFSIPIQIFTIATVLISYLCILLTVFKMKSKEGRGKAFSTCASHFLSVSIFYICLLMYIGPSEEGDKDTPVAIFYAIVIPLLNPFIYSLRNKEVINVLKKIMRNYNILKQTCSIANLFLIY
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-.........320-------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------------------------------------------------MARE
N
H
S
L
---------------------
A
A
E
F
I
L
-
I
GFTN
Y
P
E
L
K
T
L
L
F
V
V
---------
F
S
A
I
-------
Y
L
----------
V
T
M
VGN
L
G
---------------
L
V
--
A
L
-
I
Y
V
E
-
R
R
LL
T
P
M
----
Y
I
F
L
--------
G
N
L
A
L
M
D
-------
S
C
C
SCAV-
T
P
K
M
L
E
N
F
F-SE--D
R
I
I
S
----
L
Y
E
C
--
M
A
Q
-
F
Y
F
L
C
LAE-TT
D
--------
C
F
-----
L
-
L
A
T
M
AYD
R
--
Y
V
A
I
CH
P
L
--
Q
Y
H
T
M---MS
K
T
L
C
I
R
MTTG----AFKAG
N
L
H
S
M
I
H
V
G
L
L
--
L
R
L
T
F
-CRSNK
I
H
H
F
F
C
D
I
L
P
L
-Y--R--LSC------T--------DP
S
I
--
N
E
L
M
I
-----
Y
-------------
I
F
SI
P
I
Q
I
F
---
T
I
--------
A
T
V
L
I
S
Y
L
C
I
---
L
L
T
V
-----------
F
K
---MKSK--------E-----------------GRG
K
-
A
F
S
T
C
A
S
-
H
-----
F
L
S
V
S
I
F
Y
I
C
-
L
L
M
-------------------YIG---PSEE------------------G--------DKDTP
V
A
I
F
Y
A
I
V
I
P
L
L
N
P
F
I
Y
-
S
LR
N
K
E
V
I
N
V
L
K
K
-
I
M
---
R
N
Y
-
N
I
L
K
Q
---
T
C
SIA
N
L
F
L
IY--------------------
30
HHSearch
88.21
17%
-139
- 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
FGPLEWV---------
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
D
D
K
E
T
E
D
D
K
D
--------------------
41
Fugue
83.71
18%
-125
- C4 -
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
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
DYYTPHE
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
KEAAASA----
T
T
---
Q
K
A
E
--------
K
-----------------
E
V
T
R
-
M
V
I
I
M
V
I
-
A
-----
F
L
I
C
W
L
P
Y
A
G
-
V
A
F
-------------------
Y
I
F
T
H
Q
G
S
D
F
------------------
G
--------
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
-
I
M
M
N
K
Q
F
R
N
C
M
V
T
-
T
L
---
C
C
G
-
K
N
P
S
T
---
T
V
S
K
T
E
T
S
Q
V
A
P
A------------------
42
Fugue
81.48
17%
-119
- C4 -
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
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M
--
Q
--
C
S
C
G
I
DYYT
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
KEAAAQQQESA
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
SDF---------------
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
CG
K
N
P
-
L
G
D
D
E
---
A
S
T
T
V
S
K
T
E
T
S
QVAPA---------------
31
HHSearch
81.24
17%
-117
- C4 -
1U19
14
OPSD_BOVIN
A:
[38-329]
--------------------------------------------------------------------------------------------------------------
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
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
QGSDF---------
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
D
E
A
S
T
T
V
S
K
T
--------------------
32
HHSearch
80.85
18%
-133
- C4 -
2KS9
1
NK1R_HUMAN
A:
[33-326]
-----------------------------------------------------------------------------------------------------------------
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
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
DLYLKKFI
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
D
Y
E
G
L
E
M
K
S
T
--------------------
44
Fugue
73.96
20%
-160
* C3 *
4Y97
-
DPOA2_HUMAN
A:
[157-598]
PS
Q
K
Y
N
S
RSNRGEVVTSFGLAQGVSWSGRGGA
G
N
I
S
L
K
V
L
G
C
P
E
ALTGSYKSMFQK
L
P
D
I
R
E
V
L
T
C
K
I
E
E
L
G
S
E
L
---------------------
K
E
H
Y
K
I
-
E
A
F
T
P
L
L
A
P
A
Q
E
P
V
T
L
---------
L
G
Q
I
-------
G
C
DSNGKLNNKS
V
I
L
E
G
D
R
E
---------------
H
S
SG
A
Q
-
I
P
V
D
-
L
S
E
L
K
E
Y
----
S
L
F
P
--------
G
Q
V
V
I
M
E
G
I
NTTGR
K
L
V
A
T
K
L
-
Y
E
G
V
P
L
P
F
Y
-
Q
P
--
T
E
E
D
A
----
D
F
E
---
Q
S
M
-
V
L
V
A
C
G
P
Y
-
T
T
S
DSITY
D
P
L
L
D
-----
L
-
I
A
V
I
N
H
D
R
PD
V
C
I
L
F
G
P
F
LD
A
K
H
E
Q
---
V
E
N
C
L
L
T
S
P
F
E
D
----
I
F
K
Q
-
C
L
R
T
I
I
E
G
T
R
S
SG
S
H
L
V
F
-
V
P
S
L
R
D
V
H
H
-
E
P
V
Y
P
Q
-
P
--
P
--
F
S
Y
------
S
--------
D
L
S
R
E
-
D
K
K
Q
V
-----
Q
-------------
F
V
S
E
P
C
S
L
S
I
NG
V
I
--------
F
G
L
T
S
T
D
L
L
F
---
H
L
G
A
-----------
E
E
---
I
S
S
S
--------
S
-----------------
G
T
S
D
-
R
F
S
R
I
L
K
-
H
-----
I
L
T
Q
R
S
Y
Y
P
L
-
Y
-----------------------
P
---
P
Q
E
D
------------------
M
--------
A
I
D
Y
E
S
F
Y
V
Y
A
Q
L
P
V
T
P
D
V
L
I
I
P
S
E
L
R
Y
F
V
K
D
V
L
G
C
-
V
C
---
V
N
P
-
G
R
L
T
K
GQ
V
G
G
T
F
A
R
L
Y
L
R
R
P
A
ADGAERQSPCI
A
V
Q
V
V
R
I
48
Fugue
72.72
14%
-145
- C1 -
3ZPJ
-
?
A:
[1-356]
---------------------------------------------------------M
T
T
L
E
E
I
N
L
L
V
E
R
G
Y
Y
E
E
---------------------
A
L
A
K
V
Y
-
E
I
E
D
P
I
E
Q
V
Q
V
L
T
K
I
V
---------
V
T
I
Y
Q
H
DGPME
W
I
----------
P
S
I
M
E
D
A
M
---------------
Y
I
--
A
K
K
L
R
D
P
-
A
N
K
A
V
A
Y
----
S
I
I
A
--------
S
T
L
A
I
M
E
-------
Y
E
E
D
A
M
D
-
F
F
N
R
A
I
D
E
A
-
N
E
IE
S
P
I
E
K
----
G
M
V
L
--
S
T
L
-
A
Y
H
L
A
I
A
G
Y
P
D
N
--------
A
L
-----
E
-
I
F
N
I
A
F
D
T
--
I
I
G
A
E
T
S
Y
--
T
H
K
V
D
---
G
I
L
R
I
G
D
L
L
E
K
A
----
G
D
T
L
P
S
N
E
A
M
D
F
Y
K
M
A
--
F
D
I
F
D
K
L
H
V
N
Q
R
A
A
I
V
E
K
K
I
E
L
-
A
--
K
T
V
Y
D
V
------
G
--------
L
P
Q
I
--
R
A
A
L
L
K
GK
N
H
Y
-------------
A
L
A
I
I
K
K
K
Y
---
S
G
--------
V
M
R
L
I
G
E
L
E
V
---
A
L
W
M
-----------
K
R
V
NN
M
E
Y
L
--------
D
-----------------
V
V
D
K
-
A
F
E
C
C
E
S
P
R
-----
F
T
D
V
N
V
Q
H
I
A
R
L
L
T
-------------------
E
L
G
---
N
L
R
R
------------------
A
--------
L
K
F
A
K
E
I
Q
N
I
H
K
R
S
E
A
L
K
A
I
A
L
-
E
L
V
R
R
K
K
F
E
E
V
K
K
-
I
I
---
E
S
I
P
D
P
K
I
R
---
E
E
A
L
N
E
I
G
T
I
E
--------------------
34
HHSearch
72.27
19%
-117
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
--------------------------------------------------------------------------------------------------------------
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
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
--------------------------------------
25
HHSearch
66.53
20%
-132
- C4 -
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
P
V
Y
D
S
L
D
A
--------------------
50
Fugue
64.19
21%
-134
- C2 -
4OPU
3
?
A:
[2-453]
--------------------------------------------M
K
E
L
K
Y
D
V
L
I
I
G
GG
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
V
D
SKPWNRIGDKPCGDAVS
K
A
H
F
D
K
-
L
G
M
P
-
Y
P
K
G
E
E
L
E
N
K
I
N
G
I
K
L
Y
S
PD
M
Q
T
V
-------
W
T
----------
V
N
H
E
G
-
F
E
---------------
L
N
--
A
P
-
L
Y
N
Q
-
R
V
L
K
E
A
Q
D
R
G
V
E
I
W
D
--------
L
T
T
A
M
K
P
-------
I
F
E
D
G
Y
V
-
K
G
A
V
L
F
N
R
R
-
T
N
--
E
E
L
T
V
Y
S
K
V
V
V
E
A
TG
Y
S
R
-
S
F
R
S
K
L
P
P
-
E
L
P
--------
I
T
E
D
L
D
D
K
-
D
A
D
V
A
Y
R
E
--
V
L
L
T
K
E
D
I
--
E
D
H
D
Y
---
L
R
I
F
I
D
Q
E
T
S
P
G
G
Y
W
W
Y
F
P
K
G
K
--
N
K
V
N
V
G
L
G
--
I
Q
G
G
M
--
G
Y
P
S
I
H
E
Y
Y
K
K
Y
L
D
K
-
Y
AP
D
--
V
D
K
------
S
--------
K
L
L
V
--
K
G
G
A
L
-----
V
P
TRRPLYTMAWNG
I
I
V
I
G
D
S
G
F
---
T
V
NPVHGGG
K
G
S
A
M
I
S
G
Y
C
A
A
K
A
I
L
S
A
-----------
F
E
---
T
G
D
F
--------
S
-----------------
A
S
G
L
W
D
M
N
I
C
Y
V
-
N
E
Y
G
A
K
Q
A
S
L
D
I
F
R
R
F
-
L
Q
K
LS
N
D
D
I
N
Y
G
M
K
K
KIIK
E
E
D
L
L
E
---
A
S
E
K
------------------
G
--------
D
L
H
L
S
V
A
D
K
A
M
R
V
I
S
G
L
G
R
P
S
L
-
L
F
K
L
K
A
V
A
E
S
M
K
K
-
I
K
---
E
L
Y
L
N
Y
P
R
S
---
P
S
S
L
G
S
W
R
R
E
V
D
N
V
L
T
E
F
N
K
S
L
S--------
28
HHSearch
63.96
18%
-160
- C4 -
3EML
8
ENLYS_BPT4
A:
[21-222]
----------------------------------------------------------------------------------------------------------------
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
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
V
Y
D
S
L
D
A
--------------------
26
HHSearch
62.09
21%
-137
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-201]
------------------------------------------------------------------------------------------------------------------
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
V
Y
D
S
L
D
A
--------------------
23
HHSearch
61.67
17%
-144
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-241]
-------------------------------------------------------------------------------------------------------------
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
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
P
V
Y
D
S
L
D
--------------------
22
HHSearch
60.34
16%
-146
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[23-216]
----------------------------------------------------------------------------------------------------------------
V
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
L
K
P
V
Y
D
S
L
D
A
--------------------
33
HHSearch
58.94
17%
-145
* C4 *
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
-------------------------------------------------------------------------------------------------------------------
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
A
K
L
K
P
V
Y
D
S
L
--------------------
49
Fugue
56.18
12%
-131
- C3 -
3MK7
3
CCOP1_PSEST
C:
[1-303]
----------------------------------------------------------------------
M
S
T
F
W
---------------------
S
G
Y
I
A
L
-
L
T
L
G
T
I
V
A
L
F
W
L
I
F
A
T
---------
R
K
G
E
-------
S
A
----------
G
T
T
D
Q
T
M
G
H
AFDG
I
E
E
Y
DNPLP
R
W
W
--
F
L
-
L
F
I
G
-
T
L
V
F
G
I
L
----
Y
L
V
L
Y
PGLGNWK
G
V
L
P
G
Y
E
-------
G
G
W
T
-
Q
E
-
K
Q
W
E
R
E
V
A
Q
-
A
D
--
E
K
Y
G
P
----
I
F
A
K
--
Y
A
A
-
M
S
V
E
E
V
A
Q
-
D
P
Q
--------
A
V
-----
K
-
M
G
A
R
L
F
A
N
--
Y
C
S
I
C
H
G
-----
S
D
A
---
K
G
S
L
G
F
P
N
L
A
D
Q
----
D
W
R
W
G
G
D
A
A
S
I
K
T
S
I
L
--
N
G
R
I
-------------
A
A
M
P
A
-
W
--
G
--
Q
A
I
------
G
--------
E
E
G
V
--
K
N
V
A
A
-----
F
-------------
V
R
K
D
L
A
---------------------------------------------
G
---
L
P
L
P
--------
E
-----------------
G
T
D
A
-
D
L
S
A
G
K
N
-
V
-----
Y
A
Q
T
-------
C
A
V
-------------------
C
H
G
---
Q
G
G
E
------------------
G
--------
M
A
A
-----
L
G
A
P
K
L
N
S
A
A
G
W
I
Y
-
G
S
S
L
G
Q
L
Q
Q
T
I
R
H
G
R
N
---
G
Q
M
-
P
A
Q
Q
Q
---
Y
L
G
D
D
K
V
H
L
L
A
A
Y
V
Y
S
L
S
Q------------
19
PsiBlast_PDB
55.71
30%
-117
- C4 -
4XEE
1
?
A:
[32-152]
----------------------------------------------------------------------------------------------------------------
K
V
L
V
T
A
I
---------
Y
L
A
L
-------
F
V
----------
V
G
T
V
G
N
S
-----------------
V
--
T
L
-
F
T
L
A
-
R
K
--
S
T
V
----
H
Y
H
L
--------
G
S
L
A
L
S
D
-------
L
L
I
L
L
L
A
-
M
P
V
E
L
Y
N
F
I
-
W
V
--
H
H
P
W
A
----
F
G
D
A
--
G
C
R
G
Y
Y
F
L
R
D
A
C
-
T
Y
A
--------
T
A
-----
L
N
V
A
S
L
S
V
E
R
--
Y
L
A
I
C
H
P
F
--
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
----
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
--
G
L
Q
N
R
-
S
A
D
G
T
H
P
G
G
L
V
C
T
P
I
V
-
D
--
T
--
A
T
V
------
K
--------
V
V
I
Q
--
V
N
T
F
M
-----
S
-------------
F
L
F
P
M
L
V
I
S
---
I
L
--------
N
T
V
I
A
N
K
L
T
V
---
M
V
P
G
-----------
R
V
---
Q
A
L
R
--------
H
-----------------
G
V
L
V
-
L
R
A
V
V
I
A
-
F
-----
V
V
C
W
L
P
Y
H
V
R
-
R
L
M
-------------------
F
C
Y
---
I
S
D
E
------------------
Q
--------
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
-
S
S
A
I
N
P
I
L
Y
N
L
V
S
-
A
N
---
F
R
Q
-
V
F
L
S
T
---
L
N
I
F
E
M
L
R
I
D
E
--------------------
29
HHSearch
54.25
17%
-131
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[60-251]
-------------------------------------------------------------------------------------------------------------
E
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
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
--------------------
13
PsiBlast_PDB
53.60
27%
-118
- C4 -
3NY9
4
ADRB2_HUMAN (first)
A:
[46-156]
---------------------------------------------------------------------------------------------------------------------
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
W
-----
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
---
L
D
A
V
R
R
A
A
L
I
N
--------------------
12
PsiBlast_PDB
53.37
27%
-119
- C4 -
3NY8
7
ENLYS_BPT4
A:
[46-156]
---------------------------------------------------------------------------------------------------------------------
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
W
-----
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
---
L
D
A
V
R
R
A
A
L
I
N
--------------------