@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 : GPR83_HUMAN: (2016-01-10 )
MVPHLLLLCLLPLVRATEPHEGRADEQSAEAALAVPNASHFFSWNNYTFSDWQNFVGRRRYGAESQNPTVKALLIVAYSFIIVFSLFGNVLVCHVIFKNQRMHSATSLFIVNLAVADIMITLLNTPFTLVRFVNSTWIFGKGMCHVSRFAQYCSLHVSALTLTAIAVDRHQVIMHPLKPRISITKGVIYIAVIWTMATFFSLPHAICQKLFTFKYSEDIVRSLCLPDFPEPADLFWKYLDLATFILLYILPLLIISVAYARVAKKLWLCNMIGDVTTEQYFALRRKKKKTIKMLMLVVVLFALCWFPLNCYVLLLSSKVIRTNNALYFAFHWFAMSSTCYNPFIYCWLNENFRIELKALLSMCQRPPKPQEDRPPSPVPSFRVAWTEKNDGQRAPLANNLLPTSQLQSGKTDLSSVEPIVTMS
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.----..---......330.---.......340.......350.......360.......370.......380.......390.......400.......410.......420.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MV
P
H
L
L
L
L
C
L
L
P
L
VRATEPHEGRADEQSAE
A
A
LAVP
N
A
S
HFFSWNNY
T
F
S
D
W
Q
N
F
V
G
R
RRYGAESQNP
T
-
V
K
A
L
L
I
V
A
-
Y
S
F
I
I
V
F
S
L
F
G
N
V
L
V
C
H
V
I
FKNQRMHSA
T
S
L
F
I
V
N
L
A
V
A
D
I
M
I
T
L
LN-T
P
F
T
L
V
R
F
V-NS
T
W
I
FGKG
M
C
H
V
S
R
F
A
Q
Y
C
S
L
H
V
S
A
L
T
L
T
A
I
AVD
R
H
Q
V
I
MH---PL-K------P---
R
I
-----
S
IT--K
G
V
I
Y
I
A
V
I
W
T
M
A
T
F
F
S
-
L
P
H
A
I
C
Q
K
L
F
TFKY
S
E
--
D
I
V
R
S
L---CLPD-FP
E
---
P
A
D
L
-
F
W
-
K
-
Y
L
D
L
A
T
F
I
L
L
Y
I
L
P
L
L
I
I
S
V
A
Y
A
R
V
A
K
K
L
--------------------------------------
W
L
C
N
M
I
GDV
T
--------
T
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
Q
Y
F
A
L
R
R
K
K
K
---------
K
T
I
K
M
L
M
L
V
V
V
L
F
A
L
C
W
F
P
L
N
C
Y
V
L
L
LS----------
S
K
V
----------I--R----TN---
N
A
L
Y
F
A
F
H
-
W
---
F
AMSSTCYN
P
F
I
Y
C
W
LNEN
F
R
I
E
L
K
A
L
L
S
M
CQRPPKPQEDRPPSPVP
S
F
R
V
A
W
TEKNDGQRAPLANNLL
P
T
S
Q
LQSGKTDLSSVE
P
I
V
TMS
26
HHSearch
90.60
25%
-143
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-----------------------------------------------------------------------
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
LL---
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
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
TGT--
W
-----------------------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
K
F
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
L
-------------------------------------------------------------
8
PsiBlast_PDB
84.94
27%
-159
- C4 -
4RWD
7
C562_ECOLX (first)
A:
[108-406]
---------------------------------------------------------
Q
K
Y
L
G
A
R
S
A
S
S
L
-
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
---
P
V
-
K
------
A
L
D
F
R
T
-----
P
A
K
--
A
K
L
I
N
I
C
-
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
---
M
A
V
T
R
P
R
D
--
G
A
V
--
V
---
C
M
L
Q
-
F
P
S
---
P
S
W
Y
-
W
D
-
T
-
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
--------------------------------------
R
S
V
R
L
L
S
G
-
S
--------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
K
D
R
S
L
R
R
-------------
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L---------
V
D
I
----------
D
--
R
----
R
D
---
P
L
V
V
A
A
L
H
-
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
------------------------------------------------------------
7
PsiBlast_PDB
84.55
27%
-157
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[108-406]
---------------------------------------------------------
Q
K
Y
L
G
A
R
S
A
S
S
L
-
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
---
P
V
-
K
------
A
L
D
F
R
T
-----
P
A
K
--
A
K
L
I
N
I
C
-
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
---
M
A
V
T
R
P
R
D
--
G
A
V
--
V
---
C
M
L
Q
-
F
P
S
---
P
S
W
Y
-
W
D
-
T
-
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
-----------------------------------------------
G
-
S
--------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
K
D
R
S
L
R
R
-------------
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L---------
V
D
I
----------
D
--
R
----
R
D
---
P
L
V
V
A
A
L
H
-
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
------------------------------------------------------------
32
HHSearch
84.39
23%
-139
- C4 -
3EML
13
ENLYS_BPT4
A:
[20-472]
----------------------------------------------------------------------
G
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
CLF
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
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
CS
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
Q
--------------------------------------------------------
34
HHSearch
83.62
24%
-151
* C4 *
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
GTW------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
G
V
P
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
C-
H
----
V
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
-------------------------------------------------------------
30
HHSearch
83.62
35%
-145
- C4 -
2KS9
1
NK1R_HUMAN
A:
[32-327]
-----------------------------------------------------------------------
I
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
G
D
S
S
--------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
Y
H
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
YLKK
F
I
---
Q
Q
V
Y
L
A
I
M
-
W
---
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
C
P
F
I
S
A
G
D
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
I
S
T
V
V
G
A
-------------------
29
HHSearch
83.60
22%
-148
- C4 -
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
YR---
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
TGTW-------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
L
H
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
--
C
----
C
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
-------------------------------------------------------------
20
PsiBlast_PDB
83.47
26%
-160
- C4 -
2Y02
13
ADRB1_MELGA
A:
[3-300]
--------------------------------------------------------------
A
E
L
L
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
---------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
LVP
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
--------------------------------------------------------------
6
PsiBlast_PDB
83.02
27%
-160
- C4 -
4N6H
23
C562_ECOLX (first)
A:
[108-412]
----------------------------------------------------
Q
K
Y
L
G
S
P
--
G
A
R
S
A
S
S
L
-
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
---
P
V
-
K
------
A
LDF
R
T
-----
P
A
K
--
A
K
L
I
N
I
C
-
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
---
M
A
V
T
R
P
R
D
--
G
A
V
--
V
---
C
M
L
Q
-
F
P
S
---
P
S
W
Y
-
W
D
-
T
-
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
--------------------------------------
R
S
V
R
L
L
S
G
-
S
--------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
K
D
R
S
L
R
R
-------------
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L---------
V
D
I
----------
D
--
R
----
R
D
---
P
L
V
V
A
A
L
H
-
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
R
K
P
C
G
-------------------------------------------------------
18
PsiBlast_PDB
81.99
26%
-162
- C4 -
2Y00
13
ADRB1_MELGA
A:
[3-300]
--------------------------------------------------------------
A
E
L
L
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
---------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
LVP
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
--------------------------------------------------------------
19
PsiBlast_PDB
81.67
26%
-157
- C4 -
2Y01
12
ADRB1_MELGA
A:
[3-300]
--------------------------------------------------------------
A
E
L
L
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
---------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
LVP
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
--------------------------------------------------------------
23
HHSearch
81.15
22%
-140
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-498]
-----------------------------------------------------------
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
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
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
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
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
TGTW
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
A
Y
G
S
K
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
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
----------------------------------------------------
14
PsiBlast_PDB
81.09
25%
-164
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[39-358]
-------------------------------------------------------------------------------
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
T
-
V
P
F
-
W
A
H
Y
A
-
A
A
Q
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
-
K
------
A
---
R
------
T
V
T
--
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
-
L
P
N
I
I
----
F
T
R
S
Q
K
E
--
G
L
-
H
Y
T
---
C
S
S
H
-
F
P
Y
---
S
Q
Y
Q
-
F
W
-
K
N
F
Q
T
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDD
W
V
C
P
L
C
G
-
V
G
--------
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
Q
F
E
E
V
E
E
E
K
K
R
H
-------
R
D
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
L
N
T
FQEFFGLNN
C
S
S
S
----------
N
--
R
----
L
D
---
Q
A
M
Q
V
T
-
E
-
T
---
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
--------------------------------------------------------------
46
Fugue
79.75
20%
-122
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
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
----
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
------------------------------------------
10
PsiBlast_PDB
79.56
26%
-147
- C4 -
2YCW
7
ADRB1_MELGA
A:
[3-299]
--------------------------------------------------------------
A
E
L
L
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
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
LVP
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
-------------------------------------------------------------
13
PsiBlast_PDB
79.35
26%
-152
- 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
--
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
LVP
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
-------------------------------------------------------------
5
PsiBlast_PDB
79.32
28%
-151
- C4 -
5C1M
7
?
A:
[1-293]
--------------------------------------------------------
G
S
H
S
L
-
P
Q
T
G
S
P
S
M
V
T
A
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
T
-
L
P
F
Q
S
V
N
Y
L
-
M
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
---
P
V
-
K
A
L
D
F
RT
P
---
R
-----------
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
-
L
P
V
M
F
---
M
A
T
T
K
Y
R
Q
--
G
S
I
D
-----
C
T
L
T
-
F
S
H
---
P
T
W
Y
-
W
E
-
N
-
L
L
K
I
C
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
--------------------------------------
K
S
V
R
M
L
S
G
S
K
--------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------------------------------------------------------------------------------------------------------------------------------------------------
D
-----
R
N
L
R
---------
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
Y
V
I
I
K
A
----------
L
I
T
----------
I
--
P
----
E
T
---
T
F
Q
T
V
S
W
H
-
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
-------------------------------------------------------------------
9
PsiBlast_PDB
79.17
26%
-156
- 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
LVP
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
--------------------------------------------------------------
25
HHSearch
79.11
19%
-138
- C4 -
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
KR---
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
TGTW
D
A
Y
P
P
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
----
I
P
---
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
--------------------------------------------------------------
24
HHSearch
78.93
22%
-146
- C4 -
2Z73
5
OPSD_TODPA
A:
[27-335]
---------------------------------------------------------------
D
Q
V
P
D
A
-
V
Y
Y
S
L
G
I
F
-
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
---
P
M
-
A
------
A
---
S
K
K
M
---
S
H
R
--
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
-
I
G
P
I
F
G
W
G
A
Y
T
L
------
E
G
V
L
C
N
---
C
S
F
D
-
Y
I
S
---
R
D
S
T
--
T
-
R
-
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
--------------------------------------
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
-------------------------------------------------------------------------------------------------------------------------------------------------------
R
-----------------------------------------------------------------------------------------------------------------------------------------------------
K
A
Q
A
G
A
N
A
E
M
---------
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
----------
F
G
P
----------
L
E-
W
----
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
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------------------------------