@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 : GPR85_HUMAN: (2016-01-10 )
MANYSHAADNILQNLSPLTAFLKLTSLGFIIGVSVVGNLLISILLVKDKTLHRAPYYFLLDLCCSDILRSAICFPFVFNSVKNGSTWTYGTLTCKVIAFLGVLSCFHTAFMLFCISVTRYLAIAHHRFYTKRLTFWTCLAVICMVWTLSVAMAFPPVLDVGTYSFIREEDQCTFQHRSFRANDSLGFMLLLALILLATQLVYLKLIFFVHDRRKMKPVQFVAAVSQNWTFHGPGASGQAAANWLAGFGRGPTPPTLLGIRQNANTTGRRRLLVLDEFKMEKRISRMFYIMTFLFLTLWGPYLVACYWRVFARGPVVPGGFLTAAVWMSFAQAGINPFVCIFSNRELRRCFSTTLLYCRKSRLPREPYCVI
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----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------MANY
S
H
A
A
D
N
I
L
Q
N
L
-----------------
S
P
L
T
A
F
L
K
L
TS-
L
G
F
I
I
G
V
S
V
V
G
N
L
L
I
S
I
L
L
VKDKTLHR
A
P
Y
Y
F
L
L
D
L
C
C
S
D
I
L
R
S
A
I
C
-
F
P
F
V
F
N
SVKNGS
T
W
T
Y
G
T
L
T
C
K
V
I
A
F
L
G
V
L
S
C
F
H
T
A
F
M
L
F
C
I
S
V
T
R
Y
L
A
I
A
H
H
R
F
Y
T
K
R
---
L
T
F
W
T
C
L
A
V
I
C
M
V
W
T
L
S
V
A
MAFP-PVL-------DVG
T
Y
S
----------
F
--
I
R-----EEDQ-----------
C
T
F
-QHRSFR------ANDS
L
G
F
M
L
L
L
A
L
I
L
L
A
T
Q
L
V
Y
---------------
L
K
L
I
F
F
-----------------------------------------------------------VHDRRKMK
P
V
Q
-------
F
V
A
AV------S----------------------Q---------N------------
W
-
T
---------
F
-----H-----------------------------G---------P-------------G--A------S-------
G
-----------
Q
A
A
-----------------------------
A
--
N
---
W
------------------------------------
L
----
A
-----------------------------------G--F-------------G--------------------------------RG---------------PT-----------P-----P
T
-
L
-------
L
----------
G
I
R-------QN-------A-----NTTG--------
R
----------
R
R
-------------
L
L
V
L
D
E
F
K
------------
M
-------------------------------------------------------
E
K
---------------------------
R
I
S
R
M
F
Y
I
M
T
F
L
F
L
T
LW
G
P
Y
L
V
A
C
Y
W
R
V
FAR--GP---VVP
G
---------
G
F
L
T
A
A
V
W
M
S
F
A
Q
AGI
N
P
F
V
C
I
FS
N
R
E
L
R
R
C
F
S
T
T
L
L
Y
C
R
K
SRLPREPYCVI------------
2
PsiBlast_PDB
91.81
21%
-168
- C4 -
4IB4
10
5HT2B_HUMAN (first)
A:
[38-407]
--------------------------------------------------------------
M
V
I
I
P
T
I
G
G
N
T
L
V
I
L
A
V
S
L
E
K
K
L
Q
Y
A
T
N
Y
F
L
M
S
L
A
V
A
D
L
L
V
G
L
F
V
-
M
P
I
A
L
L
T
I
M
F
E
A
M
W
P
L
P
L
V
L
C
P
A
W
L
F
L
D
V
L
F
S
T
A
S
I
W
H
L
C
A
I
S
V
D
R
Y
I
A
I
K
K
P
I
Q
A
N
Q
Y
---
N
S
R
A
T
A
F
I
K
I
T
V
V
W
L
I
S
I
G
I
A
I
P
V
P
I
K
-------
G
I
E
T
---------------
N
P
-----
N
N
I
T
-----------
C
V
L
-
T
K
E
R
F
G
-----------
D
F
M
L
F
G
S
L
A
A
F
F
T
P
L
A
I
---------------
M
I
V
T
Y
F
L
T
---------------------------------------------------------
I
H
A
L
Q
K
K
------------
A
A
D
L
------
E
----------------------
D
---------
N
------------
W
-
E
---------
T
-----
L
-----------------------------
N
---------
D
-------------
N
--
L
------
K
-------
V
-----------
I
E
K
-----------------------------
A
--
D
---
N
------------------------------------
A
----
A
-----------------------------------
Q
--
V
K
D
A
L
T
K
M
R
A
A
A
LD
A
--------------------------------
Q
K
------------------------------------------------------------------------------------
K
--------
D
----------
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
------------
V
-------------------------------------------------------
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
Q
T
I
S
N
E
Q
R
A
S
K
V
L
G
I
V
F
F
L
F
L
L
M
W
C
P
F
F
I
T
N
I
T
L
V
L
C
D
SC
N
Q
---
T
T
L
Q
---------
M
L
L
E
I
F
V
W
I
G
Y
V
S
S
G
V
N
P
L
V
Y
T
L
F
N
K
T
F
R
D
A
F
G
R
Y
I
T
C
N
Y
R
-----------------------
46
Fugue
90.80
19%
-137
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPFSNK
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
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-------
29
HHSearch
90.28
20%
-150
- 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
-----
G
----------------------
L
RL
K
I
Y
K
D
TE
G
------------
Y
-
Y
---------
T
-----
I
-----------------------------
G
---------
I
-------------
G
--
H
LLTKSP
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
-----
K
R
W
D
-------
E
A
A
V
-------
N
L
A
-------
K
S
R
W
Y
N
Q
T
P
N
-----
R
A
K
R
V
I
T
T
F
R
--
T
----------
G
T
-------------
W
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
--------------------------
26
HHSearch
85.79
17%
-147
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-------------------------------------------------------
L
V
V
V
-
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
M
S
-
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
-
I
L
--------
G
W
N
H
----------------
R
-----
R
E
D
K
-----------
C
E
T
-
D
F
Y
D
V
T
------
W
F
K
V
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
---------------
A
K
I
Y
K
A
-----------------------------------------------------------
V
R
Q
H
C
N
I
F
E
M
L
-------
R
I
D
E
G
------
L
----------------------
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
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
TNGVIT
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
T
G
T
-------------
W
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
--------------------------
43
Fugue
84.90
18%
-148
- 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
HWYRAT
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
EGYYTIGIGHLLTKSPS
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
M
G
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
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
--------------------------
1
PsiBlast_PDB
83.51
20%
-171
- C4 -
4BVN
11
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
V
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
DPGC
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
-----
R
K
T
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
K
---------
W
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
-
L
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
---------------------------
25
HHSearch
83.38
18%
-141
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
----------------------------------------------------
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
VR
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
LRL
K
I
Y
K
----------------------
D
TE-------
G
Y
Y
T
I
GIGHLLTK
S
-
P
---------
S
L
N
A
A
K
S
-----------------------------
E
L
D
K
A
I
GRNT
N
-------------
G
VI
T
------
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
M
----
G
-----------------------------------
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
----------
G
T
-------------
W
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
---------------------------
7
PsiBlast_PDB
83.24
20%
-177
- C4 -
2Y04
13
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
---------------------------
8
PsiBlast_PDB
83.22
20%
-176
- C4 -
4AMJ
12
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
---------------------------
6
PsiBlast_PDB
82.99
20%
-177
- C4 -
2Y03
9
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------
4
PsiBlast_PDB
82.78
20%
-176
- C4 -
2Y01
12
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
PGC
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
---------------------------
9
PsiBlast_PDB
82.56
20%
-177
- C4 -
3ZPQ
11
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
---------------------------
3
PsiBlast_PDB
82.35
20%
-176
- C4 -
2Y00
13
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
---------------------------
5
PsiBlast_PDB
82.32
20%
-178
- C4 -
2Y02
13
ADRB1_MELGA
A:
[18-300]
------------------------------------------------------------
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
DPGC
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
---------------------------
27
HHSearch
81.76
19%
-148
- 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
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
TEGYYTIGIGHLLTK
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
M
G
-------------
E
T
G
V
-----------------------------
A
G
---------------
F
T
-----------
N
S
L
R
M
L
Q
Q
-
K
R
W
D
E
A
A
V
N
----------
L
A
K
S
R
W
Y
N
Q
T
P
N
-------
R
A
K
R
V
I
T
T
F
R
--------
T
----------
G
T
-------------
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
--------------------------
10
PsiBlast_PDB
81.76
20%
-178
- C4 -
3ZPR
11
ADRB1_MELGA
A:
[18-299]
------------------------------------------------------------
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
DPGC
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------------
36
HHSearch
81.64
22%
-150
- C4 -
2Z73
5
OPSD_TODPA
A:
[30-332]
------------------------------------------------
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
R
L
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
------------------------
K
--------------------
E
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
------------
47
Fugue
80.68
17%
-127
- 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
HSGSN
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
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
-------------
K
--------------------------------
R
W
---------------
D
E
-----------
A
-----
A
V
-
N
-------
L
----------
A
K
S
-------
R
W
-------
Y
-----
N
Q
T
P
--------
N
----------
R
A
-------------
K
R
V
I
T
T
F
R
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
E
---
I
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
-----------------
45
Fugue
80.63
20%
-121
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
KTGVVRSPFEAPQYYLA
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
--
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
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA
34
HHSearch
80.44
19%
-142
- C4 -
2KS9
1
NK1R_HUMAN
A:
[33-328]
-----------------------------------------------------
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
NKIY
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
YLK
K
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
------------