@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 : MC3R_HUMAN: (2016-01-11 )
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
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)
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSS
S
A
F
C
E
Q
VFI
K
P
E
V
F
L
S
L
G
I
V
S
L
L
-------
E
N
I
L
V
I
L
A
V
VRNGNLH
S
P
M
Y
F
F
L
C
S
L
A
V
A
D
M
L
V
S
V
-----
S
N
A
L
E
T
I
M
I
A
I
VHSDYL
T
F
E
D
Q
F
I
--
Q
--
H
M
D
N
I
F
D
S
M
I
C
I
S
L
V
A
S
-
I
C
N
L
L
A
I
A
V
D
R
Y
V
T
I
F
Y
A
L
R
Y
H
S
I
---
M
T
V
R
K
A
L
T
L
I
V
A
I
W
V
C
C
G
V
C
G
V
V
F
I
-----------------------
V
--------Y-----------------------S-E----------------------S----------------------
K
M
--------
V
I
V
C
L
I
T
-----------
M
F
F
A
----
M
M
L
L
M
G
T
L
Y
V
H
M
F
L
F
A
R
L
H
V
K
R
I
AALP-P------------------------------A----------------------------------------------------------------------------------------------------------------------------------------------------D-----------------GVAPQQHSC---------------------------------------------------------------------------------------------------------------------------------------------------MKG
A
V
T
I
T
I
L
L
G
V
F
I
F
C
W
A
P
F
F
L
-
H
L
V
L
I
I
T-----CPTN
P
Y
C
I
C
Y
TAHF
N
T
Y
L
V
L
I
M
C
N
S
V
I
D
P
L
I
Y
A
F
R
S
L
E
L
R
N
T
F
R
E
I
L
CGCNGMNLG
33
HHSearch
91.23
25%
-173
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[44-477]
-----------------------------------------
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
RATH
Q
E
A
I
N
C
Y
A
EETCCDFFTN
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
-------
42
HHSearch
90.81
29%
-187
- C4 -
3EML
13
ENLYS_BPT4
A:
[23-470]
---------------------------------------
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
CGQSQGCGEGQVACLFEDVVP
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
C
S
--
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
--
7
PsiBlast_PDB
90.45
29%
-190
- C4 -
3PWH
1
?
A:
[12-303]
-------------------------------------------
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
L
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
A
Q
S
S
-
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-----------------------
L
GWNNCGQP-------------------------------------------------
G
CG--------------------
E
G
--------
Q
V
A
C
L
F
E
DVVP
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
FCPD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
A
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
-------
8
PsiBlast_PDB
89.83
29%
-189
- C4 -
3REY
1
AA2AR_HUMAN
A:
[12-303]
-------------------------------------------
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
L
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
A
Q
S
S
-
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-----------------------
L
GWNNCGQP-------------------------------------------------
G
CG--------------------
E
G
--------
Q
V
A
C
L
F
E
D
V
V
P
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
FCPD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
A
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
-------
32
HHSearch
89.73
24%
-178
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[27-457]
-----------------------------------------
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
GVRTVEDGECYIQFFSN--
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
--------
9
PsiBlast_PDB
89.59
29%
-189
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[12-303]
-------------------------------------------
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
L
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
A
Q
S
S
-
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-----------------------
L
GWNNCGQP-------------------------------------------------
G
CG--------------------
E
G
--------
Q
V
A
C
L
F
E
D
V
V
P
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
FCPD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
A
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
-------
10
PsiBlast_PDB
89.58
29%
-192
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[12-303]
-------------------------------------------
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
L
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
A
Q
S
S
-
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-----------------------
L
GWNNCGQP-------------------------------------------------
G
CG--------------------
E
G
--------
Q
V
A
C
L
F
E
D
V
V
P
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
FCPD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
A
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
-------
11
PsiBlast_PDB
88.85
29%
-192
- C4 -
3UZC
1
AA2AR_HUMAN
A:
[12-303]
-------------------------------------------
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
L
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
A
Q
S
S
-
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-----------------------
L
GWNNCGQP-------------------------------------------------
G
CG--------------------
E
G
--------
Q
V
A
C
L
F
E
D
V
V
P
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
FCPD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
A
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
-------
34
HHSearch
87.41
23%
-174
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[12-443]
-----------------------------------------
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
RREDKCETDFYDV---------
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
-------
16
PsiBlast_PDB
87.40
26%
-196
- C4 -
4GBR
1
ADRB2_HUMAN
A:
[23-285]
--------------------------------------------------------------
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
HWYRATH
Q
E
A
I
N
C
Y
A
EET
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
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
-------
50
Fugue
87.13
24%
-189
- 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
FG
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
HWYRATH
Q
E
A
I
N
C
Y
A
EETCCDFF
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
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
-------
37
HHSearch
86.56
26%
-182
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[63-495]
-------------------------------------
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
CISALSSCSTVLPLY-------
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
GLRL
K
I
Y
K
D
TE
G
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
TGTW-
D
-----------------
A
Y
A
S
R
S
S
E
N
---------------------------------------------------------------------------------------------------------------------------------------------------
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
-
L
L
L
L
D
V
G
-----
C
K
V
K
T
--
C
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
-----
1
PsiBlast_PDB
85.71
30%
-199
- C4 -
2YDO
3
?
A:
[12-303]
-------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
------------------
C
L
F
I
A
C
F
V
L
V
L
T
A
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
WNNCGQP----------------
K
-
E
----------------------
G
----------------------
K
A
H
S
Q
GCGEG
Q
V
A
C
L
F
E
DVVP
M
N
Y
M
V
YF
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
41
HHSearch
85.30
24%
-173
- 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
TGDPTVCSISN
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
-------
5
PsiBlast_PDB
85.05
29%
-195
- C4 -
3VG9
8
?
A:
[12-303]
-------------------------------------------
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
WNNCGQ-------------------------------------------------------------------SQGCGEG-
Q
V
A
C
L
F
E
DVVPMNYMVYF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
F
C
PD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
---
6
PsiBlast_PDB
84.96
29%
-195
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[12-303]
-------------------------------------------
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
WNNCGQ-------------------------------------------------------------------SQGCGEG-
Q
V
A
C
L
F
E
DVVP
M
N
Y
M
V
YF
N
F
F
A
CV
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
------------------------------
G
----------------------------------------------------------------------------------------------------------------------------------------------------
E
-----------------
R
A
R
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
F
C
PD
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
----
14
PsiBlast_PDB
84.76
25%
-191
- C4 -
4LDL
3
ADRB2_HUMAN (first)
A:
[157-462]
--------------
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
A
A
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
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
HWYRATH
Q
E
A
I
N
C
Y
A
EETCC
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
-------
15
PsiBlast_PDB
84.43
25%
-191
- C4 -
4LDO
3
ENLYS_BPT4
A:
[157-462]
--------------
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
A
A
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
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
HWYRATH
Q
E
A
I
N
C
Y
A
EETCC
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
83.91
30%
-197
- C4 -
2YDV
6
?
A:
[12-303]
-------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
------------------
C
L
F
I
A
C
F
V
L
V
L
T
A
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
WNNCGQP----------------
K
-
E
----------------------
G
----------------------
K
A
H
S
Q
GCGEG
Q
V
A
C
L
F
E
DVVP
M
N
Y
M
V
YF
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
T
L
Q
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
--
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
-----
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
12
PsiBlast_PDB
83.90
25%
-194
- C4 -
4QKX
2
ADRB2_HUMAN
A:
[157-462]
--------------
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
A
A
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
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
HWYRATH
Q
E
A
I
N
C
Y
A
EETCC
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
-------