@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 : GPR78_HUMAN: (2016-01-10 )
MGPGEALLAGLLVMVLAVALLSNALVLLCCAYSAELRTRASGVLLVNLSLGHLLLAALDMPFTLLGVMRGRTPSAPGACQVIGFLDTFLASNAALSVAALSADQWLAVGFPLRYAGRLRPRYAGLLLGCAWGQSLAFSGAALGCSWLGYSSAFASCSLRLPPEPERPRFAAFTATLHAVGFVLPLAVLCLTSLQVHRVARRHCQRMDTVTMKALALLADLHPSVRQRCLIQQKRRRHRATRKIGIAIATFLICFAPYVMTRLAELVPFVTVNAQWGILSKCLTYSKAVADPFTYSLLRRPFRQVLAGMVHRLLKRTPRPASTHDSSLDVAGMVHQLLKRTPRPASTHNGSVDTENDSCLQQTH
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------------------------MG
P
G
E
A
L
--
L
A
G
L
L
V
M
V
L
A
V
A
L
L
S
N
A
L
V
L
L
CCAY
S
A
E
LRTRAS
G
V
L
L
V
NL
S
L
G
H
L
L
L
A
A
LD-
M
P
F
T
L
L
G
V
MR-GRTPSAPG
A
C
Q
V
I
G
F
L
D
T
F
L
ASNA
A
L
S
V
A
ALSAD
Q
W
L
A
VGFP
L
R
YAGR---LR-P
R
Y
A
G
L
L
L
GC-------------AW---GQSLAFSGAALGCSW---LGY----S-
S
--
A
F
-
A
-----
S
C
S
LRLPPE--PERPR
F
A
A
F
T
A
T
L
H
A
V
G
F
V
L
P
L
A
V
L
C
L
T
S
L
Q
-
V
H
R
V
A
R
R
H
C
Q
R
M
D
T
V
T
M
K
A
L
---------------------------
A
---------------------------
L
------------------------------
L
------------------------------------
A
------------------------------------------------------------------------------D---------------------------------------------------------------L------------------
H
-----------------------------------------------------------------------------
P
-----------------------------------------------------------------------------
S
-----------
V
--------------
R
Q
------------
R
C
L
I
Q
Q
K
R
----
R
R
H
R
A
T
R
K
I
G
I
A
I
A
T
F
L
I
C
F
A
P
------
Y
-
V
-
M
T
R
L
A
-----
E
LV----
P
--
F
V
--
T
VNA
Q
W
G
I
-
L
S
K
C
L
T
Y
S
K
AVAD
P
F
T
Y
S
L
---
L
R
R
P
F
R
Q
V
L
A
G
M
V
H
R
L
L
KRTPRPASTHDSSL
D
V
A
G
M
V
H
Q
L
L
KRTPRPASTHNGSVDTEN
D
S
C
LQQTH
44
Fugue
91.56
20%
-110
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPFSNKTGVVRSPFEAPQYY
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
GMQC
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
---------------------------------
36
HHSearch
89.53
20%
-121
- 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
-----------------
T
---------------------------
E
------------------------------
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
-
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
----------------------------------------------------
29
HHSearch
89.04
19%
-115
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
-----------------------------------
M
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
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
TGT
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
----------------------------------------------------
47
Fugue
88.01
20%
-88
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFSNKTGVVRSPFEAPQYY
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
--------------
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
QGS
D
--
F
-----
G
P
I
F
M
T
-
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
---
M
N
K
Q
F
R
N
C
M
V
T
T
L
--------------------------
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-
28
HHSearch
85.96
15%
-117
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
-----------------------------------
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
TEGYYTIGIGHLLTKSPS
L
N
A
------------------------------
A
K
S
E
L
D
K
A
I
GR--------------------------
N
TNGVIT
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
--------------
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
----------------------------------------------------
17
PsiBlast_PDB
84.71
21%
-128
- C4 -
4MQS
1
?
A:
[44-326]
-----------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PPPS
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
-----------------------------------------------------
18
PsiBlast_PDB
84.13
21%
-129
- C4 -
4MQT
2
ACM2_HUMAN
A:
[44-326]
-----------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PS--
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
C
----------------------------------------------------
33
HHSearch
83.92
17%
-114
- C4 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-----------------------------------
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
LF
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
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
T
G
--------------
T
W
------------
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
-----------------------------------------------
25
HHSearch
83.81
18%
-107
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
------------------------------------
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
GVR
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
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
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
-----------------------------------------------------
27
HHSearch
83.32
15%
-113
* C4 *
2Z73
5
OPSD_TODPA
A:
[33-338]
---------------------------------
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
D
K
D
A
E
T
E
I
P
A
G
E
--------------------------
15
PsiBlast_PDB
82.49
22%
-97
- C4 -
4BEZ
3
OPSD_BOVIN
A:
[41-318]
-----------------------------------
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
D
-
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
C
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
-------------------------------------------------
12
PsiBlast_PDB
82.24
20%
-130
- C4 -
3ZPQ
11
ADRB1_MELGA
A:
[11-300]
----------------------------------
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
NR
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
82.16
20%
-133
- C4 -
2Y02
13
ADRB1_MELGA
A:
[11-300]
----------------------------------
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
NR
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
---------------------------------------------------------
11
PsiBlast_PDB
82.10
20%
-130
- C4 -
4AMJ
12
ADRB1_MELGA
A:
[11-300]
----------------------------------
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
NR
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
---------------------------------------------------------
19
PsiBlast_PDB
81.94
22%
-111
- C4 -
3PWH
1
?
A:
[7-305]
---------------------------------
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
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
PML
G
W
NNC
G
Q
P
--------
G
C
G
E
---
G
Q
V
----
A
-
C
--
L
F
-
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
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
F
C
----
P
--
D
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
----------------------------------------------------
6
PsiBlast_PDB
81.94
20%
-133
- C4 -
2Y00
13
ADRB1_MELGA
A:
[11-300]
----------------------------------
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
NR
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
---------------------------------------------------------
1
PsiBlast_PDB
81.84
21%
-127
- C4 -
2VT4
8
ADRB1_MELGA
A:
[11-298]
----------------------------------
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
NR
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
---------------------------------------------------------
16
PsiBlast_PDB
81.75
22%
-98
- C4 -
4BEY
4
OPSD_BOVIN
A:
[41-318]
-----------------------------------
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
D
-
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
C
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
-------------------------------------------------
10
PsiBlast_PDB
81.75
20%
-133
- C4 -
2Y04
13
ADRB1_MELGA
A:
[11-300]
----------------------------------
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
NR
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
81.72
21%
-125
- C4 -
2YCY
6
ADRB1_MELGA
A:
[11-298]
----------------------------------
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
NR
D
L
V
----
P
D
-
W
L
--
F
V
A
F
N
W
-------
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
--------------------------------------------------------