@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 : GALR3_HUMAN: (2016-01-09 )
MADAQNISLDSPGSVGAVAVPVVFALIFLLGTVGNGLVLAVLLQPGPSAWQEPGSTTDLFILNLAVADLCFILCCVPFQATIYTLDAWLFGALVCKAVHLLIYLTMYASSFTLAAVSVDRYLAVRHPLRSRALRTPRNARAAVGLVWLLAALFSAPYLSYYGTVRYGALELCVPAWEDARRRALDVATFAAGYLLPVAVVSLAYGRTLRFLWAAVGPAGAAAAEARRRATGRAGRAMLAVAALYALCWGPHHALILCFWYGRFAFSPATYACRLASHCLAYANSCLNPLVYALASRHFRARFRRLWPCGRRRRHRARRALRRVRPASSGPPGCPGDARPSGRLLAGGGQGPEPREGPVHGGEAARGPE
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)
MADAQNISLDSPGSV
G
A
V
A
V
P
V
V
F
A
L
I
F
L
L
G
TV-GN
G
L
V
L
A
V
L
LQPGP
S
A
WQEPGST
T
D
L
F
I
L
N
L
A
V
A
D
L
C
F
I
L
C
CVPFQ
A
T
I
Y
T
-
L
D
A
W
L
F
G
A
L
V
C
K
A
V
H
L
L
I
Y
L
T
M
YASS
F
T
L
A
A
V
S
V
D
R
Y
L
A
V
RH
P
L
R
S
R
AL---RTPRN
A
R
A
A
V
G
L
V
W
L
L
A
A
L
FS-A
P
Y
L
S
Y-YG
T
V
-RY---
G
A
----
L
------
E
L
CV----P
A
W
E
-
D
------
A
R
R
R
A
L
D
V
---
A
T
F
A
A
G
Y
L
L
P
V
A
V
V
S
L
AYG
R
T
L
R
F
L
W
AA-------------------------------------VGPA
G
A
A
---------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------
A
E
A
R
R
R
AT----GRA
G
R
A
M
L
A
V
A
A
L
Y
A
L
CWGPHH
A
L
I
L
C
F
WY
G
R
F--------A-------FS
P
A
T
Y
A
C
R
L
A
S
H
C
L
A
--
Y
A
N
S
C
L
N
P
L
V
Y
A
L
A
S
R
H
F
R
A
R
F
R
R
L--WPC
G
R
R
R
R
H
R
A
R
R
A
L
R
R
VRPASSGPPGCPGDARPSG
R
L
L
AGGGQGPEPREGPVHGGEAARGPE
49
Fugue
92.29
26%
-129
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
---
S
F
K
C
A
L
T
K
T
G
F
-
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
-
G
N
S
V
A
I
W
M
F
V
F
H
-----
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
T
L
P
A
L
I
F
Y
Y
F
N
-
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
-
S
P
I
L
F
Y
-
S
G
T
G
V
R
K
---
N
K
----
T
------
I
T
C
Y
----
D
T
T
S
-
D
------
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPL
C
G
V
G
K
D
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
V
E
E
P
L
R
----
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
L
R
A
R
L
DFQTPAM
C
A
-------
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
--
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
---------------------------------------------------------------------
32
HHSearch
89.00
25%
-146
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
-
G
N
G
L
V
C
M
A
V
L
K
E
R
-----
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
-
C
P
L
L
F
G
-
F
N
T
T
------
G
D
----
P
------
T
V
C
S
----
I
S
N
P
------------
D
F
V
I
---
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
-------------------------------------
R
R
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTW
D
-------------------------------------------------------------------------------------------------------------------------------------------------------
A
Y
G
V
P
L
R
E
----
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
T
H
C
Q
T
--------
C
---------
H
V
S
P
E
L
Y
S
A
T
T
W
L
G
--
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
--
L
S
C
------------------------------------------------------------
15
PsiBlast_PDB
88.35
27%
-146
- C1 -
3ZPQ
11
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
87.98
31%
-138
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[111-414]
--------
L
G
S
P
G
A
R
S
A
S
S
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
A
L
A
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
A
VVC
M
L
------
Q
F
P
S
----
P
S
W
Y
W
D
------
T
V
T
K
---
I
---
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
-------------------------------------
R
L
L
S
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
E
K
D
R
S
L
----
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
--------
D
R------
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
--
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
-----------------------------------------------------------
1
PsiBlast_PDB
87.92
29%
-157
- C1 -
5C1M
7
?
A:
[11-296]
----------
S
P
S
M
V
T
A
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
-
G
N
F
L
V
M
Y
V
I
V
R
-----
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
A
L
A
T
S
T
L
P
F
Q
S
V
N
Y
L
-
M
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
-
L
P
V
M
-
F
-
M
A
T
T
-
K
Y
R
Q-
G
S
----
I
------
D
C
T
L
T
F
S
H
P
T
W
Y
---------
W
E
N
L
L
K
I
---
C
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
K
S
V
-------------------------------------
R
M
L
S
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
E
K
D
R
N
L
----
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
Y
V
I
I
--
K
A
L
I
--------
T
-------
I
P
E
T
T
F
Q
T
V
S
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
--------------------------------------------------------------------
9
PsiBlast_PDB
87.47
27%
-147
- C1 -
2Y00
13
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------
28
HHSearch
87.44
23%
-142
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
-
L
N
L
L
V
L
Y
A
V
R
S
E
R
-----
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
M
P
M
N
I
L
Y
L
L
-
M
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
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
TGTWD-------------------------------------------------------------------------------------------------------------------------------------
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
87.36
27%
-144
- C1 -
3ZPR
11
ADRB1_MELGA
A:
[14-299]
-------------------
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
PGCCDF
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
--------------------------------------------------------------
10
PsiBlast_PDB
87.03
27%
-148
- C1 -
2Y01
12
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------
11
PsiBlast_PDB
86.96
27%
-148
- C1 -
2Y02
13
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------
14
PsiBlast_PDB
86.79
27%
-146
- C1 -
4AMJ
12
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------
30
HHSearch
86.63
25%
-141
- C1 -
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
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
TGTWD
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
------------------------------------------------------------
13
PsiBlast_PDB
86.55
27%
-145
- C1 -
2Y04
13
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------
20
PsiBlast_PDB
86.53
27%
-142
- C1 -
2YCZ
2
ADRB1_MELGA
A:
[14-299]
-------------------
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
PGCCDF
V
T
N
R
A
Y
A
I
---
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
-------------------------------------
I
R
K
I
D
R
A
---------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
K
R
V
M
L
M
R
E
--
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
N
R
D
--------
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
------------------------------------------------------------
27
HHSearch
85.92
23%
-136
- C1 -
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
VRT
V
E
----
D
------
G
E
C
Y
----
I
Q
F
F
-
S
--------
N
A
A
V
T
F
---
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
-------------------------------------
I
N
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW--
D
-------------------------------------------------------------------------------------------------------------------------------------------------------
A
Y
P
P
P
S
R
E
----
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
C
A
P
--------
C
----------
I
P
N
T
V
W
T
I
G
Y
W
L
C
--
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
--
L
M
-------------------------------------------------------------
5
PsiBlast_PDB
85.68
30%
-138
- C1 -
4RWD
7
C562_ECOLX (first)
A:
[122-406]
----------------
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
-
G
N
V
L
V
M
F
-----
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
A
L
A
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
A
V
V
C
M
L
------
Q
F
P
S
----
P
S
W
Y
W
D
------
T
V
T
K
---
I
---
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
-------------------------------------
R
L
L
S
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
E
K
D
R
S
L
----
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
--------
D
R------
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
--
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C----------------------------------------------------------------
29
HHSearch
84.99
25%
-136
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-497]
-----
P
C
F
R
E
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
-
G
N
G
L
V
I
L
V
M
G
Y
Q
K
-----
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
L
P
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
-
I
P
D
F
I
F
-
A
N
V
S
-
E
A
---
D
D
----
R
------
Y
I
C
D
----
R
F
Y
P
-
N
D
-----
L
W
V
V
V
F
Q
F
---
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
-------------------------------------
G
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWD
A
-------------------------------------------------------------------------------------------------------------------------------------------------------
Y
G
S
K
G
H
Q
K
----
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
--------
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
---------------------------------------------------
4
PsiBlast_PDB
84.95
30%
-142
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[122-406]
----------------
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
-
G
N
V
L
V
M
F
-----
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
-
A
L
A
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
A
V
V
C
M
L
------
Q
F
P
S
----
P
S
W
Y
W
D
------
T
V
T
K
---
I
---
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
----------------------------------------------
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
E
K
D
R
S
L
----
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
--------
D
R------
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
--
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C----------------------------------------------------------------
18
PsiBlast_PDB
84.72
27%
-141
- C1 -
2YCW
7
ADRB1_MELGA
A:
[14-299]
-------------------
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
GCCDF
V
T
N
R
A
Y
A
I
---
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
-------------------------------------
I
R
K
I
D
R
A
---------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
K
R
V
M
L
M
R
E
--
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
N
R
D
--------
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
------------------------------------------------------------
12
PsiBlast_PDB
84.55
27%
-146
- C1 -
2Y03
9
ADRB1_MELGA
A:
[14-300]
-------------------
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
PGCCDF
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
-------------------------------------------------------------