@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 : QRFPR_HUMAN: (2016-01-14 )
MQALNITPEQFSRLLRDHNLTREQFIALYRLRPLVYTPELPGRAKLALVLTGVLIFALALFGNALVFYVVTRSKAMRTVTNIFICSLALSDLLITFFCIPVTMLQNISDNWLGGAFICKMVPFVQSTAVVTEILTMTCIAVERHQGLVHPFKMKWQYTNRRAFTMLGVVWLVAVIVGSPMWHVQQLEIKYDFLYEKEHICCLEEWTSPVHQKIYTTFILVILFLLPLMVMLILYSKIGYELWIKKRVGDGSVLRTIHGKEMSKIARKKKRAVIMMVTVVALFAVCWAPFHVVHMMIEYSNFEKEYDDVTIKMIFAIVQIIGFSNSICNPIVYAFMNENFKKNVLSAVCYCIVNKTFSPAQRHGNSGITMMRKKAKFSLRENPVEETKGEAFSDGNIEVKLCEQTEEKKKLKRHLALFRSELAENSPLDSGH
Atome Classification :
(20 SA)
.........10........20........30........40........50...--..----...60........70........80........90........100.....-..110.......120.......130.......140.......150....---...160.......170.....--..180-.........190.--......200...---...--.210.........220--.......230.......240.......250..------------.---------------------------------------------------------------------------------------------------------------------------------.-------------------------------------------------------------------------------------------------------------------------------------------------.-----------------------------------------------------------------------------------.-----------.---------------260....----...270....----------...280.......290...-----..-..300.----......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MQALNI
T
P
E
Q
F
S
R
L
L
R
DHNL
T
R
E
Q
F
I
A
L
Y
RLR
P
L
V
YTPELPGR
A
K
L
A
L
V
L
T
G
V
L
--
I
F
----
A
L
A
L
FGN
A
L
V
F
Y
V
VTR
S
K
A
M
R
T
V
T
N
I
F
I
C
S
L
A
L
S
D
L
L
I
T
F
F
C
I
P
V
T
M
L
Q
NI-SDNWL
G
G
A
F
I
C
K
M
V
P
F
V
Q
S
T
A
V
V
T
E
I
L
T
M
T
C
I
A
V
ERHQGLVH
P
F
K
M
K
W
Q
---YTNR
R
A
F
T
M
L
G
V
V
W
L
V
A
V
I
VG--SP
M
---
W
H
V
Q
Q
L
E
I
K
Y
D
F
L
--YEK
E
H
I
C
C
L
E
E
W---T
S
P
--
V
H
--
Q
K
I
Y
T
T
F
I
L
V
I
L
--
F
L
L
P
L
M
V
M
L
I
L
Y
S
KIG
Y
E
L
W
I
K
KRVGDG
S
V
L
R
------------
T
---------------------------------------------------------------------------------------------------------------------------------
I
-------------------------------------------------------------------------------------------------------------------------------------------------
H
-----------------------------------------------------------------------------------
G
-----------
K
---------------
E
M
S
K
I
A
R
----
K
KK
R
A
V
I
M
M
V
----------
T
V
V
A
L
F
A
V
C
W
A
P
F
H
V
V
H
M
M
-----
I
E-YSNFE
K
----
E
YD
D
V
T
I
K
M
I
F
A
I
V
Q
I
IGFSN
S
I
C
N
P
I
V
Y
A
F
M
NE
N
F
K
K
N
V
L
S
A
V
C
Y
C
I
VNKTF
S
P
A
Q
RHGNSG
I
T
M
M
R
K
KAKFSLREN
P
V
E
ETKGEAFSDG
N
I
E
V
K
LC
E
Q
T
E
E
K
K
K
L
K
R
H
L
A
L
F
R
S
E
LAENSPLDSGH
34
HHSearch
90.45
23%
-139
* C2 *
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
EG
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
GT
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
89.67
23%
-142
- C2 -
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
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
TG---------------------------------------------------------------------
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
----------------------------------------------------------------------------------
16
PsiBlast_PDB
87.15
29%
-146
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[121-400]
---------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
----
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
--
V
P
I
----
M
V
M
A
V
T
R
P
R
D
-------
G
A
V
V
C
M
L
Q
F
---
P
S
P
--
S
W
--
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-----------------------------------------------------------------------------------
S
-----------
K
---------------
E
K
D
R
S
L
R
----
R
I
T
R
---
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
--
F
V
-----
I
V
-
W
T
L
V
D
I
----
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
------------------------------------------------------------------------------------
5
PsiBlast_PDB
85.62
28%
-148
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[121-401]
----------------------------------------
P
L
G
L
K
V
T
I
V
G
L
Y
L
A
--
V
C
----
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
-
L
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
--
V
P
V
---
A
I
M
G
S
A
Q
V
--------
E
D
E
E
I
E
C
L
V
E
I
---
P
T
P
--
Q
D
Y
W
G
P
V
F
A
I
C
I
F
L
F
S
--
F
I
V
P
V
L
V
I
S
V
C
Y
S
-----
L
M
I
R
R
L
R
G
----
V
R
------------
L
---------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------
S
-----------------------------------------------------------------------------------
G
-----------
S
---------------
R
E
K
D
--
R
----
N
L
R
R
I
T
R
L
V
L
----------
V
V
V
A
V
F
V
G
C
W
T
P
---
V
Q
V
F
-----
V
L
-
A
Q
G
L
G
V
----
Q
P
S
S
E
T
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
---------------------------------------------------------------------------------------
17
PsiBlast_PDB
85.50
29%
-139
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[121-400]
---------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
----
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
--
V
P
I
----
M
V
M
A
V
T
R
P
R
D
-------
G
A
V
V
C
M
L
Q
F
---
P
S
P
--
S
W
--
Y
W
D
T
V
T
K
I
C
V
F
L
FA
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
------------------------------------------------------------------------------------
46
Fugue
84.21
20%
-116
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
--------
P
W
Q
F
S
M
L
A
A
Y
M
F
L
--
L
I
----
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
--
A
P
P
LVG
W
S
--------
R
Y
I
--
P
E
G
M
Q
C
S
C
G
I
D
Y
YTP
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
----------------------------------
19
PsiBlast_PDB
83.85
24%
-159
- C2 -
2Y01
12
ADRB1_MELGA
A:
[12-293]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--
A
K
E
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
----------
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
-----------------------------------------------------------------------------------
48
Fugue
83.47
21%
-137
- C2 -
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
T
V
C
G
------------
Y
---------------------------------------------------------------------------------------------------------------------------------
I
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
N
PEDGDPDNGVNPGTDFKDIVCPLC----------------------------------------------------------
G
-----------
V
---------------
G
K
D
Q
F
E
E
V
EE
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
D
-
F
Q
T
P
A
M
----
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
-----------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.82
28%
-130
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[102-403]
--------------------
T
R
N
A
Y
I
Q
K
Y
-----
L
G
S
P
G
A
R
S
A
S
S
L
A
L
A
I
A
I
T
A
--
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
-
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
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
FA
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
-------------------------------------------------------------------------------
20
PsiBlast_PDB
82.45
24%
-159
- C2 -
2Y02
13
ADRB1_MELGA
A:
[12-293]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--
A
K
E
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
----------
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
-----------------------------------------------------------------------------------
24
HHSearch
81.90
20%
-127
- C2 -
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
V
-----
R
T
V
E
D
G
E
C
Y
I
Q
F
---
F
S
-------
N
A
A
V
T
F
G
T
A
I
A
A
--
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
F
E
M
L
R
I
D
------------
E
GLRL
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
TGT
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
-----------------------------------------------------------------------------------
8
PsiBlast_PDB
81.74
23%
-155
- C2 -
2VT4
8
ADRB1_MELGA
A:
[12-291]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------
K
-----------
E
---------------
Q
I
R
------------------
E
H
K
A
L
K
T
L
G
-
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
-----------------------------------------------------------------------------------
18
PsiBlast_PDB
81.65
24%
-161
- C2 -
2Y00
13
ADRB1_MELGA
A:
[12-293]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--
A
K
E
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
----------
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
81.61
23%
-153
- C2 -
2YCZ
2
ADRB1_MELGA
A:
[12-291]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------
K
-----------
E
---------------
Q
I
R
K
I
D
R
----
A
S
K
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
----------------------------------------------------------------------------------
23
HHSearch
80.37
20%
-122
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[40-498]
------------------------------------
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
TG
T
-----------------------------------------------------------------------------------
W
-----------
D
---------------
A
Y
G
S
K
G
H
----
Q
K
R
K
A
L
K
T
T
V
----------
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
-----
D
S
-
F
I
L
L
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
-------------------------------------------------------------------------
10
PsiBlast_PDB
80.32
23%
-149
- C2 -
2YCX
3
ADRB1_MELGA
A:
[12-291]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------
K
-----------
E
---------------
Q
I
R
K
I
D
R
----
A
S
K
R
K
R
V
M
L
M
R
E
H
KA
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
---------------------------------------------------------------------------------------
45
Fugue
80.22
17%
-91
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
-------
P
W
Q
F
S
M
L
A
A
Y
M
-
F
L
--
L
I
----
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
--
A
P
P
---
L
V
G
W
S
-----
R
Y
I
--
P
E
G
M
Q
C
S
C
G
I
D
Y
YTP
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
T
E
T
S
Q
V
A
P
A
----
9
PsiBlast_PDB
80.19
23%
-149
- C2 -
2YCW
7
ADRB1_MELGA
A:
[12-291]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------
K
-----------
E
---------------
Q
I
R
K
I
D
R
----
A
S
K
R
K
R
V
M
L
M
R
E
H
KA
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
----------------------------------------------------------------------------------
28
HHSearch
79.90
20%
-137
- C2 -
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
GR----------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------
12
PsiBlast_PDB
79.55
23%
-150
- C2 -
2YCY
6
ADRB1_MELGA
A:
[12-291]
-------------------------------------------
A
G
M
S
L
L
M
A
L
V
V
--
L
L
----
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
---
M
H
W
W
R
D
E
D
P
Q
A
L
K
--
C
Y
Q
D
P
G
C
C
--------
D
F
--
V
T
--
N
R
A
Y
A
I
A
S
S
I
I
S
--
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------
K
-----------
E
---------------
Q
I
R
--
D
R
----
A
S
K
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
-----
N
V
-
F
N
R
----------
D
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
----------------------------------------------------------------------------------