@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 : O14K1_HUMAN: (2016-01-11 )
MTNQTQMMEFLLVRFTENWVLLRLHALLFSLIYLTAVLMNLVIILLMILDHRLHMAMYFFLRHLSFLDLCLISATVPKSILNSVASTDSISFLGCVLQLFLVVLLAGSEIGILTAMSYDRYAAICCPLHCEAVMSRGLCVQLMALSWLNRGALGLLYTAGTFSLNFYGSDELHQFFCDVPALLKLTCSKEHAIISVSVAIGVCYAFSCLVCIVVSYVYIFSAVLRISQRQRQSKAFSNCVPHLIVVTVFLVTGAVAYLKPGSDAPSILDLLVSVFYSVAPPTLNPVIYCLKNKDIKSALSKVLWNVRSSGVMKR
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..----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MT
N
Q
T
Q
M
M
E
F
L
L
V
R
FTE
N
W
V
---------------
L
----------------
L
R
L
H
A
L
L
F
S
L
I
Y
L
T
A
V
L
M
N
L
V
I
I
L
L
M
I
L
D
H
R
L
H
M
A
M
Y
F
F
L
R
H
L
S
F
L
D
L
C
L
I
SAT-V
P
K
S
I
L
N
S
VASTD
S
I
S
F
L
G
C
V
L
Q
L
F
L
V
V
L
LAGSE
I
G
I
L
T
AMSYD
R
Y
A
A
I
CCP
L
H
C
E
A
V
M
SR
G
L
C
V
Q
L
M
A
L
S
W
L
NRGA
L
G
L
L
Y
T
A
G
T
F
S
L
N
FYG
S
D
E
L
H
Q
F
F
C-D
V
P
A
L
L
K
L
TC-----S-------KE
H
A
I
I
S
V
S
V
A
I
G
V
C
Y
A
F
S
C
L
V
C
I
V
V
S
Y
V
Y
--
I
F
S
A
V
L
R
I
S
Q
R
-----------
Q
--------------------
R
Q
S
K
A
F
S
NC
V
----
P
H
L
I
V
V
T
V
----
F
------
L
V
T
G
--
A
-------------
V
A
Y
LKPGSD---
A
---
P
-------
S
I
L
D
-----------
L
L
V
S
V
F
Y
--SVAPP---------------TL-N
P
V
I
Y
C
LKNK
D
I
K
S
A
L
S
K
V
L
W
----------------
N
V
R
SSGVMKR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
89.48
22%
-163
- C3 -
3ZPR
11
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
----------------------------------------------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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
88.98
22%
-169
- C3 -
2Y03
9
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
-----------------------------------------
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
NS
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
88.67
21%
-159
- C3 -
4GBR
1
ADRB2_HUMAN
A:
[9-286]
--------------------------------------------------------
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
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
Q
K
IDKFC------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
88.24
22%
-165
- C3 -
2Y00
13
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
87.74
22%
-163
- C3 -
3ZPQ
11
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
87.38
20%
-163
- C3 -
4LDL
3
ADRB2_HUMAN
A:
[186-463]
--------------------------------------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
87.35
22%
-163
- C3 -
4AMJ
12
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
87.24
22%
-164
- C3 -
2Y02
13
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
87.22
22%
-169
- C3 -
2Y04
13
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
87.18
22%
-166
- C3 -
2Y01
12
ADRB1_MELGA
A:
[15-299]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.46
20%
-159
- C3 -
4LDE
3
A:
[186-463]
--------------------------------------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
86.08
20%
-159
- C3 -
4LDO
3
A:
[186-463]
--------------------------------------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
85.70
20%
-161
- C3 -
4QKX
2
ADRB2_HUMAN
A:
[186-463]
--------------------------------------------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
81.09
16%
-153
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-333]
-----------------------------------
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
RLNAKE
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
LEW
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
80.78
16%
-143
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-325]
------------------------------------------------------
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
--
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
S
T
T
E
T
-----
M
P
S
R
V
V
C
-
M
I
E
W
P
E
H
P
---------------
N
K
I
Y
E
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
--
V
G
I
T
L
W
A
S
E
I
P
GDSSDRYH
E
Q
V
S
--------------------
A
K
R
K
V
V
K
M
M
I
----
V
V
V
C
T
F
A
I
----
C
------
W
L
P
F
--
H
-------------
I
F
F
L
L
P
Y
I
N
---
P
---
D
LYLKKF-
I
Q
Q
V
-----------
Y
L
A
I
M
W
L
--
A
M
S
S
T
---------------
M
Y
-
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
----------------
C
C
P
F
I
S
A
G
D
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
79.39
17%
-140
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
-----------------
D
E
V
---------------
W
----------------
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
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
T
E
----
G
------
Y
Y
T
I
--
G
-------------
I
G
H
L
L
T
K
S
P
---
S
---
L
-------
N
A
A
K
-----------
S
E
L
D
K
A
I
GR
N
T
N
G
V
---------------
I
T
-
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
----------------
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL---------------------
43
HHSearch
77.76
16%
-133
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-327]
-----------------------------------------------------
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
QESA
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
76.93
16%
-131
- C3 -
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
RSPFEAPQYYLAE
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
DYYTPH
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
QGSDF
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
KTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
76.24
16%
-124
- C3 -
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
RSPFEAPQYYLAE
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
DYY
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
QGSDFGPIF
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
Fugue
67.55
13%
-136
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
P
C
F
R
E
E
N
A
N
F
-------------------------
N
----------------
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
T
---
L
P
F
W
A
V
D
A
V
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
A
N
V
S
E
A
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
G
--
I
-------------
G
H
L
L
T
K
S
P
S
---
L
---
N
-------
A
A
K
S
-----------
E
L
D
K
A
I
G
--
R
N
T
N
G
---------------
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
----------------
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
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
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ