@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 : O51B5_HUMAN: (2016-01-12 )
MSSSGSSHPFLLTGFPGLEEAHHWISVFFLFMYISILFGNGTLLLLIKEDHNLHEPMYFFLAMLAATDLGLALTTMPTVLGVLWLDHREIGSAACFSQAYFIHSLSFLESGILLAMAYDRFIAICNPLRYTSVLTNTRVVKIGLGVLMRGFVSVVPPIRPLYFFLYCHSHVLSHAFCLHQDVIKLACADTTFNRLYPAVLVVFIFVLDYLIIFISYVLILKTVLSIASREERAKALITCVSHICCVLVFYVTVIGLSLIHRFGKQVPHIVHLIMSYAYFLFPPLMNPITYSVKTKQIQNAILHLFTTHRIGT
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)
MSSSGSSH
P
F
L
L
TGFP---------------
G
L
E
E
A
H
H
W
I
S
V
F
F
L
F
M
Y
I
S
I
L
FGN
G
T
L
L
L
L
I
KEDHNLH
E
P
M
Y
F
F
L
A
M
L
A
A
TDL
G
---
L
A
L
T
T
-
M
P
T
V
L
G
V
L
WL
D
H
R
EIG
S
A
A
----
C
F
S
Q
A
Y
F
I
H
S
--
L
--
S
F
L
ESG
I
--
L
L
A
M
A
Y
D
R
F
I
A
I
CN
P
L
R
Y
T
S
VLTN
T
R
---------
V
V
K
I
G
--------------
L
G
V
L
-
M
R
G
F
V
S
VVPP
I
R
-----
P
-
L
Y
F
F
-----
L
Y
C
---
H
S
H
V
L
S
H
A
--
F
C
L
H
Q
D
V
I
--
K
L
ACA-------D
T
T
F
-
N
R
-
L
Y
P
A
V
L
V
V
F
----------
I
F
V
L
D
----------------
Y
-----
L
I
I
F
I
----
S
Y
V
L
I
L
K
T
V
L
S
I
A
-------
S
R
-----------
E
--------------------
E
R
A
K
A
L
I
T
C
V
S
------
H
I
C
C
V
L
V
F
Y
V
T
V
I
G
L
S
-----
L
I
H
R
F
G
KQ-
V
--------
P
H
--
I
-----
V
H
L
I
M
S
Y
A
Y
F
LF-----PPL-------MNP
I
T
Y
S
V
K
T
K
Q
I
Q
--
N
A
I
L
H
L
F
TTHRIGT-----------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
92.91
18%
-162
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-333]
------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
90.95
16%
-152
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSPFEAPQYYL
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
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
ASATTQK
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
TTVSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
88.04
23%
-145
- C2 -
3VG9
8
?
A:
[21-306]
---------------------------------------------------
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
FV
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
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
L
----
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
-------
L
P
-----------
G
--------------------
E
R
A
R
S
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
-----
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
-------
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--
Q
T
F
R
K
I
I
R
S
H
V
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
87.31
23%
-148
- C2 -
3VGA
1
AA2AR_HUMAN
A:
[21-306]
---------------------------------------------------
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
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
L
----
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
-------
L
P
-----------
G
--------------------
E
R
A
R
S
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
-----
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
-------
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--
Q
T
F
R
K
I
I
R
S
H
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
87.18
22%
-148
- C2 -
4UHR
1
AA2AR_HUMAN
A:
[21-306]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
A
I
------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
--
L
--
T
A
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
--------------
I
G
L
T
P
M
L
G
W
N
N
C
G
Q
P
K
E
-----
G
-
K
A
--------
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
L
----
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
-------
L
P
-----------
G
--------------------
E
R
A
R
S
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
83.76
15%
-160
- C2 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
--------------------------------------
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
-
L
YL------
K
K
FI
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
83.43
22%
-148
- C2 -
2YDO
3
?
A:
[21-306]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
A
I
------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
--
L
--
T
A
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
--------------
I
G
L
T
P
M
L
G
W
N
N
C
G
Q
P
K
E
-----
G
-
K
A
H
S
-----
Q
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
L
----
A
A
R
R
Q
L
K
Q
M
E
S
------------------------------------------------
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
-----
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
-------
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
83.34
22%
-151
- C2 -
2YDV
6
?
A:
[21-306]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
A
I
------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
--
L
--
T
A
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
--------------
I
G
L
T
P
M
L
G
W
N
N
C
G
Q
P
K
E
-----
G
-
K
A
H
S
-----
Q
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
L
----
A
A
R
R
Q
L
K
Q
M
E
S
Q
----------------------------------------------
S
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
-----
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
-------
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
80.15
22%
-151
- C2 -
4UG2
3
?
A:
[21-306]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
A
I
------
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
--
L
--
T
A
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
--------------
I
G
L
T
P
M
L
G
W
N
N
C
G
Q
P
K
E
-----
G
-
K
A
H
S
-----
Q
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
L
----
A
A
R
R
Q
L
--------------------------------------------------
A
R
S
T
L
Q
K
E
V
------
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
-
C
--------
P
D
--
C
-----
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
-------
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
--
Q
T
F
R
K
I
I
R
S
H
V
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
78.55
14%
-146
- C2 -
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
76.87
12%
-129
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSPFEAPQYYL
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
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
GDDEA
S
T
T
V
S
K
TETSQVAPA---------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
75.84
16%
-142
- C2 -
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
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
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
25
HHSearch
75.48
21%
-170
- C2 -
3EML
8
ENLYS_BPT4
A:
[22-222]
-------------------------------------
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
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
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
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
72.66
21%
-154
* C2 *
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
-------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
71.39
16%
-145
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
----------------------------------
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
---
F
A
L
-
T
-
L
P
I
W
A
A
S
K
-
V
N
G
W
I
F
G
T
F
L
----
C
K
V
V
S
L
L
K
E
V
--
N
--
F
Y
S
G
I
L
L
--
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
-
Q
K
R
H
L
---------
V
K
F
V
C
--------------
L
G
C
W
-
G
L
S
M
N
L
S
L
P
F
F
L
-----
F
-
R
Q
A
Y
-----
H
P
-------
N
N
S
S
P
--
V
C
Y
E
V
L
G
N
------
D
-------
T
A
K
W
-
R
M
-
V
L
R
I
L
P
H
T
F
----------
G
F
I
V
P
----------------
L
-----
F
V
M
L
F
----
C
Y
G
F
T
L
R
T
L
F
K
A
H
-------
M
------------
G
--------------------
Q
K
H
R
A
M
R
V
I
F
A
------
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
-----
L
A
D
T
L
M
R
T
-
Q
VIQE
S
C
E
R
R
N
N
I
G
-----
R
A
L
D
A
T
E
I
L
G
F
L
-----
H
S
C
-------
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
--
H
G
F
L
K
I
L
A
M
H
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
71.15
19%
-160
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
--------------------------------------
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
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
71.06
12%
-154
- C2 -
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
DD
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
HSGSN
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
NAK
L
K
P
V
Y
D
S
L
D
A
V
R
-----
R
A
A
-------
L
I
N
M
V
F
Q
M
G
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
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---------------------
44
Fugue
70.39
15%
-152
- C1 -
3ZPJ
-
?
A:
[1-356]
M
T
T
L
E
E
I
N
L
L
V
E
R
G
Y
-----------------
Y
E
E
A
L
A
K
V
Y
E
I
E
D
P
I
E
Q
V
Q
V
L
T
K
I
V
V
T
I
Y
Q
H
D
G
P
M
E
W
I
P
S
I
M
E
D
A
M
Y
I
A
K
K
L
R
D
P
A
N
K
A
V
A
-
Y
S
I
I
A
S
T
L
A
I
M
E
Y
E
E
D
A
M
D
----
F
F
N
R
A
I
D
E
A
N
--
E
IE
S
P
I
E
K
G
M
--
V
L
S
T
L
A
Y
H
L
A
I
A
G
Y
P
D
N
A
L
E
I
F
N
I
A
F
---------
D
T
I
I
G
AETS
Y
T
H
K
V
D
G
I
L
R
I
G
D
L
-
L
E
K
A
G
D
T
L
P
S
N
E
-----
A
-
M
D
F
Y
-----
K
M
A
---
F
D
I
F
D
K
L
H
--
V
N
Q
R
A
A
I
V
E
K
K
I
E
L
A
-------
K
T
V
Y
-
D
V
-
G
L
P
Q
I
R
A
A
L
L
K
GK
N
H
Y
A
L
A
I
I
K
K
K
----------------
Y
SG
V
M
R
L
I
G
E
L
----
E
V
A
L
W
M
K
R
V
N
N
M
E
-------
Y
L
-----------
D
--------------------
V
V
D
K
A
F
E
C
C
E
S
PRFT
D
V
N
V
Q
H
I
A
R
L
L
T
E
L
G
N
L
R
-----
R
A
L
K
F
A
K
E
-
I
--------
Q
N
--
I
-----
H
K
R
S
E
A
L
K
A
I
A
L
-----
E
L
V
R
R
KKFEE
V
K
K
I
I
E
S
I
P
D
P
K
I
R
--
E
E
A
L
N
E
I
G
T
I
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
69.94
26%
-139
- C2 -
3REY
1
AA2AR_HUMAN
A:
[21-223]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
T
I
------
S
T
G
F
C
A
----
A
C
H
G
C
L
F
I
A
C
F
V
L
--
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
---------
A
A
G
I
-----------------
I
A
-
I
C
W
V
L
S
F
A
I
G
L
T
-----
P
-
M
L
G
W
-----
N
N
C
GQP---
G
C
G
E
G
QV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
69.88
26%
-137
- C2 -
3UZA
1
AA2AR_HUMAN
A:
[21-223]
---------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
---
V
G
V
L
A
-
I
P
F
A
I
T
I
------
S
T
G
F
C
A
----
A
C
H
G
C
L
F
I
A
C
F
V
L
--
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
---------
A
A
G
I
-----------------
I
A
-
I
C
W
V
L
S
F
A
I
G
L
T
-----
P
-
M
L
G
W
-----
N
N
C
GQP---
G
C
G
E
G
QV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------