@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 : O5AR1_HUMAN: (2016-01-12 )
MDKENSSMVTEFIFMGITQDPQMEIIFFVVFLIVYLVNVVGNIGMIILITTDTQLHTPMYFFLCNLSFVDLGYSSAIAPRMLADFLTNHKVISFSSCATQFAFFVGFVDAECYVLAAMAYGRFVAICRPLHYSTFMSKQVCLALMLGSYLAGLVSLVAHTTLTFSLSYCGSNIINHFFCEIPPLLALSCSDTYISEILLFSLCGFIEFSTILIIFISYTFILVAIIRMRSAEGRLKAFSTCGSHLTGITLFYGTVMFMYLRPTSSYSLDQDKWASVFYTVIIPMLNPLIYSLRNKDVKAAFKKLIGKKSQ
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)
------------------MDK
E
N
S
S
----
M
V
T
E
--
F
I
F
MGITQDP
Q
M
E
I
I
F
F
V
V
F
L
I
V
Y
L
V
N
V
VG-----NI
G
M
I
I
L
I
TTD-TQL----HT
P
M
Y
F
F
L
CN
L
-----
S
F
V
DLGYSSA----
I
-----------
A
P
R
----
M
L
A
D
F
LTNH---
K
V
-
I
S
F
S
S
--
C
A
T
Q
F
A
F
F
V
GFVDA
E
C
Y
V
L
A
A
M
AY----G
R
F
V
A
I
CRP
L
H
Y
S
T
F
M
S
K
Q
V
C
L
A
L
M
L
G
S
Y
L
-
A
G
-
L
V
S
L
V
AH
T
T
L
T
F
S
L
S
Y
C
G
S
N
I
I
N
H
F
F
CEIP
P
L
L
A
LSC-------
S
-
D
T
Y
I
---------
S
------
E
I
L
-
L
F
S
L
C
G
F
----------
I
E
F
S
T
I
L
I
I
F
I
S
-
Y
T
F
--------
I
L
V
A
I
I
R
MRS-----------A--------------------E--------G-------------------
R
L
K
A
F
S
T
CG------SHL
T
G
I
T
L
F
Y
G
T
V
M
F
M
Y
LRPT--S---S-Y---S------L
D
Q
--
D
---
K
-------
W
-----------
A
S
V
F
Y
T
V
I
I
-
P
M
L
N
P
------------
L
-
I
Y
S
LRNK
D
V
K
A
A
F
K
K
L
IGKKSQ-------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
92.90
18%
-148
* C4 *
2KS9
1
NK1R_HUMAN
A:
[35-323]
--------------------------------------------------
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
PGDSSDRYH
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
DLY
L
------
K
K
F
--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
86.44
17%
-153
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-332]
-----------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
85.27
14%
-132
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------MN
G
T
E
G
PNFYVP
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
Y
T
---------
P
HEETN
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
DFGPIFM
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
PSTTVSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
80.43
16%
-130
- C4 -
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
44
Fugue
79.76
13%
-122
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------MN
G
T
E
G
PNFYVP
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
DYYTP
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
QGSDFGPIFM
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
PLGDDEA
S
T
T
V
S
K
TETSQVAPA---------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
78.23
13%
-131
- C4 -
1U19
14
OPSD_BOVIN
A:
[42-326]
-------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
74.46
18%
-161
- C3 -
4L9B
5
?
A:
[2-393]
--VLKGINFP
E
N
E
A
S
I
L
D
L
A
M
Q
N
R
S
----
G
V
L
D
GM
T
I
D
I
L
N
T
T
S
N
Q
L
A
L
F
H
G
T
A
V
L
Q
G
Y
G
I
E
I
T
G
-----
A
P
D
V
L
V
D
-
T
T
G
-
Q
S
N
----
E
T
M
L
L
C
L
T
I
D
L
-----
N
Q
V
N
V
P
S
G
T
A
----
V
DYKQ
I
R
L
E
F
L
D
V
P
T
----
L
L
K
Q
Y
W
R
D
H
SLH
D
L
-
I
D
P
R
R
--
V
I
S
M
P
L
Y
W
I
T
F
G
Q
T
G
T
T
P
L
Y
E
Q
I
K
----
S
N
Y
I
D
N
S
G
N
P
A
Y
G
I
A
A
R
C
E
N
F
N
H
F
I
---
N
K
-
V
A
-
V
Q
S
I
P
I
N
G
V
A
N
R
P
V
S
S
T
A
S
Q
L
T
N
Y
K
V
W
R
N
P
Y
L
C
S
Q
D
P
-------
R
-
D
K
F
A
---------
P
------
D
N
L
-
V
I
E
E
D
G
I
----------
Y
R
I
D
I
S
G
S
I
N
I
A
N
Y
T
F
PARVG
G
R
Y
F
Q
I
V
C
A
R
N
S
S
-----------
A
--------------------
N
--------
N
LAEFGAE
Q
H
L
P
P
S
GVWTRR
V
L
V
G
E
Y
T
A
G
MT
E
Q
A
F
S
S
V
A
T
I
S
L
F
K
G
D
N
F
F
L
Q
F
E
T
G
--
T
---
N
-
T
---
S
--------
R
--
D
---
S
-------
A
-----------
Y
N
N
G
Y
G
T
S
G
-
T
H
L
R
N
------------
F
-
S
Y
T
L
E
R
V
G
------
D
L
N
G
T
A
Y
Y
DNGTF--------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
70.75
18%
-152
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[37-235]
--------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
69.82
15%
-127
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
-----------------------------------------------
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
RT
Q
V
I
---
Q
E
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
69.51
17%
-148
- C1 -
19HC
15
CYC9_DESDA
A:
[1-292]
------------------
A
A
L
E
P
T
D
SGAP
S
A
I
V
--
M
F
P
V
G
E
K
P
N
P
K
G
A
A
M
K
P
V
V
F
N
H
L
I
H
E
K
K
--------------
I
A
D
C
-
E
T
C
----
H
H
T
G
D
P
V
S
C
S
T
-----
C
H
T
V
E
G
K
A
E
G
DYIT
L
-----------
D
R
A
----
M
H
A
T
D
I
A
A
R
---
A
K
G
N
T
P
T
S
--
C
V
S
C
H
Q
S
E
T
K
E
-
R
R
E
C
A
G
C
H
A
I
T
T
PKDD
E
A
W
C
A
T
C
H
D
I
T
P
S
--
M
T
P
S
E
M
Q
K
G
I
A
G
T
L
L
-
P
G
D
N
E
A
L
A
A
E
T
V
L
A
E
A
T
V
A
P
V
S
P
M
L
A
P
Y
K
V
V
I
D
A
L
A
D
K
Y
E
-------
P
-
S
D
F
T
---------
H
------
R
R
H
-
L
T
S
L
M
E
S
----------
I
K
D
D
K
L
A
Q
A
F
H
D
-
K
P
E
--------
I
L
C
A
T
C
H
H
R
S
-----------
P
--------------------
L
--------
S
-------------------
L
--
T
P
P
K
C
G
------
S
C
H
T
--------------
K
E
I
--
D
---
A
-
A
---
D
------
P
G
R
--
P
---
N
-------
L
-----------
M
A
A
Y
H
L
E
C
M
-
G
C
H
K
G
------------
M
A
V
A
R
P
R
D
T
D
C
T
T
C
H
K
A
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
66.10
25%
-147
- C4 -
2R4S
-
ADRB2_HUMAN
A:
[38-203]
----------------------------------------------------
I
V
M
S
L
I
V
L
A
I
V
F
G
-----
N
V
L
V
I
T
A
I
A
-
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
-----------------------
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
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
I
D
K
S
E
-------
G
-
R
F
H
V
---------
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
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
R
R
S
S
L
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
65.28
26%
-147
- C4 -
2R4R
-
ADRB2_HUMAN
A:
[38-203]
----------------------------------------------------
I
V
M
S
L
I
V
L
A
I
V
F
G
-----
N
V
L
V
I
T
A
I
A
-
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
-----------------------
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
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
I
D
K
S
E
-------
G
-
R
F
H
V
---------
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
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
R
R
S
S
L
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
65.10
16%
-168
- C4 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
63.78
17%
-156
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[9-200]
------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
62.38
25%
-148
- C4 -
3KJ6
1
ADRB2_HUMAN
A:
[39-204]
----------------------------------------------------
I
V
M
S
L
I
V
L
A
I
V
F
G
-----
N
V
L
V
I
T
A
I
A
-
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
----------------------
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
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
I
D
K
S
E
-------
G
-
R
F
H
V
---------
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
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
R
R
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
62.03
14%
-165
- C4 -
3EML
8
ENLYS_BPT4
A:
[22-221]
------------------------------------------------
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
VP-------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
62.01
15%
-141
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
-----------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
61.77
26%
-155
- C4 -
3P0G
1
ENLYS_BPT4
A:
[46-173]
----------------------------------------------------
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
-
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
R
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
61.67
14%
-138
- C2 -
1YT3
11
RND_ECOLI
A:
[1-375]
M
N
Y
Q
M
I
TT
D
D
A
L
A
S
L
C
E
A
V
R
A
F
P
A
I
----
A
L
D
T
--
E
F
V
R
T
R
T
Y
Y
P
Q
L
G
L
I
Q
L
F
D
G
E
H
L
A
L
I
D
P
L
G
ITDW
S
P
L
K
A
I
L
R
D
P
S
I
-
T
K
F
L
H
AG
S
E
D
L
E
V
F
L
N
V
F
GELPQ
P
L
I
D
T
Q
I
L
A
A
----
F
-----------
C
G
R
PMSW
G
F
A
S
M
V
E
E
Y
---
S
G
-
V
T
L
D
K
--
S
E
S
R
T
D
W
L
A
R
P
L
T
E
R
Q
C
E
Y
A
A
A
D
V
----
W
Y
L
L
P
I
T
A
K
L
M
V
E
T
E
A
S
G
W
L
P
A
A
L
D
E
C
R
L
M
-
Q
M
-
R
R
Q
E
V
V
A
P
E
D
A
W
R
D
I
T
N
A
W
Q
L
R
T
R
Q
L
A
C
L
Q
L
L
A
D
W
R
L
-------
R
-
K
A
R
E
R
DLAVNFVV
R
------
E
E
H
-
L
W
S
V
A
R
Y
MPGS
L
G
E
L
D
S
L
G
L
S
G
S
E
I
R
F
H
G
-
K
T
L
--------
L
A
L
V
E
K
A
Q
T
L
-----------
P
--------------------
E
--------
D
-------------------
A
L
P
Q
P
M
L
N
L
------
M
D
M
P
G
Y
R
K
A
F
K
A
I
K
S
L
I
T
D
V
S
--
E
---
T
-
H
---
K
------
I
S
A
--
E
---
L
-------
L
-----------
A
S
--
R
R
Q
I
N
-
Q
L
L
N
W
H
W
KLKPQNNLPE
L
-
I
S
G
W
R
G
E
L
M
A
E
A
L
H
N
L
L
Q
E
Y
P
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
61.24
26%
-159
- C4 -
2RH1
5
ADRB2_HUMAN (first)
A:
[45-172]
----------------------------------------------------
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
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------