@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 : OR2A4_HUMAN: (2016-01-12 )
MGDNITSIREFLLLGFPVGPRIQMLLFGLFSLFYVFTLLGNGTILGLISLDSRLHAPMYFFLSHLAVVDIAYACNTVPRMLVNLLHPAKPISFAGRMMQTFLFSTFAVTECLLLVVMSYDLYVAICHPLRYLAIMTWRVCITLAVTSWTTGVLLSLIHLVLLLPLPFCRPQKIYHFFCEILAVLKLACADTHINENMVLAGAISGLVGPLSTIVVSYMCILCAILQIQSREVQRKAFRTCFSHLCVIGLVYGTAIIMYVGPRYGNPKEQKKYLLLFHSLFNPMLNPLICSLRNSEVKNTLKRVLGVERAL
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)
-------------------------------------MGD
N
I
T
S
I
R
E
-
F
L
L
LGFP--VG
P
R
I
Q
M
L
L
F
---------
G
L
F
S
L
F
Y
V
F
T
-LLGN
G
T
I
L
G
L
I
S-----LDSRL
H
A
P
M
Y
F
F
L
S
H
-----------
L
A
V
-
V
--------------
D
I
A
Y
A
-----
C
N
T
-
V
P
R
M
L
V
N
LLHPAK-
P
I
S
----------
F
A
G
R
M
M
Q
--
T
F
L
--------------
F
S
--
T
F
A
V
T
E
------
C
L
-
L
L
V
V
MSY
D
L
Y
V
A
I
C
H
P
L
---
R
Y
L
A
I
M
T
W
R
V
C
I
T
L
A
VTSW
T
T
G
V
L
L
S
L
I
H
L
V
-----
L
L
--LPLPFCR
P
Q
K
I
-
Y
H
F
---------------------------------
F
--------
C
E
I
L
A
V
L
K
L
A
CA-------DTHI-N-E----N-M
V
L
A
G
A
I
S
G
L
--------
V
G
P
L
S
T
----
I
V
V
S
Y
M
C
I
L
C
A
I
L
Q
I
--------
Q
S
R
-----------
E
--------------------
V
Q
R
K
A
F
R
T
C
F
S
H
---
L
C
V
I
G
L
V
---
Y
G
T
--------
A
I
-------
I
M
Y
VGPR----Y---G---
N
-----
P
---------
K
E
Q
K
K
Y
L
L
L
-
F
H
S
L
F
N
P
-
M
L
N
P
L
----------
I
C
S
LR
N
S
E
V
K
N
T
L
K
R
V
LGVERAL------------------------------------------------------
7
PsiBlast_PDB
82.54
23%
-139
- C4 -
4GBR
1
ADRB2_HUMAN
A:
[13-286]
-------------------------------------------------------------------------------
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
I
D
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
----------------------------------------------------------
5
PsiBlast_PDB
80.96
23%
-136
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-283]
----------------------------------------------------------------
L
L
P
---------
P
L
Y
S
L
V
F
I
F
G
-
F
V
G
N
M
L
V
I
L
I
L
I
-----
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
-----------
L
A
I
-
S
--------------
D
L
F
F
L
-----
L
-
T
-
V
P
F
W
---
A
H
Y
A
A
A
-
Q
W
D
----------
F
G
N
T
M
C
Q
L
L
T
G
L
--------------
Y
F
--
I
G
F
F
S
G
------
I
F
-
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
---
F
A
L
K
A
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
-------------
F
T
R
S
Q
K
E
G
L
H
Y
---------------------------------
T
--------
C
S
S
----
H
F
P
Y
S
-------
Q
Y
Q
F
-
W
-
K
----
N
F
Q
T
L
K
I
V
I
L
G
L
--------
V
L
P
L
L
V
----
M
V
I
C
Y
S
G
I
L
K
T
L
L
R
M
--------
K
K
---------------------------------------
Y
T
C
-------
T
V
C
G
Y
I
---
Y
-----------------------
N
P
E
----
D
---
G
---
D
-----
P
---------
D
N
G
V
N
P
G
T
D
-
F
K
D
I
P
D
D
-
W
V
C
P
L
CG--------
V
G
K
D
Q
F
E
E
V
E
E
E
K
K
R
H
R
D
V
R
L
I
F
------------------------------------------------------
44
Fugue
79.80
15%
-136
- 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
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
AASATTQ-
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
STTVSKTETS
Q
V
A
P
A---------------------------------------
38
HHSearch
79.10
15%
-141
- 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
GPL
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
------------------------------------------------------
35
HHSearch
78.40
15%
-139
- C4 -
2KS9
1
NK1R_HUMAN
A:
[35-324]
-----------------------------------------------------------------
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
NP-
D
---
L
---
Y
L----
K
KF-------
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
------------------------------------------------------
48
Fugue
77.50
15%
-119
- 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
YL
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
AAQQQESA
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
LGDDEA
S
T
T
V
S
K
TETSQVAPA---------------------------------
36
HHSearch
76.93
17%
-126
* 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
P
------------------------------------------------------
32
HHSearch
71.86
16%
-117
- 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
IQE
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
--------------------------------------------------------
15
PsiBlast_PDB
69.16
23%
-162
- C4 -
4LDL
3
ADRB2_HUMAN
A:
[190-402]
-------------------------------------------------------------------------------
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
------------------------------------------------------
14
PsiBlast_PDB
68.86
23%
-163
- C4 -
4LDE
3
A:
[190-402]
-------------------------------------------------------------------------------
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
------------------------------------------------------
16
PsiBlast_PDB
68.82
23%
-161
- C4 -
4LDO
3
A:
[190-402]
-------------------------------------------------------------------------------
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
------------------------------------------------------
9
PsiBlast_PDB
66.95
23%
-156
- C4 -
4NC3
10
C562_ECOLX
A:
[43-247]
-------------------------------------------------------------------------------------
T
-
I
G
G
N
T
L
V
I
L
A
V
S
-----
L
E
K
K
L
Q
Y
A
T
N
Y
F
L
M
S
-----------
L
A
V
-
A
--------------
D
L
L
V
G
-----
L
F
V
-
M
P
I
A
L
L
T
I
M
F
E
A
M
W
P
L
P
----------
L
V
L
C
P
A
W
--
L
F
L
--------------
D
V
--
L
F
S
T
A
S
------
I
W
-
H
L
C
A
I
S
V
D
R
Y
I
A
I
K
K
P
I
QAN
Q
Y
N
S
R
A
T
A
F
I
K
I
T
V
V
---
W
-------
L
I
S
I
G
-----
I
A
--
I
P
V
P
------
I
-
K
G
I
---------------------------------
E
--------
T
-
V
D
N
P
N
N
I
T
C
V
-------
L
T
K
E
-
R
F
G
----
D
-
F
M
L
F
G
S
L
A
A
F
--------
F
T
P
L
A
I
----
M
I
V
T
Y
F
L
T
I
H
A
-
L
Q
K
--------
K
A
A
-----------
D
--------------------
L
E
D
N
-
W
E
T
L
N
D
N
---
L
K
V
I
E
K
A
---
D
N
A
--------
A
Q
-------
V
K
D
A
L
T
K
----
M
---
R
---
A
-----
K
---------
D
F
R
H
G
F
D
I
L
-
V
G
Q
I
D
D
A
-
L
K
L
A
N
----------
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
------------------------------------------------------
52
Fugue
65.37
19%
-176
- C1 -
4XGC
-
?
D:
[5-457]
D
R
E
L
V
S
I
R
R
F
L
K
E
R
L
Q
RDYTTLRGY
A
K
E
R
S
N
V
R
L
L
L
Q
R
T
A
E
M
G
E
S
N
S
-
L
L
L
L
G
-
P
--
R
G
S
G
K
T
T
L
I
N
---------
S
V
L
A
D
L
L
P
N
K
-
S
F
G
E
N
T
L
I
--
V
H
-----
L
D
G
N
L
H
T
D
D
R
V
A
L
K
S
-----------
I
T
V
Q
M
--------------
Q
L
E
N
A
ADGKV
F
G
S
-
F
A
E
N
L
A
F
L
L
Q
C
L
K
-
S
K
S
V
I
F
I
L
E
E
F
D
L
F
C
A
H
H
N
Q
--
T
L
L
--------------
Y
N
--
L
F
D
V
S
Q
S
AQ
A
P
I
C
V
-
L
G
V
T
C
R
L
D
V
I
E
L
L
--
E
K
---
R
V
K
S
R
F
S
H
R
Q
V
F
L
F
P
S
L
R
R
F
E
D
Y
V
D
L
C
R
D
L
L
-----
S
L
P
T
G
N
S
L
L
L
A
A
E
K
I
-
Y
N
L
Q
N
IQSGALYFSRNHFDPGE
Y
G
F
S
P
R
L
R
D
A
W
N
K
Q
I
--------
C
K
V
L
A
T
Q
Q
A
R
S
T
-------
L
Q
A
L
-
H
-
D
F
DIS
E
-
A
Y
L
K
N
F
L
F
R
L
--------
V
A
H
L
R
P
QSPH
I
T
A
E
K
M
A
A
V
G
S
Q
F
E
---------
G
D
D
-----------
K
--------------------
I
E
L
L
C
G
L
S
V
L
E
L
---
C
L
I
I
A
I
K
---
H
H
S
--------
Q
I
Y
DRDSFN
F
E
I
I
Y
A
R
----
F
---
S
---
K
-----
F
A
K
V
STTMQA
V
E
R
S
I
V
L
K
A
-
F
E
H
L
R
I
A
E
L
I
M
P
L
TKVQKEF
E
M
H
K
L
A
L
T
Y
S
Q
I
H
H
C
M
Q
R
Y
Q
A
L
P
T
E
V
A
Q
W
A
QSS-----------------------------------------------
18
PsiBlast_PDB
65.02
23%
-157
- C4 -
3SN6
1
R:
[190-381]
-------------------------------------------------------------------------------
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
ID
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
---
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
I
D
K
S
E
G
R
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
------------------------------------------------------
50
Fugue
64.41
12%
-158
- C3 -
2OZE
3
?
A:
[15-298]
-------------------------------------
M
E
K
E
E
L
K
I
L
E
-
E
L
R
R
I
L
S
--
N
K
N
E
A
I
V
I
L
N
N
Y
FKGGVG
K
S
K
L
S
T
M
F
A
Y
L
-
T
D
K
L
N
L
K
V
L
M
I
D
-----
K
D
L
Q
A
T
L
T
K
D
L
A
K
T
F
KVELPRVN
F
Y
E
G
L
K
-
N
--------------
G
N
L
A
S
-----
S
I
V
-
H
L
T
D
N
L
D
L
I
P
G
T
F
-
D
L
M
----------
L
L
P
K
L
T
R
SW
T
F
E
--------------
N
E
--
S
R
L
L
A
T
------
L
L
-
A
P
L
K
S
D
Y
D
L
I
I
I
D
T
V
P
------------------
T
P
S
V
Y
T
N
N
A
I
V
A
S
D
Y
V
M
-----
I
P
--
L
Q
A
E
E
E
S
T
N
N
I
-
Q
N
Y
---------------------------------
I
--------
S
Y
L
I
D
L
Q
E
Q
F
--------------
N
-
P
----
G
-
L
D
M
I
G
F
V
P
Y
L
--------
V
D
T
-------------------------------
D
S
-----------
A
--------------------
T
I
K
S
N
L
E
E
L
Y
K
Q
---
H
K
E
D
N
L
V
---
F
Q
N
--------
I
I
K
RS
N
---
K
V
S
T
W
S
K
----
N
---
G
---
I
-----
T
----------
E
H
K
G
Y
D
K
K
-
V
L
S
M
Y
K
N
-
V
F
F
E
M
----------
L
E
R
I
I
Q
L
E
N
E
K
E
-----------------------------------------------------------------
28
HHSearch
64.40
19%
-155
- C4 -
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
------------------------------------------------------
29
HHSearch
63.33
20%
-159
- C4 -
3EML
8
ENLYS_BPT4
A:
[23-222]
----------------------------------------------------------------
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
------------------------------------------------------
8
PsiBlast_PDB
62.79
23%
-155
- C4 -
4IB4
8
5HT2B_HUMAN (first)
A:
[43-247]
-------------------------------------------------------------------------------------
T
-
I
G
G
N
T
L
V
I
L
A
V
S
-----
L
E
K
K
L
Q
Y
A
T
N
Y
F
L
M
S
-----------
L
A
V
-
A
--------------
D
L
L
V
G
-----
L
F
V
-
M
P
I
A
L
L
T
I
M
F
E
A
M
W
P
L
P
----------
L
V
L
C
P
A
W
--
L
F
L
--------------
D
V
--
L
F
S
T
A
S
------
I
W
-
H
L
C
A
I
S
V
D
R
Y
I
A
I
K
K
P
I
QAN
Q
Y
N
S
R
A
T
A
F
I
K
I
T
V
V
---
W
-------
L
I
S
I
G
-----
I
A
--
I
P
V
P
------
I
-
K
G
I
---------------------------------
E
--------
T
---
N
P
N
N
I
T
C
V
-------
L
T
K
E
-
R
F
G
----
D
-
F
M
L
F
G
S
L
A
A
F
--------
F
T
P
L
A
I
----
M
I
V
T
Y
F
L
T
I
H
A
-
L
Q
K
--------
K
A
A
-----------
D
--------------------
L
E
D
N
-
W
E
T
L
N
D
N
---
L
K
V
I
E
K
A
---
D
N
A
--------
A
Q
-------
V
K
D
A
L
T
K
----
M
---
R
---
A
-----
A
---------
A
L
D
A
Q
K
K
D
F
-
R
H
G
F
D
I
L
-
V
G
Q
I
D
----------
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
------------------------------------------------------
26
HHSearch
61.25
17%
-160
- 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
K
------------------------------------------------------
49
Fugue
59.97
18%
-124
- C4 -
4QIQ
1
XYLE_ECOLI
A:
[7-470]
--------------S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
-
V
F
V
A
P
Q
N
--
L
S
E
S
A
A
N
S
L
L
---------
G
F
C
V
A
S
A
L
I
G
-
C
I
I
G
G
A
L
G
G
Y
C
S
N
RFG
R
R
D
S
L
K
I
A
A
V
L
F
F
I
S
G
-----------
V
G
S
-
A
WPELGFTSINPDNT
V
P
V
Y
L
-----
A
G
Y
-
V
P
E
F
V
I
Y
R
I
I
G
G
I
-
G
V
G
----------
L
A
S
M
L
S
P
--
M
Y
I
A
E
LAPAHI
R
G
K
L
V
S
F
N
--
Q
F
A
I
I
F
------
G
Q
-
L
L
V
-
Y
C
V
N
Y
F
I
A
R
S
G
D
A
---
S
W
L
N
T
D
G
W
R
Y
M
--
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
PESPR
W
L
--
M
T
L
A
T
Q
A
V
Q
E
I
-
K
H
S
---------------------------------
L
DRL
L
M
F
G
V
G
V
I
V
I
G
V
M
L
S
I
F
-------
Q
Q
F
V
-
G
-
I
----
N
-
V
V
L
Y
Y
A
P
E
V
F
K
T
L
GAS
T
D
I
A
L
L
Q
T
----
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
--------
M
T
V
-----------
D
K-------------------
F
G
R
K
P
L
Q
I
I
G
A
L
---
G
M
A
I
G
M
F
---
S
L
G
--------
T
A
-------
F
Y
T
Q
A
P
G
----
I
---
V
---
A
-----
L
---------
L
S
M
L
F
Y
V
A
A
-
F
A
M
S
W
G
P
-
V
C
W
V
L
----------
L
S
E
I
F
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
W
L
A
N
Y
F
V
S
W
T
FPMMDKN
S
W
L
V
A
H
FHNGF
S
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
KFVPETKGKTL