@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 : OR2A1_HUMAN: (2016-01-12 )
MGENQTMVTEFLLLGFLLGPRIQMLLFGLFSLFYIFTLLGNGAILGLISLDSRLHTPMYFFLSHLAVVDIAYTRNTVPQMLANLLHPAKPISFAGCMTQTFLCLSFGHSECLLLVLMSYDRYVAICHPLRYSVIMTWRVCITLAVTSWTCGSLLALAHVVLILRLPFSGPHEINHFFCEILSVLRLACADTWLNQVVIFAACVFFLVGPPSLVLVSYSHILAAILRIQSGEGRRKAFSTCSSHLCVVGLFFGSAIIMYMAPKSRHPEEQQKVFFLFYSFFNPTLNPLIYSLRNGEVKGALRRALGKESHS
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)
------------------------MGE
N
Q
T
M
V
T
E
F
L
L
L
G
F
--LLG
P
R
I
Q
M
L
L
F
G
-------
L
F
S
L
F
Y
I
F
T
-
L
LGN
G
A
I
---
L
G
L
I
SLDSRL
H
T
P
M
Y
F
F
L
S
H
L
A
V
------
V
D
I
AYTRN
T
-
V
P
Q
M
L
A
N
L
LHPAK-P
I
S
F
A
G
C
M
T
----------
Q
T
---
F
L
C
L
SFG
H
--
S
E
C
----
L
L
L
V
L
MSYD
R
Y
V
A
I
CH
P
L
R
Y
S
V
I
M
T
W
R
V
C
I
T
L
---------------
A
VTSWT
C
G
S
L
L
A
L
A
H
V
V
L
I
LR------LPFSG
P
H
-----------
E
--
I
N
H
F
F
C
----------
E
I
L
S
V
L
R
L
A
C
A
-------
D
-
T
W
L
-
N
-
Q
V
V
I
F
----
A
A
C
V
F
F
--LVGPP
S
L
V
L
V
S
Y
S
H
I
L
A
-
A
I
--
L
R
----I----QSG-----------E--------------------
G
------
R
--------------------
R
K
A
F
S
T
C
S
S
H
L
C
V
V
G
L
F
F
G
S
A
I
I
M
Y
-------MAP---K-----SR---H-----
P
--
E
E
Q
Q
K
V
F
-------
F
L
F
Y
----
S
F
F----------NP
T
L
N
P
L
I
Y
S
LRNG
E
V
K
G
A
L
R
R
A
L-------GK-ESHS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
88.10
17%
-138
- C3 -
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
PLE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
87.04
22%
-127
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
--------------------------------------------
P
L
G
L
K
V
T
I
V
G
-------
L
Y
L
A
V
C
V
G
G
-
L
L
G
N
C
L
V
---
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
T
L
V
L
L
-
T
-
L
P
F
Q
G
T
D
I
L
L
G
F
W
-
P
F
G
N
A
L
C
K
T
----------
V
I
---
A
I
D
Y
Y
N
M
F
--
T
S
T
----
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
-------
T
S
S
K
A
Q
A
V
---------------
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
-------------
G
S
A
-----------
Q
--
V
E
D
E
E
I
----------
E
C
L
V
E
I
P
T
P
-
Q
-------
D
-
Y
W
-----
G
P
V
F
----
A
I
C
I
F
L
FS
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
-
R
L
RG
V
R
----
L
----
L
S
G
-----------
S
--------------------
R
EK
D
R
N
L
R
--------------------
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
V
L
-------
A
Q
G
---
L
-----
G
V
---
Q
-----
P
--
S
S
E
T
A
V
A
-------
I
L
R
F
C
T
A
L
G
Y
V
----------
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
84.90
17%
-132
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------MN
G
T
E
G
PNFYVPF
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
----
A
A
S
-----------
A
--------------------
T
------
T
--------------------
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
-------
A
G
V
---
A
-----
F
Y
---
I
-----
F
--
T
H
Q
G
S
D
F
GPIFM
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-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
84.66
16%
-137
- C3 -
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
---
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
77.86
21%
-167
- C1 -
4XGC
-
?
D:
[5-457]
D
R
E
L
V
S
I
R
R
F
L
K
E
R
L
Q
RDYTTLRG
Y
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
RGSG
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
QLEN
A
A
D
G
K
V
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
HHN
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
PSLRR
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
IQSGA
L
Y
F
S
R
N
H
FDPGE
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
Q
S
P
H
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
-----
D
R
---
D
-----
S
--
F
N
F
E
I
I
Y
-------
A
R
F
S
----
K
F
A
K
V
STTMQAVE
R
S
I
V
L
K
A
F
E
H
L
R
I
A
E
L
I
M
P
L
T
K
V
Q
-------
K
E
F
E
M
H
K
L
ALT
Y
S
Q
I
H
H
C
M
Q
R
YQALPT
E
V
A
Q
W
A
QSS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
Fugue
75.65
16%
-129
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-----------------------------
S
F
K
C
A
L
T
K
T
G
F
-------
Q
F
Y
Y
L
P
A
-------
V
Y
I
L
V
F
I
I
G
-
F
L
G
N
S
V
A
---
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
------
A
D
F
L
Y
V
L
-
T
-
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
----------
Q
R
---
F
I
F
H
V
N
L
Y
--
G
S
I
----
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
L
G
R
L
K
K
K
N
A
I
C
I
---------------
S
V
L
V
W
----
L
I
V
V
V
A
I
S
P
I
L
F
------
Y
S
G
T
G
V
R
-----------
K
--
N
K
T
I
T
C
YDTTSDEY
L
R
S
Y
F
I
Y
S
M
C
T
T
V
-------
A
-
M
F
C
-
V
-
P
L
V
L
I
----
L
G
C
Y
G
L
--
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
T
V
C
G
Y
I
--
Y
N
----
P
----
E
D
G
-----------
D
--------------------
P
------
D
NGVNPGTDFKDIVCPLCGVG
K
D
Q
F
E
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
-------
F
A
V
---------
S
Y
---
I
-----
P
--
F
H
V
M
K
T
M
-------
N
L
R
A
----
R
L
D
----------
F
Q
T
P
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
-------
S
L
-
N
S
C
V
N
P
I
L
Y
F
LAGDTFRRR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
74.39
18%
-105
- C3 -
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
YY
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
AAQQ
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
CGKNPL
G
D
-
D
E
A
S
T
T
V
S
K
TETSQVAPA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
73.97
17%
-111
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-326]
-------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
73.54
16%
-123
- 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
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--------------------------------------------------
38
HHSearch
69.85
18%
-117
- C3 -
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
RTQ
V
I
QE-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
67.99
16%
-125
- 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
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
VIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
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
10
PsiBlast_PDB
67.80
22%
-158
- C3 -
3SN6
1
R:
[188-388]
-------------------------------------------------------------
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
SID
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
EA
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
QLQK
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
I
A
-------
F
Q
-
E
L
L
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
64.26
21%
-137
- C3 -
4DJH
1
ENLYS_BPT4 (first)
A:
[18-218]
--------------------------------------------
S
P
A
I
P
V
I
I
T
A
-------
V
Y
S
V
V
F
V
V
G
-
L
V
G
N
S
L
V
---
M
F
V
I
I
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
-
A
L
V
T
T
T
-
M
P
F
Q
S
T
V
Y
L
M
N
S
W
-
P
--
F
G
D
V
L
C
----------
K
I
---
V
L
S
I
D
Y
Y
N
M
F
T
S
I
----
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
L
K
A
K
I
I
---------------
N
I
C
I
W
L
L
S
S
S
V
G
I
S
A
I
V
L
-------------
G
G
T
-----------
K
--
V
R
E
D
V
D
----------
V
I
E
C
S
L
Q
F
P
D
D
-------
D
Y
S
W
W
-
D
-
L
F
M
K
I
----
C
V
F
I
F
A
--
F
V
I
P
V
L
I
I
I
V
C
Y
T
L
M
----
I
--
L
R
----
L
----
K
S
V
-----------
R
--------------------
L
------
L
--------------------
S
G
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
63.96
20%
-148
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[42-236]
--------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
62.66
20%
-158
- C3 -
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
62.15
20%
-150
- C3 -
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
60.92
24%
-138
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[127-267]
-----------------------------------------------------
A
-------
L
Y
S
A
V
C
A
V
G
-
L
L
G
N
V
L
V
---
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
-
A
L
A
T
S
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
W
-
P
--
F
G
E
L
L
C
----------
K
A
---
V
L
S
I
D
Y
Y
N
M
F
T
S
I
----
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
---------------
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
------
R
P
R
D
G
A
V
-----------
V
--
C
M
L
Q
F
P
----------
S
P
S
W
Y
W
D
T
V
T
K
-------
I
-
C
V
F
-
L
-
F
A
F
V
V
----
P
I
L
I
I
T
--
V
C
Y
G
L
M
L
L
G
S
K
E
K
D
R
S
L
-
R
R
--
I
T
----
R
----
M
V
L
-----------
V
--------------------
V
------
V
--------------------
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
R
R
-------
D
P
L
---
V
-----
V
A
---
A
-----
L
--
H
L
C
I
A
L
G
-------
Y
A
N
S
----
S
L
N
----------
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
60.16
24%
-136
- C3 -
4RWD
4
C562_ECOLX (first)
A:
[127-267]
-----------------------------------------------------
A
-------
L
Y
S
A
V
C
A
V
G
-
L
L
G
N
V
L
V
---
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
-
A
L
A
T
S
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
W
-
P
--
F
G
E
L
L
C
----------
K
A
---
V
L
S
I
D
Y
Y
N
M
F
T
S
I
----
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
---------------
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
------
R
P
R
D
G
A
V
-----------
V
--
C
M
L
Q
F
P
----------
S
P
S
W
Y
W
D
T
V
T
K
-------
I
-
C
V
F
-
L
-
F
A
F
V
V
----
P
I
L
I
I
T
--
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
-
G
S
--
K
E
----
K
----
D
R
S
-----------
L
--------------------
R
------
R
--------------------
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
-------
W
T
L
---
V
-----
D
I
---
D
-----
R
--
R
D
P
L
V
V
A
-------
A
L
H
L
----
C
I
A
----------
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
-------
R
Q
-
L
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
59.79
25%
-139
- C3 -
4EJ4
1
ENLYS_BPT4 (first)
A:
[19-159]
-----------------------------------------------------
A
-------
L
Y
S
A
V
C
A
V
G
-
L
L
G
N
V
L
V
---
M
F
G
I
V
R
Y
T
K
L
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
-
A
L
A
T
S
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
W
-
P
--
F
G
E
L
L
C
----------
K
A
---
V
L
S
I
D
Y
Y
N
M
F
T
S
I
----
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
---------------
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
------
Q
P
R
D
G
A
V
-----------
V
--
C
M
L
Q
F
P
----------
S
P
S
W
Y
W
D
T
V
T
K
-------
I
-
C
V
F
-
L
-
F
A
F
V
V
----
P
I
L
I
I
T
--
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
N
I
F
-
E
M
--
L
R
----
I
----
D
E
G
-----------
L
--------------------
R
------
L
--------------------
K
I
Y
K
N
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
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
59.37
24%
-134
- C3 -
4N6H
14
OPRD_HUMAN
A:
[130-270]
-----------------------------------------------------
A
-------
L
Y
S
A
V
C
A
V
G
-
L
L
G
N
V
L
V
---
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
-
A
L
A
T
S
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
W
-
P
--
F
G
E
L
L
C
----------
K
A
---
V
L
S
I
D
Y
Y
N
M
F
T
S
I
----
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
---------------
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
------
R
P
R
D
G
A
V
-----------
V
--
C
M
L
Q
F
P
----------
S
P
S
W
Y
W
D
T
V
T
K
-------
I
-
C
V
F
-
L
-
F
A
F
V
V
----
P
I
L
I
I
T
--
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
-
G
S
--
K
E
----
K
----
D
R
S
-----------
L
--------------------
R
------
R
--------------------
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
-------
W
T
L
---
V
-----
D
I
---
D
-----
R
--
R
D
P
L
V
V
A
-------
A
L
H
L
----
C
I
A
----------
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
-------
R
Q
-
L
C
R
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------