@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 : O14CZ_HUMAN: (2016-01-11 )
MPNSTTVMEFLLMRFSDVWTLQILHSASFFMLYLVTLMGNILIVTVTTCDSSLHMPMYFFLRNLSILDACYISVTVPTSCVNSLLDSTTISKAGCVAQVFLVVFFVYVELLFLTIMAHDRYVAVCQPLHYPVIVNSRICIQMTLASLLSGLVYAGMHTGSTFQLPFCRSNVIHQFFCDIPSLLKLSCSDTFSNEVMIVVSALGVGGGCFIFIIRSYIHIFSTVLGFPRGADRTKAFSTCIPHILVVSVFLSSCSSVYLRPPAIPAATQDLILSGFYSIMPPLFNPIIYSLRNKQIKVAIKKIMKRIFYSENV
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)
----------------MPN
S
T
T
V
M
E
F
L
L
M
R
FSD
V
W
T
L
Q
----------------
I
L
H
S
A
S
F
F
M
L
Y
L
V
T
L
MG
N
I
L
I
V
T
V
TTCDSSLH
M
P
M
Y
F
F
L
R
NLS
I
L
D
A
C
Y
I
S
V
T-V
P
T
S
C
V
N
S
L
-
L
DSTTISK
A
G
C
V
A
Q
V
F
L
V
V
F
F
V
Y
V
E
L
L
F
L
T
I
MAHD
R
Y
V
A
V
CQPLHY
P
V
I
---VN
S
R
I
C
I
Q
M
T
L
A
S
L
L
S
G
L
V
Y
A
GMHTG
S
T
F
Q
LPF
C
R
S
N
V
I
H
Q
F
F
CD
I
P
S
L
L
K
LSC-------S-------DTFS--N
E
V
M
I
V
V
S
ALGVG
G
G
C
F
I
F
I
I
R
S
Y
I
H
I
F
S
T
V
L---------GFPRG-----------A--------------------DR
T
K
A
F
S
T
C
I
P
H
I
L
V
V
S
V
-
F
L
S
S
CS-
S
V
Y
--LRPPAI-------P---
A
---
A
--
T
-------
Q
D
L
I
L
S
G
F
-
Y
S
-IM
P
P
L
F
N
P
I
I
Y
S
LRN
K
Q
I
K
--
V
A
I
K
K
I
M
---
K
R
I
FYSENV---------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
85.34
19%
-129
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
SPFEAPQYYLAE
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
QGSDFGP
I
F
M
T
I
P
A
F
-
F
A
-
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--
N
C
M
V
T
T
L
---
C
C
G
K
N
P
S
T
T
VSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
84.40
17%
-140
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-332]
-----------------------------------
A
V
Y
----------------
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
A
Y
T
L
----
E
G
V
L
C
N
C
S
F
D
Y
I
------------
S
-------
R
D
S
T
--
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
---------
N
H
E
K
E
-----------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
-
S
W
S
P
Y
A
-
V
V
A
--
L
L
A
Q
F
G
-------
P
LEW
V
---
T
--
P
-------
Y
A
A
Q
L
P
V
M
-
F
A
-
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
--
E
A
I
S
Q
T
F
---
P
W
V
L
T
C
C
Q
F
---------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
82.75
19%
-131
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFSNK
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
EAAAQQQES
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
CG
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
81.38
18%
-150
- C2 -
3WI3
17
SLD3_YEAST
A:
[8-275]
------------------------------
Y
S
D
--
P
K
E
----------------
Y
I
E
S
K
Y
Y
D
A
L
F
------------------
S
I
H
T
P
L
A
Y
F
V
K
S
------------------
N
L
V
R
-
L
K
N
T
C
R
T
K
Y
G
--
S
D
S
Y
K
I
A
Y
Q
A
M
L
Q
K
F
L
L
S
I
V
Q
F
K
D
R
H
D
-
N
R
L
L
L
E
P
------
F
S
S
P
I
A
D
E
K
R
K
N
C
L
T
K
F
V
I
Q
D
E
N
K
N
S
S
----------------
T
I
A
D
L
C
V
V
L
K
-------
S
-------
R
E
I
K
--
L
Q
I
L
L
L
L
E
I
I
G
L
N
D
L
D
W
N
F
-------------------------
R
D
-----------
F
--------------------
D
Y
C
E
Q
L
D
L
Y
L
D
R
A
C
I
L
D
I
-
L
L
S
S
E
T
G
T
I
Q
--
E
H
K
K
N
I
-------
L
---
D
---
K
--
S
-------
K
E
A
S
L
V
G
F
-
I
N
Y
V
L
I
P
Y
F
N
--------
K
K
V
P
--
H
A
V
E
F
I
I
---
Q
K
L
K
G
P
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
79.07
18%
-139
* C2 *
1U19
14
OPSD_BOVIN
A:
[41-328]
------------------------------------------------------
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
G
D
---------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
78.72
15%
-140
- 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
LYL
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
A
G
---------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
71.59
12%
-128
- 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
42
Fugue
68.83
16%
-114
* C3 *
1MRO
3
MCRG_METTM
C:
[1-247]
-------------AQY
Y
P
G
T
T
K
V
A
Q
N
R
R
N
F
C
N
P
E
Y
E
L
E
----------------
K
L
R
E
I
S
--
D
E
D
V
V
K
I
L
G
H
-------------
R
A
P
G
E
E
Y
P
S
V
H
P
P
L
E
E
----
M
D
-
E
P
E
D
A
I
R
E
M
-
V
E
P
I
D
G
A
K
A
G
D
----------------------
R
V
R
Y
I
Q
F
T
D
S
M
Y
F
A
P
A
----------
Q
P
Y
V
R
S
R
A
Y
L
C
R
Y
R
G
A
D
A
G
T
L
S
G
-----
R
Q
I
I
E
T
R
E
R
D
L
E
K
I
S
K
E
L
L
-------
E
--------------
T
E
F
F
D
P
A
R
S
G
V
R
G
--------------
K
S
V
H
---------
G
H
S
L
R
-----------
L
--------------------
D
E
D
G
M
M
F
D
M
L
R
R
Q
I
Y
N
K
----
D
T
G
R
-
V
E
M
--
V
K
N
Q
I
G
-------
D
---
E
---
L
--
D
-------
E
P
V
D
L
G
E
P
-
L
D
-
E
E
T
L
M
E
K
T
T
I
Y
R
V
D
G
E
A
Y
R
DD
V
E
A
V
E
I
M
---
Q
R
I
H
V
L
R
S
Q
G
G
F
NL----------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
66.48
13%
-122
- 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
RTQVIQE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
65.19
17%
-117
- C3 -
1HBN
2
MCRG_METTM
C:
[1-247]
-------------AQY
Y
P
G
T
T
K
V
A
Q
N
R
R
N
F
C
N
P
E
Y
E
L
E
----------------
K
L
R
E
I
S
--
D
E
D
V
V
K
I
L
G
H
-------------
R
A
P
G
E
E
Y
P
S
V
H
P
P
L
E
E
----
M
D
-
E
P
E
D
A
I
R
E
M
-
V
E
P
I
D
G
A
K
A
G
D
R
-----
V
R
Y
I
Q
F
T
D
S
M
---------
Y
F
A
P
A
Q
P
Y
V
R
S
R
A
---
Y
L
C
R
Y
R
-----------
G
A
D
A
G
T
L
S
G
R
---------
Q
I
I
E
T
R
E
R
D
L
E
K
I
S
K
E
L
L
-------
E
-------
T
E
F
F
--
D
-----
P
A
R
S
G
V
R
G
--------------
K
S
V
H
---------
G
H
S
L
R
-----------
L
--------------------
D
E
D
G
M
M
F
D
M
L
R
R
Q
I
Y
N
K
----
D
T
G
R
-
V
E
M
--
V
K
N
Q
I
G
-------
D
---
E
---
L
--
D
-------
E
P
V
D
L
G
E
P
-
L
D
-
E
E
T
L
M
E
K
T
T
I
Y
R
V
D
G
E
A
Y
R
DD
V
E
A
V
E
I
M
---
Q
R
I
H
V
L
R
S
Q
G
G
F
NL----------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
63.48
20%
-149
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
------------------------------------------------------
V
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
60.37
18%
-160
- C2 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
--------------------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
F
N
T
T
-------
G
D
P
T
V
C
S
I
S
------------------------
N
----
P
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
---------
Q
R
R
R
K
-----------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
60.30
17%
-143
- C2 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-235]
------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
60.14
16%
-152
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
-------------------------------------------------------
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
K
L
K
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
59.07
15%
-147
- C2 -
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
K
L
K
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
57.91
15%
-140
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-239]
-----------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
52.68
16%
-135
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[63-249]
-------------------------------------
I
----------------
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
G
W
N
C
I
-------
S
A
L
S
S
C
S
T
V
L
P
---------------------
L
-
Y
--
H
K
H
Y
-
I
L
F
C
T
T
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
---------
T
R
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
52.07
26%
-137
- C2 -
2HPY
7
OPSD_BOVIN
A:
[35-144]
-------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
51.83
27%
-141
- C2 -
2X72
3
GNAT1_BOVIN (first)
A:
[35-144]
-------------------------------
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
Q
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
--
C
-------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
51.81
26%
-132
- C2 -
2PED
7
OPSD_BOVIN
A:
[35-144]
-------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------