@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 : O4A47_HUMAN: (2016-01-11 )
MEPRKNVTDFVLLGFTQNPKEQKVLFVMFLLFYILTMVGNLLIVVTVTVSETLGSPMYFFLAGLSFIDIIYSSSISPRLISGLFFGNNSISFQSCMAQLFIEHIFGGSEVFLLLVMAYDCYVAICKPLHYLVIMRQWVCVVLLVVSWVGGFLHSVFQLSIIYGLPFCGPNVIDHFFCDMYPLLKLVCTDTHAIGLLVVANGGLACTIVFLLLLISYGVILHSLKNLSQKGRQKALSTCSSHMTVVVFFFVPCIFMYARPARTFPIDKSVSVFYTVITPMLNPLIYTLRNSEMTSAMKKLWRRDLISSST
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------.........---------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEPRKN-V
T
D
-
F
V
L
L
GFTQ---------------NPK
E
Q
K
V
--------------
L
F
V
M
F
L
L
F
Y
I
--
L
T
M
VG---
N
L
L
I
V
V
T
V
T
V
S
E
TLG
S
P
M
Y
F
F
L
A
G
L
S
F
I
D
I
-
I
-----YSSSI-
S
P
R
L
I
S
--
G
L
F
-FGNN-SI
S
F
Q
S
C
M
A
Q
L
F
I
E
H
IFG
G
S
E
V
F
L
--
L
L
V
M
A
Y
D
C
Y
V
A
-
I
C
K
P
L
--------
H
Y
L
V
-
I
---
M
R
Q
W
---
V
----
C
V
V
L
L
V
V
S
W
V
-------
G
-
G
F
L
H
S
V
F
Q
L
S
-----
I
I
YGLP--------------------------------FC
G
P
N
V
I
D
H
-------------
F
F
C
D
M
Y
P
L
L
K
L
V
CTDT-H-
A
----------------
I
G
L
L
V
VAN--G
G
L
A
C
T
I
V
F
L
L
L
L
I
S
Y
G
V
I
L
H
S
L
K
N
L
S
Q
K
------------
G
-
R
---------------------
Q
K
A
L
S
T
C
SSH
M
T
V
V
V
F
F
F
V
P
C
I
F
M
YA---------RPAR----T------F---------P-I----DK---------S
V
S
V
F
Y
T
V
I
-----
T
P
M
L
N
P
L
I
Y
T
LRN
S
E
M
T
S
A
M
K
K
L
W
--------
R
R
D
LISSST---------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
92.47
20%
-139
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
-
P
N
F
-
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
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
GW
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
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
GSDFGPIFM
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
89.82
16%
-155
- C5 -
2Z73
5
OPSD_TODPA
A:
[33-332]
-------------------------------------
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
PLE---
W
VT-------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
89.25
23%
-174
- C5 -
4ZWJ
-
?
A:
[204-477]
----------------------------------------------------------
M
F
L
L
I
V
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
L
GG
F
T
S
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
SNFRFG
E
N
H
A
I
M
G
V
---
A
F
T
W
---
V
----
M
A
L
A
C
A
A
P
P
L
-------
A
-
G
W
S
R
Y
I
P
E
----------
G
L
Q
C-------------------------------
S
C
G
---------------------
I
D
Y
Y
T
L
K
P
E
V
N
N
E
S
-
F
-
V
----------------
I
Y
M
F
V
V
-------
H
F
T
I
P
M
I
I
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
Q
------------
Q
-
Q
ES
A
T
T
----------------
Q
K
A
E
K
E
V
T
R
M
V
I
I
Y
V
I
A
F
L
I
C
W
V
P
Y
A
---------
S
V
A
F
----
Y
------
I
F
T
H
QG
S
C
F
G
P
-
I
----
F
M
---------
T
I
P
A
F
F
A
K
S
-----
A
A
I
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
L
T
T
I
--------
C
C
G
K
N
V
I
F
K
---------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
83.48
19%
-126
- C5 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
-
P
N
F
-
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
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
GW
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
QQESA-------
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
GSDFGPIFM
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
CGKNPLG
D
D
E
A
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
80.70
14%
-154
- C5 -
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
NPD-
L
Y-----
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
I
S
A
G
---------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
78.57
20%
-159
- C5 -
3C9L
13
OPSD_BOVIN
A:
[45-317]
---------------------------------------------------------------
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
SNFRFG
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
ES
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
D
D
E
----------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
77.71
13%
-131
- C5 -
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
GRNTN
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
31
HHSearch
77.28
16%
-150
- C5 -
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
-
Q
ESA
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
GSD---
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
76.35
20%
-144
- C1 -
4KQ7
6
?
A:
[2-374]
---
Q
S
N
M
T
N
E
M
F
D
L
A
K
L
K
S
---------------
G
V
K
N
K
R
I
S
STDPTGGNRDHLE
P
F
K
P
G
E
K
R
I
I
--
A
D
I
K
G
M
--
G
V
I
N
H
I
W
V
T
I
A
P
P
P
P
T
-----
L
S
R
N
D
I
I
I
R
M
Y
-----
W
D
G
N
D
-
Y
P
S
V
E
S
P
I
G
P
F
-
F
G
Q
G
-
W
D
E
R
Y
N
Y
A
S
L
P
L
S
A
G
P
E
N
G
T
----------
G
L
S
C
Y
F
A
M
P
F
E
K
G
--------
A
R
I
E
-
I
---
E
N
Q
S
DRN
I
----
D
A
F
Y
F
Y
V
D
Y
L
E
M
AKLPK
D
M
G
R
F
H
A
W
Y
N
H
N
-----
L
T
E
A
L
P
EGETEWGVT
G
A
Q
K
P
N
TTGERNYVF
M
E
T
Q
G
K
G
H
F
V
G
I
N
Y
Y
V
H
C
PTPMWYGE
G
D
D
M
W
F
I
D
G
E
K
V
P
S
L
I
G
T
G
T
-
E
-
D
F
F
NTAWCPK
E
A
F
S
H
PY
F
G
Y
P
R
V
N
N
DI
G
W
L
G
R
T
H
V
Y
R
F
F
I
E
D
P
I
F
F
E
K
S
L
K
G
T
I
E
H
------------
G
-
S
---------------------
N
N
N
L
T
L
---
D
L
S
T
V
A
Y
W
Y
Q
D
----------------
S
A
V
----
A
------
L
---------
P
-
E
----
A
P
---------
T
-------------
K
A
Q
R
A
P
K
P
F
I
--
N
H
V
D
I
H
R
W
R
D
A
W
--------
R
K
S
K
G
N
K
A
T
LWGNE----------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
75.12
20%
-164
- C5 -
3CAP
4
OPSD_BOVIN
A:
[45-317]
---------------------------------------------------------------
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
GG
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
ES
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
74.81
14%
-138
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
-------------------------------------
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
RTQ
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
74.15
21%
-137
- C5 -
2X72
5
GNAT1_BOVIN (first)
A:
[48-318]
---------------------------------------------------------------
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
GG
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
SN
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
ES
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
QG
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
72.63
16%
-163
- C5 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
--------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
71.44
20%
-169
- C5 -
3EML
8
ENLYS_BPT4
A:
[21-222]
--------------------------------------
S
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
71.27
20%
-139
- C5 -
1LN6
1
OPSD_BOVIN
A:
[45-315]
---------------------------------------------------------------
F
L
--
L
I
M
L
G
FPI
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
MVFGG
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
SNFRFGEN
H
A
I
M
G
V
---
A
F
T
W
---
V
M
A
LA
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
ESATT----------------
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
IFTH
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
V
A
T
--------
T
L
C
C
G
K
N
P
L
---------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
67.71
18%
-173
- C5 -
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
66.55
19%
-165
- C5 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-201]
-------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
63.49
17%
-162
- C5 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
-------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
62.87
26%
-169
- C5 -
4U15
1
ACM3_RAT
A:
[11-160]
---------------------------------------
Q
V
--------------
V
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
G
---
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
-
I
-----
I
-
G
V
I
-
S
M
N
L
F
T
--
T
Y
I
-
I
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
--
L
L
V
I
S
F
D
R
Y
F
S
-
I
T
R
P
L
--------
T
Y
R
A
-
K
---
R
T
T
K
---
R
----
A
G
V
M
I
G
L
A
W
V
-------
I
-
S
F
V
--
L
W
A
P
A
-----
I
L
F
W
Q
Y
--------------------------------
F
V
G
K
R
T
V
P
P
-------------
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
-
T
-
A
----------------
I
A
A
F
Y
M
P
V
--
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
G
------------
G
-
S
---------------------
G
G
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
----
A
V
---------
R
R
A
A
L
I
N
M
V
-----
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
--------
E
A
A
V
N
L
A
K
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
62.22
18%
-159
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-240]
-------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------