@TOME V2.3
(Nov 2016)
Ref.
-
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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 : OR5K2_HUMAN: (2016-01-13 )
MVEENHTMKNEFILTGFTDHPELKTLLFVVFFAIYLITVVGNISLVALIFTHCRLHTPMYIFLGNLALVDSCCACAITPKMLENFFSEGKRISLYECAVQFYFLCTVETADCFLLAAVAYDRYVAICNPLQYHIMMSKKLCIQMTTGAFIAGNLHSMIHVGLVFRLVFCGLNHINHFYCDTLPLYRLSCVDPFINELVLFIFSGSVQVFTIGSVLISYLYILLTIFRMKSKEGRAKAFSTCASHFSSVSLFYGSIFFLYIRPNLLEEGGNDIPAAILFTIVVPLLNPFIYSLRNKEVISVLRKILLKIKSQGSVNK
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)
------------------------------------------------------------------------MVEENHTMKN
E
F
I
L
TGFT-D
H
P
E
L
K
T
----------------
L
L
F
V
V
F
F
A
-----------
I
Y
L
I
T
V
VG-
N
I
S
L
V
A
L
I
F
----
T
H
CR------LHTP
M
Y
I
---
F
LG
N
L
A
--
L
V
D
S
C
---
C
ACAI-
T
P
-
K
M
L
E
N
F
--
F
-SEG
K
R
I
S
L
Y
E
C
A
V
Q
-
F
Y
F
--
L
---
C
T
VETA
D
C
F
L
L
-
A
A
V
A
YD
R
Y
V
A
-ICN
P
L
Q
Y
H
I
M
---MS
K
K
--
L
C
I
Q
MTTG
A
F
------------
I
A
G
N
L
H
S
M
I
H
V
G
L
V
F
R
L
V
F
C
G
L
--
N
H
I
N
H
F
YCDTLP
L
-
Y
R
L
S
C
V
-------
D
P
F
I
-
N
-----
E
-
L
V
L
--
F
IF-SG
S
V
---------
Q
V
F
T
I
G
S
V
-------
L
I
S
Y
L
Y
I
L
L
T
I
-----------
F
R
MKSK-----------E--------------------G
R
---------------
A
K
A
F
S
T
C
A
S
H
F
S
S
V
S
L
F
Y
G
S
I
-------
F
F
------
L
-
Y
IR
P
N
L
--
L
------E---E---GG-N---D--
I
P
A
A
I
L
F
T
I
V
V
-
P
L
L
N
P
F
I
Y
S
LR
N
K
E
V
I
S
V
L
R
K
I
L
L
K
I
KSQGSVNK-----------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
85.98
16%
-123
- 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
S
PFEAPQYYLAE
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
VH
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
---
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
S
T
T
V
S
KTETS
Q
V
A
P
A-------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
82.47
16%
-107
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------------------------------------------------------------MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
----------------
M
L
A
A
Y
M
F
L
-----------
L
I
M
L
G
F
P
I
-
N
F
L
T
L
Y
V
T
V
----
Q
H
K
K
------
L
R
T
P
L
N
Y
---
I
L
L
N
L
A
--
V
A
D
L
F
---
M
V
F
G
G
-
F
T
-
T
T
L
Y
T
S
--
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
-
G
F
F
--
A
---
T
L
G
G
E
I
A
L
W
S
L
-
V
V
L
A
I
E
R
Y
V
V
-
V
C
K
P
M
---------------------
S
N
F
------------
R
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
--
A
P
P
L
V
G
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
I
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
KEAAAQQQESA
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
D
E
A
S
T
T
V
S
K
TETSQVAPA-------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
81.50
15%
-134
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-335]
------------------------------------------------------------------------------------------------
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
D
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
79.78
16%
-138
- C2 -
2KS9
1
NK1R_HUMAN
A:
[35-325]
-------------------------------------------------------------------------------------------------------------------
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
-
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
D
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
75.56
14%
-125
- 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
29
HHSearch
73.72
17%
-118
- C2 -
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
RTQVIQ
E
---
S
C
E
R
R
N
N
I
---
G
R
A
L
D
A
T
E
I
L
G
F
L
H
-
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
72.18
14%
-120
- 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
D
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
66.98
21%
-147
- C2 -
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
L
K
P
V
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
64.49
15%
-140
- C1 -
4KPP
4
?
A:
[2-396]
DF
T
K
E
K
F
Q
L
L
A
I
S
S
L
T
L
P
W
L
I
S
L
A
F
N
Y
H
H
P
A
L
T
Q
T
L
L
S
G
L
A
V
V
S
A
S
F
L
I
S
W
A
A
E
T
A
E
M
D
VPRSFS
L
A
I
V
A
L
L
A
V
L
P
E
Y
A
V
D
G
Y
F
A
W
K
A
G
S
-
V
G
G
E
Y
V
H
----------------
Y
A
T
A
N
M
T
G
-----------
A
N
R
L
L
I
G
I
-
G
W
S
L
V
A
F
I
A
----
F
R
T
L
------
K
S
K
E
V
E
L
D
DG
I
R
L
E
I
F
--
F
L
F
L
A
---
T
L
Y
A
F
-
T
L
-
P
L
K
G
H
I
S
P
F
-
D
A
L
V
F
V
S
L
Y
A
I
Y
I
Y
-
L
S
T
--
K
---
A
E
R
E
E
V
E
V
G
G
V
-
P
A
Y
L
C
S
L
K
T
E
-
T
R
R
L
S
V
V
V
L
F
---
L
F
A
G
--
F
T
I
L
M
S
V
E
A
F
------------
S
E
G
L
L
E
T
A
R
I
A
G
I
D
-
E
F
L
A
V
Q
W
--
I
A
P
L
A
S
E
S
P
E
L
I
V
-
A
I
Y
F
V
R
-------
R
F
R
V
-
S
-----
A
-
S
M
N
--
A
L
I
-
S
S
K
V
---------
N
Q
W
T
---
L
-------
L
I
G
T
I
A
I
I
Y
S
I
S
A
FKL
Q
S
----
L
P
L
D
A
R
-----------
Q
--------------------
S
E
---------------
E
V
L
L
T
A
A
Q
S
L
F
A
V
A
I
L
L
D
L
K
I
S
W
K
E
A
S
A
L
F
------
L
-
L
F
I
V
Q
L
--
L
------
F
---
P
---
G
------
V
--
E
V
R
Y
I
I
S
A
I
Y
I
-
I
L
S
L
P
I
L
F
A
-
K
R
K
E
I
V
E
S
F
R
T
V
K
R
L
I
S
L
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
63.13
17%
-168
- C2 -
3EML
8
ENLYS_BPT4
A:
[23-221]
------------------------------------------------------------------------------------------------------------------
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
L
K
P
V
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
61.45
19%
-81
* C1 *
4OWT
-
INT3_HUMAN
A:
[1-466]
--------------------------------------GGRL
L
L
S
T
SLDAKD
E
L
E
E
R
L
E
R
C
M
S
I
V
T
S
M
T
AGV
S
E
R
E
A
N
D
A
L
N
A
Y
V
C
K
G
L
P
-
Q
H
E
E
I
C
L
----------------
G
L
F
T
L
I
L
T
E
PAQ
A
Q
K
C
Y
R
D
L
A
L
V
S
R
D
G
M
N
I
V
L
N
K
I
N
Q
I
L
M
E
K
Y
L
K
------
L
Q
D
T
C
R
T
---
Q
L
V
W
L
V
R
E
L
V
K
S
G
VLG
A
D
G
V
C
M
T
F
M
K
Q
I
A
G
G
--
D
-
V
T
A
K
N
I
W
L
A
E
S
V
L
D
-
I
L
T
E
Q
R
---
E
W
V
L
K
S
S
I
L
I
A
M
A
V
Y
T
Y
L
R
L
I
V
D
H
H
G
T
A
Q
L
Q
A
L
---
R
Q
K
E
V
D
F
C
I
S
L
L
R
E
R
F
M
E
C
L
MIG
R
D
L
V
R
L
L
Q
N
V
A
R
I
P
E
F
E
L
L
W
K
D
I
I
H
N
P
--
Q
A
L
S
P
Q
F
T
G
I
L
Q
L
-
L
Q
S
R
T
S
-------
R
K
F
L
-
A
C
R
L
T
P
D
M
E
T
K
--
L
L
F
M
T
S
R
V
RFGQQ
K
R
Y
Q
D
W
F
Q
R
Q
Y
L
STPDS
Q
S
L
R
C
D
L
I
R
Y
I
C
G
-----------
V
V
H
P
S
N
-----------
E
--------------------
V
L
S
SDILP
R
W
A
I
I
G
W
L
L
T
T
C
T
S
N
V
A
A
S
N
A
K
L
A
L
F
Y
D
W
L
-------
F
F
SPDKDS
I
M
N
I
E
P
A
I
--
L
------
V
M
--
H
---
H
S
M
K
---
P
--
H
P
A
I
T
A
T
L
L
D
F
M
C
R
I
I
P
N
F
Y
P
P
L
E
G
H
V
R
Q
G
V
F
S
S
L
N
H
I
V
E
K
R
V
L
A
H
L
A
P
L
F
D
NPKLD
K
E
L
R
A
M
L
R
E
K
FPEFCS--------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
61.44
19%
-148
- 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
K
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
60.94
19%
-139
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
-------------------------------------------------------------------------------------------------------------------
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
V
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
60.11
18%
-151
- C2 -
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
L
K
P
V
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
59.98
26%
-139
- C2 -
4XEE
1
?
A:
[32-167]
------------------------------------------------------------------------------------------------
K
V
----------------
L
V
T
A
I
Y
L
A
-----------
L
F
V
V
G
T
V
G
-
N
---
S
V
T
L
F
----
T
L
A
R
K-------
S
T
V
H
Y
---
H
L
G
S
L
A
--
L
S
D
L
L
---
I
L
L
L
A
-
M
P
-
V
E
L
Y
N
F
--
I
-
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
--
L
R
D
A
C
T
Y
A
T
A
--
L
N
V
-
A
S
L
S
V
E
R
Y
L
A
-
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
--
R
T
K
K
F
I
S
A
I
W
------------
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
R
S
A
D
--
G
T
H
P
G
G
L
V
C
T
P
I
V
-
D
T
A
T
V
K
-------
V
V
I
Q
-
V
-----
N
-
T
F
M
--
S
F
L
-
F
P
M
L
---------
V
I
S
I
L
N
T
V
-------
I
A
N
K
L
T
V
M
V
P
G
-----------
R
V
Q
A
L
R
-----------
H
--------------------
G
V
---------------
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
-------
L
M
------
F
-
C
Y
I
S
D
E
--
Q
------
W
---
T
---
T
F
-
L
---
F
--
D
F
Y
H
Y
F
Y
M
L
T
N
-
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
N
I
F
E
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
59.55
23%
-139
- C2 -
4IB4
8
5HT2B_HUMAN (first)
A:
[43-182]
-----------------------------------------------------------------------------------------------------------------------------------------
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
Q
A
N
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
ET-
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
T
R
N
A
Y
I
Q
K
Y
L
Q
T
I
S
N
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
58.08
26%
-148
- C2 -
4XES
2
?
A:
[32-167]
------------------------------------------------------------------------------------------------
K
V
----------------
L
V
T
A
I
Y
L
A
-----------
L
F
V
V
G
T
V
G
-
N
---
S
V
T
L
F
----
T
L
A
R
KKSLQ
S
L
Q
S
T
V
H
Y
---
H
L
G
S
L
A
--
L
S
D
L
L
---
I
L
L
L
A
-
M
P
-
V
E
L
Y
N
F
--
I
-
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
--
L
R
D
A
C
T
Y
A
T
A
--
L
N
V
-
A
S
L
S
V
A
R
Y
L
A
-
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
--
R
T
K
K
F
I
S
A
I
W
------------
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
R
S
A
D
--
G
T
H
P
G
G
L
V
C
T
P
I
V
-
D
T
A
T
V
K
-------
V
V
I
Q
-
V
-----
N
-
T
F
M
--
S
F
L
-
F
P
M
L
---------
V
I
S
I
L
N
T
V
-------
I
A
N
K
L
T
V
M
V
P
G
-----------
R
V
Q
A
L
R
-----------
H
--------------------
G
V
---------------
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
-------
L
M
------
F
-
C
Y
I
S
D
E
--
Q
------
W
---
T
---
T
F
-
L
---
F
--
D
F
Y
H
Y
F
Y
M
L
T
N
-
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
N
I
F
E
M
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
57.85
15%
-140
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
------------------------------------------------------------------------------------------------
K
I
----------------
F
L
P
T
I
Y
S
I
-----------
I
F
L
T
G
I
V
G
-
N
G
L
V
I
L
V
M
G
----
Y
Q
K
K
------
L
R
S
M
T
D
K
---
Y
R
L
H
L
S
--
V
A
D
L
L
---
F
V
-
I
T
-
L
P
-
F
W
A
V
D
A
--
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
-
H
V
I
--
Y
---
T
V
N
L
Y
S
S
V
W
I
L
-
A
F
I
S
L
D
R
Y
L
A
-
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
--
A
E
K
V
V
Y
V
G
V
W
------------
I
P
A
L
L
L
T
I
P
D
F
I
F
A
-
N
--
V
S
----
E
A
D
D
R
Y
I
C
D
R
F
Y
P
-
N
D
------------
L
-
W
-
V
-----
V
-
V
F
Q
--
F
Q
H
-
I
M
V
G
---------
L
I
L
P
G
I
V
I
-------
L
S
C
Y
C
I
I
I
S
K
L
-----------
S
H
S
G
S
N
-----------
I
--------------------
F
E
---------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
-------
I
G
------
I
-
G
H
L
L
T
K
--
S
------
P
---
S
---
L
N
-
A
---
A
--
K
S
E
L
D
K
A
I
G
R
N
-
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
57.63
20%
-141
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[63-250]
------------------------------------------------------------------------------------------------
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
Y
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
57.28
26%
-136
- C2 -
4GRV
2
ENLYS_BPT4 (first)
A:
[32-167]
------------------------------------------------------------------------------------------------
K
V
----------------
L
V
T
A
I
Y
L
A
-----------
L
F
V
V
G
T
V
G
-
N
---
S
V
T
L
F
----
T
L
A
R
KS----
L
Q
S
T
V
H
Y
---
H
L
G
S
L
A
--
L
S
D
L
L
---
I
L
L
L
A
-
M
P
-
V
E
L
Y
N
F
--
I
-
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
--
L
R
D
A
C
T
Y
A
T
A
--
L
N
V
-
A
S
L
S
V
A
R
Y
L
A
-
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
--
R
T
K
K
F
I
S
A
I
W
------------
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
R
S
A
D
--
G
T
H
P
G
G
L
V
C
T
P
I
V
-
D
T
A
T
V
K
-------
V
V
I
Q
-
V
-----
N
-
T
F
M
--
S
F
L
-
F
P
M
L
---------
V
I
S
I
L
N
T
V
-------
I
A
N
K
L
T
V
M
V
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
---
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
A
V
R
R
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------