@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 : GPR42_HUMAN: (2016-01-10 )
MDTGPDQSYFSGNHWFVFSVYLLTFLVGLPLNLLALVVFVGKLRCRPVAVDVLLLNLTASDLLLLLFLPFRMVEAANGMHWPLPFILCPLSGFIFFTTIYLTALFLAAVSIERFLSVAHPLWYKTRPRLGQAGLVSVACWLLASAHCSVVYVIEFSGDISHSQGTNGTCYLEFWKDQLAILLPVRLEMAVVLFVVPLIITSYCYSRLVWILGRGGSHRRQRRVAGLVAATLLNFLVCFGPYNVSHVVGYICGESPVWRIYVTLLSTLNSCVDPFVYYFSSSGFQADFHELLRRLCGLWGQWQQESSMELKEQKGGEEQRADRPAERKTSEHSQGCGTGGQVACAEN
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.......320.......330.......340....-------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------MDTGP-------D---------------------QSYFSGN
H
W
F
V
F
S
V
Y
L
L
T
F
L
V
--GL
P
L
N
L
L
A
L
V
V
F
V
G
KLRCR
P
-
V
A
V
D
V
L
L
LNL
T
A
S
D
L
L
L
L
L
-
F
--
L
P
F
R
M
V
E
AANGMH-WPL
P
F
I
LCPLS
G
F
I
F
F
T
T
I
Y
L
T
A
L
F
L
A
A
V
S
I
E
R
F
L
S
V
A
H
P
---
L
W
YKTR---PRLGQ
A
G
L
V
S
V
A
C
W
L
L
A
SAH
C
S
V
V
Y
V
I
E
FSGDISHSQ---GTNG
T
C
Y
L
E
------
F
------W-KD
Q
L
-
A
I
L
L
P
V
R
L
E
M
A
V
V
L
--
F
V
V
P
L
I
I
T
S
Y
C
Y
-------
S
---
R
L
V
------------------------------------------
W
I
L-------GR--------GG----
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
Q
---------
R
R
V
A
G
L
V
A
A
T
L
L
N
F
L
V
CFGPY
N
V
---------
S
------
H
V
V
G
Y
---ICG------------E---S------------
P
V
W
-----
R
------
I
Y
--
V
------
T
L
-----
L
S
T
L
---
N
S
C
V
---
D
P
F
V
Y
Y
FSSSGF
Q
A
D
F
H
E
L
L
R
R
L
C
G
L
W
GQ----WQQE
S
S
M
E
L
K
E
QKGG
E
E
Q
RADRPAERKTSEHSQGCGTGG
Q
V
A
CAEN-------------
23
HHSearch
87.42
22%
-140
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
---------------------------------------------------------
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAYPP
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
E
---------
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
---------
M
------
V
L
I
N
T
---
F
C
A
------------
P
CI-
P
------------
N
T
V
-----
W
------
T
I
--
G
------
Y
W
-----
L
C
Y
I
---
N
S
T
I
---
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
-----------------------------------------------------------------------
9
PsiBlast_PDB
87.05
23%
-153
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[125-406]
----------------------------------------------------------
I
T
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
LL-------------------------------------------------------------
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
IDR---------
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
------------------------------------------------------------------------
3
PsiBlast_PDB
86.93
25%
-168
- C2 -
5C1M
7
?
A:
[20-296]
----------------------------------------------------------
I
M
A
L
Y
S
I
V
C
V
V
--
G
L
F
G
N
F
L
V
M
Y
V
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
V
N
Y
L
M
G
T
--
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
----
P
R
--
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
---
I
G
L
P
V
M
F
M
A
T
T
K
Y
R
Q
---
G
S
I
D
-
C
T
L
T
------
F
S
H
P
T
W
Y
W
-
E
N
L
L
-
K
I
C
V
------
F
I
F
A
--
F
I
M
P
V
L
I
I
T
V
C
Y
-------
G
---
L
M
I
------------------------------------------
L
R
L
K
S
VRMLS
G
S
--------
K
E
----
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
N
L
---------
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
---------
Y
------
V
I
I
K
A
---
L
I
T
I
P
ET
T
F
------
Q
---
T
------------
V
S
W
-----
H
------
F
C
--
I
------
A
L
-----
G
Y
T
----
N
S
C
L
---
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
----------------------------------------------------------------------------
4
PsiBlast_PDB
86.45
22%
-156
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[51-382]
--------------------------------------------------------
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
Y
D
T
------
T
------
S
-
D
E
Y
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDI----
V
C
-------
P
L
--------
C
G
----
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
Q
F
E
E
V
EE
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
L
A
G
D
T
F
R
R
R
-----------------------------------------------------------------------------
42
Fugue
86.11
21%
-112
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFS
N
K
T
G
V
VRSPFEA
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
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
AAAQQQES
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
AV
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
T
E
T
S
Q
V
A
P
A
-------------------------
5
PsiBlast_PDB
85.87
22%
-159
- C2 -
4XNW
2
RUBR_CLOPA
A:
[51-382]
--------------------------------------------------------
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
---
L
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
Y
D
T
------
T
------
S
-
D
E
Y
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDD
W
V
C
-------
P
L
--------
C
G
----
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
Q
F
E
E
V
EE
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
L
A
G
D
T
F
R
R
R
-----------------------------------------------------------------------------
44
Fugue
85.85
20%
-115
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
--------------
M
N
G
T
E
-------
G
PNFYVPFSNKTGVVRSPFEAP
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
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
ASAT
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
AVY
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
K
T
E
T
S
Q
V
A
P
A
--------------------------
10
PsiBlast_PDB
85.40
23%
-151
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[125-406]
----------------------------------------------------------
I
T
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
IDR---------
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
------------------------------------------------------------------------
8
PsiBlast_PDB
85.21
23%
-156
- C2 -
4N6H
22
OPRD_HUMAN
A:
[128-414]
----------------------------------------------------------
I
T
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
IDR---------
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
P
C
G
-------------------------------------------------------------------
2
PsiBlast_PDB
84.69
26%
-164
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[128-405]
----------------------------------------------------------
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
PQD
Y
------
W
-
G
P
V
F
-
A
I
C
I
------
F
L
F
S
--
F
I
V
P
V
L
V
I
S
V
C
Y
-------
S
---
L
M
I
------------------------------------------
R
R
L
RGVRLLS
G
S
--------
R
E
----
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------
30
HHSearch
84.63
23%
-153
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
----------------------------------------------------------
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
T
GTWDAYGVP
L
R
E
---------
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
---------
T
------
H
V
L
N
T
---
H
C
Q
------------
T
CHV
S
------------
P
E
L
-----
Y
------
S
A
--
T
------
T
W
-----
L
G
Y
V
---
N
S
A
L
---
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
----------------------------------------------------------------------
41
Fugue
83.51
20%
-118
- C2 -
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
Y
D
T
------
T
------
S
-
D
E
Y
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
------
N
---------
G
------------
V
---
N
------------
P
G
T
-----
D
------
F
K
--
D
------
I
V
-----
C
P
L
C
---
G
V
G
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
7
PsiBlast_PDB
81.15
25%
-166
- C2 -
4XT3
2
US28_HCMVA
A:
[47-314]
-------------------------------------------------------------
L
Y
G
V
V
F
L
F
--
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
--
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
M
Q
Y
L
L
D
--
H
----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
------
V
Y
M
R
Y
R
---
P
-
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
-----
V
I
I
A
I
P
H
F
M
V
V
T
K
K
D
---
N
Q
C
M
T
D
Y
------------------
D
Y
L
-
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-------
Y
---
R
I
S
------------------------------------------
R
I
V
-------
A
V
--------
S
Q
----
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
G
---------
R
I
V
R
V
L
I
A
V
V
L
V
-
F
I
I
F
W
L
P
Y
H
L
---------
T
L
F
V
D
T
L
K
L
L
K
W
---
I
S
S
------------
S
---
C
------------
E
F
E
-----
R
S
L
K
R
A
L
I
L
--
T
------
E
S
-----
L
A
F
C
---
H
C
C
L
---
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
----------------------------------------------------------------------
24
HHSearch
80.61
16%
-141
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-337]
------------------------------------------------------
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
------------
L
EWV
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
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
----------------------------------------
26
HHSearch
80.29
18%
-142
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
---------------------------------------------------------
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTWDAYKF
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
LI-
R
------------
K
E
V
-----
Y
------
I
L
--
L
------
N
W
-----
I
G
Y
V
---
N
S
G
F
---
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
----------------------------------------------------------------------
21
HHSearch
79.02
22%
-145
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-497]
-----------------------------------------------------
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
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
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
F
---
H
C
C
L
---
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
----
F
Q
---------------------------------------------------------
32
HHSearch
78.97
26%
-132
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
------------------------------------------------------
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
R
------------
T
---
Q
VIQE
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
--------------------------------------------------------------------
12
PsiBlast_PDB
78.76
27%
-119
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[38-320]
------------------------------------------------------
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
R
T
------
Q
V
I
Q
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
--------------------------------------------------------------------
25
HHSearch
78.42
20%
-147
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
----------------------------------------------------------
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAYLH
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
E
---------
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
---------
F
------
F
M
V
I
A
---
F
C
K
------------
N
CC-
N
------------
E
H
L
-----
H
------
M
F
--
T
------
I
W
-----
L
G
Y
I
---
N
S
T
L
---
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
----------------------------------------------------------------------
6
PsiBlast_PDB
78.09
25%
-168
- C2 -
4XT1
13
US28_HCMVA
A:
[47-314]
-------------------------------------------------------------
L
Y
G
V
V
F
L
F
--
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
--
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
M
Q
Y
L
L
D
--------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
------
V
Y
M
R
Y
R
---
P
-
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
-----
V
I
I
A
I
P
H
F
M
V
V
T
K
K
D
---
N
Q
C
M
T
D
Y
------------------
D
Y
L
-
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-------
Y
---
R
I
S
------------------------------------------
R
I
V
-------
A
V
--------
S
Q
----
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
G
---------
R
I
V
R
V
L
I
A
V
V
L
V
-
F
I
I
F
W
L
P
Y
H
L
---------
T
L
F
V
D
T
L
K
L
L
K
W
---
I
S
S
------------
S
---
C
------------
E
F
E
-----
R
S
L
K
R
A
L
I
L
--
T
------
E
S
-----
L
A
F
C
---
H
C
C
L
---
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
--------------------------------------------------------------------