@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 : T2R41_HUMAN: (2016-01-14 )
MQAALTAFFVLLFSLLSLLGIAANGFIVLVLGREWLRYGRLLPLDMILISLGASRFCLQLVGTVHNFYYSAQKVEYSGGLGRQFFHLHWHFLNSATFWFCSWLSVLFCVKIANITHSTFLWLKWRFPGWVPWLLLGSVLISFIITLLFFWVNYPVYQEFLIRKFSGNMTYKWNTRIETYYFPSLKLVIWSIPFSVFLVSIMLLINSLRRHTQRMQHNGHSLQDPSTQAHTRALKSLISFLILYALSFLSLIIDAAKFISMQNDFYWPWQIAVYLCISVHPFILIFSNLKLRSVFSQLLLLARGFWVA
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)
-------------------------------M-
Q
A
A
L
T
A
F
F
V
L
L
F
S
L
L
S
L
L
G
IAAN
G
F
I
V
L
V
LG
R
E
W
L
RYGRLL-
P
L
D
M
I
L
I
S
LG
A
S
R
F
C
L
-
Q
L
V
G
---
T
V
H
N
F
Y
Y
S
-
A
Q
K
V
E
YS-GGLG
R
Q
F
F
--------
H
L
H
W
H
F------------LNS
A
T
F
W
F
C
S
W
L
-
S
V
L
F
C
V
K
I
A-------N-ITH
S
T
F
L
W
L
K
--
W
RFP---G
W
V
P
W
L
L
L
G
S
V
L
-------
I
S
F
I
I
T
L
L
F
F
W
-V-N
Y
P
V
Y
---------------------
Q
E
F
L
I
R
KFS--G-N
M
T
Y
K
-------
W
-NT---
R
----
I
-
E
-------------------
T
Y
YFPS
L
K
L
V
I
WSI
P
F
--
S
V
F
L
V
-
S
I
M
L
L
I
N
S
L
R
R
H
----------------
T
Q
R
M
Q
HNGH-----------------------------------------------------------------------------------------------------------------------------------------------------S------------------------------------------------------------------------------------------------------------------------------------------------------LQDPS
T
Q
------
A
H
T
R
A
L
K
S
L
I
S
F
L
I
L
Y
A
L
S
F
-
L
S
L
I
------
I
-
D
-
A
----
A
K
---
F
-
I
------------S------M-------QNDFY
W
P
W
Q
I
A
V
Y
L
C
---------ISV------H
P
F
I
L
-
I
-FSN
L
--
K
L
R
S
V
F
-
S
----
Q
L
L
L
L
ARGFWVA------------------
34
Fugue
82.27
14%
-123
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFSNKTGVVRSPFEAPQYYL
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
KTSAV
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
DEA
S
T
T
V
S
K
TETSQVAPA
39
Fugue
82.08
16%
-166
- C1 -
4X2Z
1
A:
[9-309]
------------------------------Q
K
-
T
I
Y
L
T
E
D
G
V
K
Y
R
S
I
V
L
K
P
G
D
S
L
G
Q
F
G
Q
V
Y
A
K
N
K
I
V
F
T
A
D
D
V
-
E
D
K
E
I
L
Y
V
P
T
T
D
K
S
I
L
-
E
Y
Y
G
LD
A
Q
K
Y
V
I
Y
L
Q
-
T
L
A
Q
K
W
N
-
V
Q
Y
R
D
N
F
L
--------
I
L
E
W
R
D
------------
G
N
---
C
W
I
S
S
A
I
-
V
L
L
Q
A
A
K
I
R
-------
F
-
K
G
F
L
T
E
A
W
A
K
--
L
L
G
G
DP
T
D
F
V
A
W
C
Y
A
S
C
T
A
KVGDFSD
A
N
W
L
L
A
N
L
A
E
H
-
F
-
D
A
D
Y
T
---------------------
N
A
F
L
K
K
R
V
S
--
C
-
N
C
-----------------
G
----
I
-
K
-------------------
S
Y
E
L
R
G
L
E
A
C
I
Q
P
V
R
A
--
T
----------------
N
----------------
L
L
H
F
K
T
Q
Y
S
-----------------------------------------------------------------------------------------------------------------------------------------------------
N
------------------------------------------------------------------------------------------------------------------------------------------------------
C
P
T
C
G
A
N
------
N
T
D
E
V
I
E
A
S
L
P
Y
L
L
L
F
A
T
D
G
-
P
A
T
V
D
C
D
EDA
V
-
G
-
T
----
V
V
---
F
-
V
------------
G
------
S
-------
T
N
S
G
H
C
Y
T
Q
A
A
G
Q
A
F
D
NLAKD
R
K
F
G
K
K
------
S
P
Y
I
T
-
A
M
Y
T
R
F
--
A
F
K
N
E
T
-
S
----------------------------------
41
Fugue
80.04
19%
-165
- C2 -
4QT9
2
?
A:
[19-432]
--------------------------LS
D
D
A
L
M
D
T
V
Q
R
R
T
F
L
Y
F
W
E
-----
G
A
E
P
N
S
G
L
A
P
---
E
R
Y
H
V
D
G
V
Y
P
-
Q
N
D
A
N
V
V
T
S
G
G
S
G
F
G
I
M
A
I
L
A
---
G
I
D
R
G
Y
V
T
-
R
E
E
G
L
A
R
M
E
R
I
V
S
F
L
E
K
ADRFHGA
Y
P
H
W
W
Y
GDTGKVKPFGQK
D
N
G
G
D
L
V
E
T
A
F
L
M
Q
G
L
L
A
V
H
Q
Y
Y
A
NGN
D
K
E
-
K
A
I
A
Q
R
I
D
R
L
--
W
R
E
V
---
D
W
D
W
Y
R
K
G
G
Q
N
V
-------
L
Y
W
H
W
S
P
T
Y
G
W
-
E
M
D
F
P
I
H
G
YNEC
M
I
M
Y
I
L
A
A
A
SPTHGVP
A
A
V
Y
H
D
G
W
A
--
Q
-
N
G
A
I
V
-------
S
-
P
H
---
K
----
V
-
E
GIELHLRYQGTEAGP
L
F
W
A
Q
Y
S
F
L
G
L
D
P
V
G
L
K
D
E
Y
CP
S
Y
F
H
E
M
R
N
L
T
L
V
N
R
A
Y
C
I
R
NPKHYKGFGPD
C
W
G
L
T
A
S
Y
S
V
D
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------
A
------------------------------------------------------------------------------------------------------------------------------------------------------
A
H
S
P
N
E
Q
DDKGVI
S
P
T
A
A
L
S
S
I
V
-
Y
T
P
E
Y
S
L
Q
V
M
R
H
L
Y
------
N
M
G
-
D
----
K
V
---
F
-
G
------------
P
------
F
GFYDAFS
E
T
D
N
W
Y
P
---
Q
R
Y
L
A
---------
I
D
Q
------
G
P
I
A
V
M
I
-
E
N
Y
R
TG
L
L
W
K
L
F
M
S
H
P
D
V
Q
A
G
L
T
K
L
G
F
N
T
N
------------------
12
HHSearch
78.47
14%
-135
- C3 -
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
TGT-
W
------------------------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
K
F
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
QDN---------
L
------
I
-------
R
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
---------
S
G
F
------
N
P
L
I
Y
-
C
--
R
S
P
--
D
F
R
I
A
F
-
Q
----
E
L
L
C
L
-------------------------
22
HHSearch
78.28
13%
-128
- C3 -
2Z73
5
OPSD_TODPA
A:
[34-333]
-------------------------------------
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
RD
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
GPLE--------
W
------
V
-------
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
---------
A
I
H
------
N
P
M
I
Y
-
S
-
V
S
H
P
--
K
F
R
E
A
I
-
S
----
Q
T
F
P
W
V
L
T
C
C
Q
F
------------------
20
HHSearch
76.70
13%
-131
- C3 -
1U19
14
OPSD_BOVIN
A:
[42-327]
---------------------------------------
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
YT-
P
HEET
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
L
G
D
------------------
17
HHSearch
76.46
14%
-142
- C3 -
3EML
13
ENLYS_BPT4
A:
[22-471]
--------------------------------------
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
GEGQVAC
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
GLRL
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
TGTW
D
------------------------------------------------------------------------------------------------------------------------------------------------------
A
Y
R
S
T
L
Q
------
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
-
L
P
L
H
------
I
-
I
N
C
----
F
T
---
F
-
F
CPDCS-------
H
------
A
-------
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
---------
S
V
V
------
N
P
F
I
Y
-
A
-
Y
R
I
R
--
E
F
R
Q
T
F
-
R
----
K
I
I
R
S
H
V
L
R
Q
--------------------
18
HHSearch
76.19
12%
-129
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
---------------------------------------
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
---
R
M
R
T
-
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
-
A
A
F
N
---
T
V
V
N
F
T
Y
A
-
V
H
N
E
W
Y
Y
-
G
L
F
Y
C
K
F
H
--------
N
F
F
P
I
A
------------
A
V
F
A
S
I
Y
S
M
T
A
V
-
A
F
D
R
Y
M
A
I
I
-----------
H
P
L
Q
P
R
L
S
-----
A
---
T
A
T
K
V
V
I
C
V
I
W
V
-------
L
A
L
L
L
A
F
P
Q
G
Y
-
Y
-
S
T
-----------------------------
T
E
T
M
--
P
-
S
R
V
V
C
-------
M
I
E
W
PEH
P
NKI-
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
G
D
S
S
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
Y
H
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
DLYLKK
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
------------------
13
HHSearch
76.08
15%
-137
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-496]
-------------------------------------
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
TGTWD
A
Y
G
S
K
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
------------------
11
HHSearch
74.84
13%
-141
- C3 -
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
TGTW-------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
L
H
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
CKN---------
C
------
C
-------
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
-------------------------
15
HHSearch
73.41
13%
-138
- C3 -
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
GTW-------------------------------------------------------------------------------------------------------------------------------------
D
A
Y
G
V
P
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
CQTC--------
H
------
V
-------
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
-------------------------
19
HHSearch
73.37
11%
-133
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[63-495]
-------------------------------------
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
EGLRL
K
I
Y
K
D
TE
G
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
TGTW-
D
------------------------------------------------------------------------------------------------------------------------------------------------------
A
Y
A
S
R
S
S
------
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
-
A
P
L
F
------
I
-
L
L
L
----
L
D
---
V
-
G
C-----------
K
VKTC--
D
-------
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
---------
S
G
T
------
N
P
I
I
Y
-
T
-
L
T
N
K
--
E
M
R
R
A
F
-
I
----
R
I
M
G
R
P
L
-----------------------
21
HHSearch
71.78
15%
-144
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
-------------------------------------
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
---
V
G
R
S
-
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
-
A
L
T
L
---
P
I
-
W
A
A
S
K
--
V
N
G
W
I
F
-
G
T
F
L
C
K
V
V
--------
S
L
L
K
E
V
------------
N
F
Y
S
G
I
L
L
L
A
C
I
-
S
V
D
R
Y
L
A
I
V
-----------
H
A
T
R
T
L
-
T
--
Q
-
K
R
---
H
L
V
K
F
V
C
L
G
C
W
G
-------
L
S
M
N
L
S
L
P
F
F
L
-
F
-
R
Q
A
----------------------------
Y
H
P
N
--
N
-
S
S
P
V
C
-------
Y
-
E
V
LGN
D
TAK-
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
-----------------------
10
HHSearch
66.23
11%
-125
- C3 -
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
TGTW--
D
A
Y
P
P
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
CAP---------
C
------
I
-------
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
--------------------------
3
PsiBlast_PDB
35.02
38%
72
- C4 -
3AHG
1
?
A:
[539-577]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
A
T
V
R
E
I
P
W
--
R
K
P
I
S
-
S
V
N
L
L
V
S
S
---
H
----------------
V
W
R
Q
D
H
N
G
F
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
H
Q
D
P
G
V
T
------
S
L
L
I
N
K
T
F
N
N
D
H
V
T
N
I
Y
F
A
T
-
D
A
N
M
------
L
-
L
-
A
----
I
S
---
E
-
K
------------
C
------
F
-------
K
S
T
N
K
I
N
A
I
F
A
G
K
Q
P
---------
A
P
T
------
W
V
T
L
D
-
E
-
A
R
A
E
--
L
E
A
G
A
A
-
E
----
W
K
W
A
S
N
A
E
N
N
D
E
------------------
30
HHSearch
35.01
5%
-52
- C3 -
2Z73
4
OPSD_TODPA
A:
[255-337]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GPL-
E
W
---
V
T
P
------------
Y
------
A
-------
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
---------
P
M
I
------
Y
S
V
S
H
-
P
-
K
F
R
E
--
A
I
S
Q
T
F
-
P
----
W
V
L
T
C
C
Q
F
D
D
K
E
------------------
9
PsiBlast_PDB
34.65
38%
64
- C4 -
3AHF
-
?
A:
[539-577]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
A
T
V
R
E
I
P
W
--
R
K
P
I
S
-
S
V
N
L
L
V
S
S
---
H
----------------
V
W
R
Q
D
H
N
G
F
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
H
Q
D
P
G
V
T
------
S
L
L
I
N
K
T
F
N
N
D
H
V
T
N
I
Y
F
A
T
-
D
A
N
M
------
L
-
L
-
A
----
I
S
---
E
-
K
------------
C
------
F
-------
K
S
T
N
K
I
N
A
I
F
A
G
K
Q
P
---------
A
P
T
------
W
V
T
L
D
-
E
-
A
R
A
E
--
L
E
A
G
A
A
-
E
----
W
K
W
A
S
N
A
E
N
N
D
E
------------------
7
PsiBlast_PDB
34.43
38%
73
- C4 -
3AHD
-
?
A:
[539-577]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
A
T
V
R
E
I
P
W
--
R
K
P
I
S
-
S
V
N
L
L
V
S
S
---
H
----------------
V
W
R
Q
D
H
N
G
F
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
H
Q
D
P
G
V
T
------
S
L
L
I
N
K
T
F
N
N
D
H
V
T
N
I
Y
F
A
T
-
D
A
N
M
------
L
-
L
-
A
----
I
S
---
E
-
K
------------
C
------
F
-------
K
S
T
N
K
I
N
A
I
F
A
G
K
Q
P
---------
A
P
T
------
W
V
T
L
D
-
E
-
A
R
A
E
--
L
E
A
G
A
A
-
E
----
W
K
W
A
S
N
A
E
N
N
D
E
------------------
2
PsiBlast_PDB
34.30
38%
49
- C4 -
3AI7
-
?
A:
[519-557]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
A
T
V
R
E
I
P
W
--
R
K
P
I
A
-
S
M
N
L
L
V
S
S
---
H
----------------
V
W
R
Q
D
H
N
G
F
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
H
Q
D
P
G
V
T
------
S
V
L
L
N
K
C
F
H
N
D
H
V
I
G
I
Y
F
A
T
-
D
A
N
M
------
L
-
L
-
A
----
I
A
---
E
-
K
------------
C
------
Y
-------
K
S
T
N
K
I
N
A
I
I
A
G
K
Q
P
---------
A
A
T
------
W
L
T
L
D
-
E
-
A
R
A
E
--
L
E
K
G
A
A
-
A
----
W
D
W
A
S
T
A
K
N
N
D
E
------------------
8
PsiBlast_PDB
34.29
38%
75
* C4 *
3AHE
1
?
A:
[539-577]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
A
T
V
R
E
I
P
W
--
R
K
P
I
S
-
S
V
N
L
L
V
S
S
---
H
----------------
V
W
R
Q
D
H
N
G
F
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
H
Q
D
P
G
V
T
------
S
L
L
I
N
K
T
F
N
N
D
H
V
T
N
I
Y
F
A
T
-
D
A
N
M
------
L
-
L
-
A
----
I
S
---
E
-
K
------------
C
------
F
-------
K
S
T
N
K
I
N
A
I
F
A
G
K
Q
P
---------
A
P
T
------
W
V
T
L
D
-
E
-
A
R
A
E
--
L
E
A
G
A
A
-
E
----
W
K
W
A
S
N
A
E
N
N
D
E
------------------