@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 : OR3A4_HUMAN: (2016-01-13 )
MDLGNSGNDSVVTKFVLLGLTETAALQPILFVIFLLAYVTTIGGTLSILAAILMETKLHSPMYFFLGNLSLPDVGCVSVTVPAMLSHFISNDRSIPYKACLSELFFFHLLAGADCFLLTIMAYDRYLAICQSLTYSSRMSWGIQQALVGMSCVFSFTNALTQTVALSPLNFCGPNVINHFYCDLPQPFQLSCSSVHLNGQLLFVAAAFMGVAPLVLITVSYAHVAAAVLRIRSAEGRKKAFSTCSSHLTVVGIFYGTGVFSYTRLGSVESSDKDKGIGILNTVISPMLNPLIYWTSLLDVGCISHCSSDAGVSPGPPVQSSLCCLQFTALLSPPPGWGGLSPLNSHGL
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)
--------MDLGNSG
N
D
S
V
V
T
K
F
V
LLG---LT
E
T
A
A
L
Q
P
I
L
F
V
I
F
L
L
A
Y
V
T
TIG
G
T
L
S
---
I
L
A
A
I
L
M
E
--TKLHS
P
M
Y
F
F
LGNLSLPDV
G
C
V
S
V
T
-
V
P
-
A
M
L
S
H
F
I
-SNDRSI
P
Y
K
A
C
L
S
E
L
F
F
F
H
L
L
AG
A
D
C
F
L
L
T
I
M
A
Y
D
R
Y
L
A
I
---
C
Q
SL
T
Y
S
S
R
---
M
S
W
G
I
Q
Q
A
L
V
G
M
S
C
V
F
S
F
T
N
A
L
-----
T
Q
T
V
A-LSPLNFC
G
P
N
V
I
N
H
F
YCDLPQP
F
Q
L
S
C
-------
S
-------
S
V
--
H
LNGQ
L
L
F
V
A
-
A
A
F
MG--VA
P
L
V
L
I
T
V
S
Y
A
H
V
A
A
A
V
L
R
I
RS-------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------EG----
R
K
K
A
F
S
T
C
SS
H
L
T
V
V
G
I
F
YGTGV
F
S
Y
T
RLGSV------------E------------SSDKDK
G
I
G
I
L
N
T
V
I
S
P
M
L
-------
N
P
L
I
Y
W
T
S
L
L
D
V
G
C
I
S
-----HCSSDAGVSPGP
P
V
Q
S
S
L
C
C
L
Q
F
T
A
LLSPPPGWGGLSPLNSHGL--------------
24
HHSearch
94.07
16%
-121
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-476]
------------------------------------
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
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
NL----------
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
----------------------------------------------------
23
HHSearch
91.74
19%
-116
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
---------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
---
V
L
Y
A
V
R
S
E
--
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
-
M
N
I
L
Y
L
L
-
M
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
---
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
-----
P
I
L
G
--
W
N
H
--------
R
R
E
D
K
C
E
T
D
F
Y
--------------------
D
-----
V
T
W
F
K
V
M
T
-
A
I
I
N
F
--
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
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
NC----------
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
----------------------------------------------------
21
HHSearch
89.41
16%
-124
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
--------------------------------------
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
---
V
M
V
S
I
K
V
N
--
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
-
L
Y
T
L
Y
T
V
-
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
---
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
-----
P
A
I
L
F
-
W
Q
F
I
V
G
V
R
--
T
V
E
D
G
E
C
Y
I
Q
F
F
-------------------------
S
N
A
A
V
T
F
G
T
-
A
I
A
A
F
--
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
F
E
M
L
R
I
D
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
PC----------
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
-----------------------------------------------------
29
HHSearch
85.72
16%
-119
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-465]
-------------------------------------
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
DV
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
C
PDCS--------
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
-----------------------------------------------
39
Fugue
85.02
17%
-114
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PN
F
Y
V
P
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
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
TSAVY
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
--------------------------
41
Fugue
84.98
17%
-96
- C3 -
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
MF
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
40
Fugue
84.15
17%
-104
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PN
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
QYY
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
---
L
Y
V
T
V
Q
H
---
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
-
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
---
C
K
P
M
---
S
N
---
F
R
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
-----
A
A
P
P
L
-
V
G
W
S
R
Y
------------
I
P
E
G
M
Q
C
S
C
G
I
DYYTP
H
-------
E
E
--
T
N
N
E
S
F
V
I
Y
M
-
F
V
V
H
F
--
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
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
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
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
---------------------------
28
HHSearch
78.55
15%
-108
- C3 -
2KS9
1
NK1R_HUMAN
A:
[32-321]
-------------------------------------
I
V
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
PGDSSDRYH
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
D
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
I
S
T
--------------
22
HHSearch
77.31
15%
-124
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-495]
-----------------------------------
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
-------------------------------------------
26
HHSearch
75.13
13%
-123
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-330]
-----------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
---
V
I
Y
L
F
T
K
T
--
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
-
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
---
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
-----
G
P
I
F
G
-
W
G
A
Y
T
L
----
E
G
V
L
C
N
C
S
F
D
Y
I
S
-------------------
R
D
--
S
T
T
R
S
N
I
L
C
M
-
F
I
L
G
F
--
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
-----------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
A
----
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
G
------------
P
LEW---------
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
-------
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
-----
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
--------------------------
32
HHSearch
74.98
13%
-127
* C3 *
3PBL
2
DRD3_HUMAN (first)
A:
[41-471]
----------------------------------------
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
TCH---------
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
----------------------------------------------------
30
HHSearch
74.33
15%
-101
- C3 -
1U19
14
OPSD_BOVIN
A:
[38-323]
-----------------------------------
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
QQQESA
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
QGS---------
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
T
E
T
S
Q
V
A
P
A
---------------------------
31
HHSearch
74.21
15%
-112
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[61-492]
-----------------------------------
N
S
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
IDEGLRL
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
TGTWDAYA
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
--------------------------------------------------
5
PsiBlast_PDB
66.36
23%
-134
- C3 -
4IB4
10
5HT2B_HUMAN (first)
A:
[34-240]
------------------------------------------
L
L
I
L
M
V
I
I
P
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
E
T
---
N
P
N
N
I
T
C
VL-----
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
Q
R
A
S
K
V
L
G
I
V
F
F
L
F
L
L
M
W
--------------
6
PsiBlast_PDB
66.27
23%
-140
- C3 -
4NC3
12
C562_ECOLX
A:
[34-240]
------------------------------------------
L
L
I
L
M
V
I
I
P
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
E
T
-
V
D
N
P
N
N
I
T
C
VL-----
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
------------
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
Q
R
A
S
K
V
L
G
I
V
F
F
L
F
L
L
M
W
C
P
F
F
I
T
N
--------------
33
HHSearch
65.92
13%
-93
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[37-321]
-----------------------------------
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
---
V
M
L
V
I
L
Y
S
--
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
T
--
L
P
-
I
W
A
A
S
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
---
V
H
A
T
R
T
L
T
Q
----
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
-----
P
F
F
L
F
-
R
Q
A
Y
H
P
----
N
N
S
S
P
V
C
Y
E
V
L
G
N
-----------
D
-------
T
A
--
K
W
R
M
V
L
R
I
L
P
-
H
T
F
G
F
--
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Q
----
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
------------
R
TQVIQE
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
61.21
22%
-138
- C3 -
4IAR
1
C562_ECOLX
A:
[21-179]
----------------------------------------
V
L
L
V
M
L
L
A
L
I
T
-
L
A
T
T
L
S
N
A
F
V
I
A
T
V
Y
R
T
--
R
K
L
H
T
P
A
N
Y
L
I
A
S
L
A
V
T
D
L
L
V
S
I
L
V
-
M
P
-
I
S
T
M
Y
T
V
-
T
G
R
W
T
L
G
Q
V
V
C
D
F
W
L
S
S
D
I
T
C
C
T
A
S
I
W
H
L
C
V
I
A
L
D
R
Y
W
A
I
---
T
D
A
V
E
Y
S
A
K
---
R
T
P
K
R
A
A
V
M
I
A
L
V
W
V
F
S
I
S
I
S
L
P
PFFW
R
Q
A
-------
S
E
C
V
V
N
T
D
H
I
L
Y
T
V
Y
S
T
V
G
A
F
Y
F
-------
P
-------
T
L
--
L
L
I
A
L
Y
G
R
I
Y
-
V
E
A
R
S
--
R
I
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
A
T
P
P
K
L
E
D
K
S
P
D
S
P
------------
E
------------
M
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
A
A
R
E
R
K
A
T
K
T
L
G
I
I
L
G
A
F
I
V
C
W
L
P
F
F
I
I
S
L
--------------
15
PsiBlast_PDB
60.74
25%
-135
- C3 -
3RFM
1
AA2AR_HUMAN
A:
[18-138]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
---
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
----
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
------------
C
------------
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
-------
I
V
L
A
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
------------------------------------------
16
PsiBlast_PDB
60.69
25%
-132
- C3 -
3UZA
1
AA2AR_HUMAN
A:
[18-138]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
---
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
----
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
------------
C
------------
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
-------
I
V
L
A
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
------------------------------------------
17
PsiBlast_PDB
60.16
25%
-132
- C3 -
3UZC
1
AA2AR_HUMAN
A:
[18-138]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
---
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
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
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
A
----
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
------------
C
------------
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
-------
I
V
L
A
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
------------------------------------------