@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 : FPR1_HUMAN: (2016-01-09 )
METNSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERLIHALPASLERALTEDSTQTSDTATNSTLPSAEVELQAK
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.......350
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------METNSSLPTNISGGTP-AV
S
A
G
Y
L
F
L
D
I
I
T
Y
L
V
F
A
V
T
F
V
L
G
V
LGN
G
L
V
I
W
-
V
-AG-F
R
M
T
-
H
--
T
V
T
-
T
I
S
Y
L
N
L
A
V
A
D
F
C
F
T-ST--
L
P
F
F
M
V
R
K
AMGGHW
P
F
G
W
F
L
C
K
F
V
F
T
I
V
D
I
N
L
F
G
S
V
F
L
I
A
L
I
A
L
D
R
C
V
C
VLHPVWTQNH---R
T
V
S
L
A
K
K
VI
I
G
P
W
V
M
A
L
L
L
T
L
P
-
V
I
I
R
-
V
T
TVPG--K
T
G
T
V
A
C
T
F
NF-SP---WTN
D
P
K
E
R
I
N
V
-------
A
V
A
M
L
T
V
R
G
I
I
R
F
I
I
GFSA------------------------------
P
M
S
I
V
A
V
S
Y
G
----
L
I
A
T
K
-----------------------------------------------
I
H
-------------------------------------------K-QGL--------------------------------------------------------------------------------------------------------------------------------------------------------------------IKSS--------R-----
P
--------
L
R
V
L
S
-----
F
-----
V
----
A
A
A
F
F
L
CW
S
P
Y
Q
V
V
-
A
L
I
-
A
T
---
V
R
I
R
---
E
-
L
L
-
Q
-----
G
---
M
--
Y
K
EIG
I
A
V
-
D
V
T
S
A
L
A
F
F
N
S
C
L
N
P
M
L
Y
V
FM
G
Q
D
F
R
E
R
L
I
H
A
L
P
A
S
L
E
R
A
LTEDSTQTSDTATNSTLPS
A
E
V
E
L
QAK
47
Fugue
84.32
27%
-143
- 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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVG
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
FQT
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
---------------------------------------
31
HHSearch
82.55
33%
-150
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-496]
--------------------------------------
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
---
E
-
I
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
-----------------------
29
HHSearch
81.40
23%
-150
- 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
VR
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
TGTWDAYPPP--
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
---
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
---------------------------------
20
PsiBlast_PDB
81.31
22%
-145
- C2 -
4XNW
2
RUBR_CLOPA
A:
[56-382]
---------------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCG
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
TPAM
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
---------------------------------------
18
PsiBlast_PDB
80.96
24%
-154
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-362]
---------------------------------------------
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
-
I
L
I
N
-
Y
K
R
L
-
K
--
S
M
T
-
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
-
L
T
--
V
P
F
W
A
H
Y
A
A
--
A
Q
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
T
-
R
S
Q
K
E
G
--
L
H
Y
T
C
S
S
H
F
P
Y
-
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDI
P
D
D
W
V
C
P
L
C
G
----
V
G
K
D
Q
-----------------------------------------------
F
E
-------------------------------------------
E
V
E
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
K
R
H
--------
R
-----
D
--------
V
R
L
I
F
-----
T
-----
I
----
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
-
L
L
L
-
N
T
---
F
Q
E
F
---
F
-
G
L
-
N
-----
N
---
C
S
S
S
N
R
L
D
Q
A
M
-
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
---------------------------------
4
PsiBlast_PDB
80.07
32%
-143
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[113-400]
------------------------------
A
R
S
A
S
S
L
A
L
A
I
A
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
LVD
I
D
R
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
79.94
32%
-149
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[113-400]
------------------------------
A
R
S
A
S
S
L
A
L
A
I
A
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
LVD
I
D
R
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
----------------------------------
22
PsiBlast_CBE
79.65
32%
-152
- C2 -
4RWA
1
C562_ECOLX (first)
B:
[113-400]
------------------------------
A
R
S
A
S
S
L
A
L
A
I
A
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
---------------------------------------------------------------------------------------------------
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
LVD
I
D
R
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
-------------------------------------
19
PsiBlast_PDB
79.65
22%
-147
- C2 -
4XNV
15
P2RY1_HUMAN
A:
[56-382]
---------------------------------------------
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
PEDGDPDNGVNPGTDFKDIVCPLCG----
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
TPAM
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
---------------------------------------
21
PsiBlast_CBE
79.59
32%
-144
- C2 -
4RWD
6
C562_ECOLX (first)
B:
[113-400]
------------------------------
A
R
S
A
S
S
L
A
L
A
I
A
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
LMLL
R
L
R
S
V
-----------------------------------------------
R
L
-------------------------------------------
L
-
S
G
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
--------
R
-----
S
--------
L
R
R
I
T
-----
R
-----
M
VLVV
V
G
A
F
V
V
C
W
A
P
I
H
I
F
-
V
I
V
-
W
T
LVD
I
D
R
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
-----------------------------------
1
PsiBlast_PDB
79.50
33%
-158
- C2 -
5C1M
7
?
A:
[23-294]
---------------------------------------------
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
-
V
R
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
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
---
E
T
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
--------------------------------------
28
HHSearch
79.34
23%
-150
* C2 *
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
----------------------------------------
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
TGTWDAYKFC--
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
---
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
--------------------------------
2
PsiBlast_PDB
78.04
32%
-146
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[112-403]
--------------------------
G
S
P
G
A
R
S
A
S
S
L
A
L
A
I
A
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
LVD
I
D
R
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
-----------------------------
30
HHSearch
77.68
22%
-151
- 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
TGTWDAYLHM--
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
---
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
--------------------------------
46
Fugue
76.56
19%
-127
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPF
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
D
Y
------
Y
T
P
H
E
E
T
N
N
E
S
-------
F
V
I
Y
M
F
V
V
H
-------
F
I
I
------------------------------
P
L
I
V
I
F
F
C
Y
G
----
Q
L
V
F
T
-----------------------------------------------
V
K
-------------------------------------------
E
-
A
A
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
T
T
--------
Q
K
A
E
K
E
V
--------
T
R
M
V
I
-----
I
-----
M
----
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
-
A
F
Y
-
I
F
---
T
H
Q
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
K
T
E
T
S
Q
V
A
P
A
-------------
7
PsiBlast_PDB
76.28
30%
-153
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[139-401]
-----------------------------------------------------
G
L
L
G
N
C
L
V
M
Y
-
V
-
I
--
L
R
H
T
-
K
MK
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
-------
P
Q
D
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
R
-------------------------------------------
G
-
V
R
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
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
-------------------------------------
40
HHSearch
74.91
24%
-146
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-333]
--------------------------------------
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
---
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
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
------
38
HHSearch
74.36
22%
-161
- 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
---
C
-
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
--------------------------------
16
PsiBlast_PDB
73.46
25%
-146
- C2 -
4XT3
2
US28_HCMVA
A:
[43-316]
-----------------------------------------
V
T
L
F
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
-------------------------------
15
PsiBlast_PDB
72.63
25%
-157
- C2 -
4XT1
15
US28_HCMVA
A:
[43-318]
-----------------------------------------
V
T
L
F
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
-----------------------------