@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 : P2Y10_HUMAN: (2016-01-14 )
MANLDKYTETFKMGSNSTSTAEIYCNVTNVKFQYSLYATTYILIFIPGLLANSAALWVLCRFISKKNKAIIFMINLSVADLAHVLSLPLRIYYYISHHWPFQRALCLLCFYLKYLNMYASICFLTCISLQRCFFLLKPFRARDWKRRYDVGISAAIWIVVGTACLPFPILRSTDLNNNKSCFADLGYKQMNAVALVGMITVAELAGFVIPVIIIAWCTWKTTISLRQPPMAFQGISERQKALRMVFMCAAVFFICFTPYHINFIFYTMVKETIISSCPVVRIALYFHPFCLCLASLCCLLDPILYYFMASEFRDQLSRHGSSVTRSRLMSKESGSSMIG
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.......-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MA
N
L
D
K
Y
T
E
T
F
KMGSNS---T
S
T
A
E
I
Y
C
N
VT
N
V
---
K
-
F
Q
-----
Y
S
-------
L
Y
A
T
T
Y
I
L
I
F
I
P
G
L
LAN
S
A
A
L
W
V
L
C
R
F
I
SKKN
K
A
I
I
F
M
I
NL
S
V
A
D
L
A
H
V
------
L
-S----LP
L
R
I
Y
Y
Y
I--SH-H-
W
P
F
Q
R
A
L
C
L
L
C
F
Y
L
K
Y
L
N
M
Y
A
S
I
C
F
L
T
C
I
S
L
Q
R
C
F
F
L
LK
P
-
F
R
A
-
R
D
-
W
----
K
R
R
YDV-G-I-
S
A
A
I
W
I
V
VGTACLPFPIL-RSTDL--NN--N
K
--
S
C
F
A
D
LG----
Y
K
Q
M
N
A
V
A
L
V
G
M
I
----------
T
V
A
E
----
L
A
G
F
V
I
P
V
I
I
I
A
W-------------C---
T
W
K
T
T
I
SL--------------------------R--------------------------Q----------------------P
P
M
A
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
----
G
I
-----------------
S
E
----------------------
R
Q
K
A
L
----
R
--
M
-
V
F
M
C
A
A
V
---
F
F
I
----CFT
P
Y
H
I
--
N
F
I
F
Y
T
M
-
V
K
E
T
I
--I-S-SC
P
V
V
R
I
A
L
Y
F
H
P
F
C
L
C
L
A
S
L
C
C
L
L
D
P
I
L
Y
Y
F
M
A
S
E
F
R
D
Q
L
S
RH-G
S
S
V
T
R
S
R
L
MSKESGSSMIG-
50
Fugue
95.13
28%
-170
- C6 -
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
TI
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
PEDGDPDNGV
N
----------------------
P
G
T
D
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
I
VCPLCGVGKDQ
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
QT
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
--------------------------
1
PsiBlast_PDB
92.33
24%
-174
- C6 -
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
TI
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
PEDGDPDNG
V
--------------------------
N
----------------------
P
G
T
D
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
I
-------------------VCPLCGVGKDQ
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
--------------------------
2
PsiBlast_PDB
90.94
24%
-174
- C6 -
4XNW
2
RUBR_CLOPA
A:
[37-382]
-----------------------
S
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
-
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
TI
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
PEDGDPDNG
V
--------------------------
N
----------------------
P
G
T
D
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
I
-----------------
P
D
DWVCPLCGVGKDQ
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
--------------------------
14
PsiBlast_PDB
89.02
21%
-172
- C6 -
4MBS
8
CCR5_HUMAN (first)
A:
[22-361]
---------------------------
C
Q
K
I
N
V
---
K
Q
I
A
-----
A
R
-------
L
L
P
P
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
PEDGDPDNGVN
P
G
T
D
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
I
-----------------
P
D
DWVCPLCGVGKDQ
F
E
E
V
E
E
EK
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
-------------------
31
HHSearch
84.67
22%
-160
- C6 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-499]
------------------------------------
N
-
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
TGTWDAYG
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
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
---------
4
PsiBlast_PDB
80.91
26%
-178
- C6 -
5C1M
7
?
A:
[24-293]
-----------------------------------------------------------
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
-------------------------
3
PsiBlast_PDB
80.62
25%
-178
- C6 -
4EA3
3
C562_ECOLX (first)
A:
[132-401]
-----------------------------------------------------------
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
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
------------------------
8
PsiBlast_PDB
80.55
24%
-165
- C6 -
4XT1
15
US28_HCMVA
A:
[23-318]
-------------
D
Y
D
E
---
D
A
T
P
C
V
F
T
D
V
L
N
Q
---
S
-
K
P
-----
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
---------------
9
PsiBlast_PDB
79.79
24%
-153
- C6 -
4XT3
2
US28_HCMVA
A:
[26-316]
----------------
E
---
D
A
T
P
C
V
F
T
D
V
L
N
Q
---
S
-
K
P
-----
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
------------------
20
PsiBlast_PDB
79.75
21%
-170
- C6 -
4BWB
1
NTR1_RAT
A:
[7-317]
--------------------
N
S
D
L
D
V
N
T
D
I
--------
Y
S
-----
K
V
-------
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
-------
Q
S
L
Q
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
-
A
----
L
P
V
D
L
Y
N
F
I
WV
H
H
-
P
-
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
-
F
K
A
-
K
T
L
M
----
S
R
S
R
T
K
-
K
-
F
-
I
S
A
I
W
L
--
A
S
A
L
L
A
I
P
M
L
-
F
T
M
G
L
--
Q
N
--
L
S
--
G
D
G
T
H
P
G
GLVC
T
P
I
V
D
T
A
T
L
R
V
V
I
----------
Q
L
N
T
----
F
M
S
F
L
F
P
M
L
V
A
S
------------------
I
L
N
T
V
A
A
R
--------------------------
R
--------------------------
L
----------------------
T
V
M
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------E
P
G
-------------------
R
V
Q
A
L
----
R
--
R
G
V
L
V
L
R
A
V
V
I
A
F
V
V
----
C
W
L
P
Y
H
V
--
R
R
L
M
F
V
Y
-
I
S
D
E
Q
--
W
-
T
-
T
A
-
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
-
L
A
C
L
C
----------------
17
PsiBlast_PDB
79.43
21%
-176
- C6 -
4XEE
4
?
A:
[18-345]
-----------------------------
G
P
N
S
---
D
-
L
D
-----
V
N
T
D
I
Y
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
-------
S
T
V
H
Y
H
L
G
S
L
A
L
S
D
L
------
L
-
I
L
L
L
A
M
P
V
E
L
Y
N
F
I
WV
H
H
-
P
-
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
E
R
Y
L
A
I
C
H
P
-
F
K
A
-
K
T
L
M
----
S
R
S
R
T
K
-
K
-
F
-
I
S
A
I
W
L
A
--
S
A
L
L
A
I
P
M
L
-
F
T
M
G
L
--
Q
N
--
R
S
--
A
D
G
T
H
P
G
G
L
V
C
T
P
I
V
D
T
A
T
V
K
V
V
I
----------
Q
V
N
T
----
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
T
V
M
V------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
----------------------
R
V
Q
A
L
----
R
--
H
G
V
L
V
L
R
A
V
V
I
A
F
V
V
----
C
W
L
P
Y
H
V
--
R
R
L
M
F
C
Y
-
I
S
D
E
Q
--
W
-
T
-
T
F
-
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
-
L
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
-
37
HHSearch
79.38
19%
-161
- C6 -
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
TGTWDAY--
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
-
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
------------------
51
Fugue
79.25
18%
-126
- C6 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
---
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
LAE
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
GM
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
18
PsiBlast_PDB
79.18
21%
-165
- C6 -
4BV0
1
NTR1_RAT
A:
[7-317]
--------------------
N
S
D
L
D
V
N
T
D
I
--------
Y
S
-----
K
V
-------
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
R
--
K
-------
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
-
A
----
L
P
V
D
V
Y
N
F
I
WV
H
H
-
P
-
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
-------L
M
----
S
R
S
R
T
K
-
K
-
F
-
I
S
A
I
W
L
--
A
S
A
L
L
A
I
P
M
L
-
F
T
V
G
L
--
Q
N
--
L
S
--
G
D
G
T
H
P
G
GLVC
T
P
I
V
D
T
A
T
L
K
V
V
I
----------
Q
L
N
T
----
F
M
S
F
L
F
P
M
L
V
A
S
------------------
I
L
N
T
V
I
A
R
--------------------------
R
--------------------------
L
----------------------
T
V
M
V
H
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------P
G
--------------------
R
V
Q
A
L
----
R
R
G
V
-
L
V
L
R
A
M
V
I
A
-
F
V
V
----
C
W
L
P
Y
H
V
--
R
R
L
M
F
V
Y
-
I
S
D
E
Q
--
W
-
T
-
T
A
-
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
-
L
A
C
L
-----------------
19
PsiBlast_PDB
78.80
22%
-165
- C6 -
4XES
5
?
A:
[17-345]
----------------------------
A
G
P
N
S
---
D
-
L
D
V
N
T
D
I
Y
S
K
V
-----
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
K
S
L
Q
S
L
Q
S
T
V
H
Y
H
L
G
S
L
A
L
S
D
L
------
L
-
I
L
L
L
A
M
P
V
E
L
Y
N
F
I
WV
H
H
-
P
-
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
A
R
Y
L
A
I
C
H
P
-
F
K
A
-
K
T
L
M
----
S
R
S
R
T
K
-
K
-
F
-
I
S
A
I
W
L
A
--
S
A
L
L
A
I
P
M
L
-
F
T
M
G
L
--
Q
N
--
R
S
--
A
D
G
T
H
P
G
G
L
V
C
T
P
I
V
D
T
A
T
V
K
V
V
I
----------
Q
V
N
T
----
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
T
V
M
V------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
----------------------
R
V
Q
A
L
----
R
--
H
G
V
L
V
L
R
A
V
V
I
A
F
V
V
----
C
W
L
P
Y
H
V
--
R
R
L
M
F
C
Y
-
I
S
D
E
Q
--
W
-
T
-
T
F
-
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
-
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
-
43
HHSearch
78.62
19%
-167
- C6 -
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
GTWDAY
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
-
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
------------------
41
HHSearch
78.48
24%
-143
- C6 -
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
PN
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
----------------
5
PsiBlast_PDB
78.31
26%
-174
- C6 -
4N6H
21
OPRD_HUMAN
A:
[139-402]
------------------------------------------------------------------
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
SP
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
--
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
---------------
7
PsiBlast_PDB
77.86
26%
-175
- C6 -
4RWD
6
C562_ECOLX (first)
A:
[136-399]
------------------------------------------------------------------
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
--
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
--------------------
52
Fugue
77.65
15%
-117
- C6 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVV
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
GM
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
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
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
-