@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 : LPAR4_HUMAN: (2016-01-11 )
MGDRRFIDFQFQDSNSSLRPRLGNATANNTCIVDDSFKYNLNGAVYSVVFILGLITNSVSLFVFCFRMKMRSETAIFITNLAVSDLLFVCTLPFKIFYNFNRHWPFGDTLCKISGTAFLTNIYGSMLFLTCISVDRFLAIVYPFRSRTIRTRRNSAIVCAGVWILVLSGGISASLFSTTNVNNATTTCFEGFSKRVWKTYLSKITIFIEVVGFIIPLILNVSCSSVVLRTLRKPATLSQIGTNKKKVLKMITVHMAVFVVCFVPYNSVLFLYALVRSQAITNCFLERFAKIMYPITLCLATLNCCFDPFIYYFTLESFQKSFYINAHIRMESLFKTETPLTTKPSLPAIQEEVSDQTTNNGGELMLESTF
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.......360.......370----------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGDR
R
F
I
D
F
Q
F
QDSNSSLRPRLGNATAN
N
T
C
-
I
VDDS
F
K
YNLN
G
---------
A
V
Y
S
V
V
F
I
L
G
L
I
TN
S
V
S
L
F
V
F
C
F
R
M
KMRSE
T
A
I
F
I
T
N
L
A
V
S
D
L
L
F
VC-TL
P
F
K
I
F
Y
NF----NR-H-WPFGD
T
L
C
K
ISG
T
A
F
L
T
N
I
Y
G
S
M
L
F
L
T
C
I
S
V
D
R
F
L
A
I
VYPFRS
R
T
I
---RTRRN
S
A
I
V
C
A
G
V
W
I
L
V
LSGGI
S
A
S
L
-
F
S-TTNV---N-N
A
T
T
T
C
F
E
G
F
--
S
--
K
R
V
W
K
-
T
Y
L
S
K
I
T
I
F
I
E
V
V
G
F
I
I
P
L
I
LNV
S
C
S
S
V
V
L
R
T
L--------------------------R---K-------------------------PA
T
------------
L
-------
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
IG----------------------------------------T
N
----------
K
K
-----
K
V
L
K
M
I
T
V
H
M
A
V
F
V
V
CFVP
Y
N
--
S
V
L
F
L
Y
A
L
-
V
R
S
Q
A
-
I
-
T
N
C
F
L
E
R
F
A
K
I
M
Y
P
----------
I
T
L
C
L
A
T
--
L
N
C
C
F
D
P
F
I
Y
Y
F
T
L
E
S
F
Q
K
S
F
---
Y
I
N
A
H
I
R
M
E
S
L
FKTETPLTTKPSL
P
A
I
Q
E
E
VSDQTTNNG
G
E
L
M
L
ESTF------------------------------------------------------------------------------------------------------------------------
46
Fugue
95.71
32%
-138
- 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
M
-
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
--------------------------
I
Y
K
M
K
-------------------------
K
Y
T
------------
C
-------
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------
V
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
93.84
28%
-141
- C3 -
4XNW
2
RUBR_CLOPA
A:
[37-382]
-----------------------------------
S
S
F
K
C
A
L
T
K
T
GFQFY
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
-
T
L
P
A
L
I
F
Y
Y
F
----
N
K
T
D
-
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
L
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
-
Y
S
-
G
T
G
V
R
--
K
-
N
K
T
I
T
C
Y
D
T
T
--
S
--
D
E
Y
L
R
-
S
Y
F
I
-
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNG
V
---
N
-------------------------
P
G
T
DFKDIPDDWVCP
L
-------
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
G
----------------------------------------
K
D
Q
F
E
E
V
EE
P
L
-
R
R
-----
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
L
R
A
R
-
L
D
F
Q
T
-
P
-
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
----------
V
T
R
G
L
A
S
--
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
93.48
28%
-144
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
------------------------------------
S
F
K
C
A
L
T
K
T
GF
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
PEDGDPDNG
V
---
N
-------------------------
P
G
T
DFKDIVCP----
L
-------
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
G
----------------------------------------
K
D
Q
F
E
E
V
EE
P
L
-
R
R
-----
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
L
R
A
R
-
L
D
F
Q
T
-
P
-
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
----------
V
T
R
G
L
A
S
--
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
R
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
91.67
28%
-125
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-497]
-----------------------------------
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
86.00
23%
-148
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-366]
------------------------------------------------------
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
DFKDIPDDWVCP
L
-------
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
G
----------------------------------------
K
D
Q
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
85.58
21%
-125
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
--------------------------------------
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
CC
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
TGTWDAY--
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
-
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.23
31%
-146
- C3 -
5C1M
7
?
A:
[22-296]
-----------------------------------------------------
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
V
N
Y
L
----
M
G
-
T
-
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
V
M
F
-
M
A
-
T
T
K
Y
---
R
-
Q
G
S
I
D
C
T
L
T
F
--
S
--
H
P
T
W
Y
W
E
N
L
L
K
I
C
V
F
I
--
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
--------------------------
K
---
S
-------------------------
V
R
M
------------
L
-------
S
GS
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
84.63
29%
-140
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[130-404]
-----------------------------------------------------
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
-
T
L
P
F
Q
G
T
D
I
L
----
L
G
-
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
-
M
G
-
S
A
Q
V
---
E
-
D
E
E
I
E
C
L
V
E
I
P
T
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
GSR------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
82.89
27%
-141
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[127-402]
-----------------------------------------------------
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
A
K
Y
L
----
M
E
-
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
-
M
A
-
V
T
R
P
---
R
-
D
G
A
V
V
C
M
L
Q
F
--
P
--
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
--
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
--------------------------
R
------------------------------
S
V
------------
R
-------
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
G
----------------------------------------
S
K
----------
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
--
I
F
V
I
V
W
T
L
-
V
D
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
82.34
27%
-139
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[127-402]
-----------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
82.28
21%
-129
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
----------------------------------------
M
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
81.11
21%
-135
- 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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
80.82
24%
-100
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
-------------------
P
C
F
R
E
E
N
A
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
T
E
G
Y
Y
--
T
I
G
I
G
H
L
L
-
T
K
S
P
S
-
L
-
N
A
A
K
S
E
L
D
K
A
I
G
R
N
TNGVIT
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
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
10
PsiBlast_PDB
80.71
27%
-143
- C3 -
4N6H
22
OPRD_HUMAN
A:
[130-405]
-----------------------------------------------------
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
A
K
Y
L
----
M
E
-
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
-
M
A
-
V
T
R
P
---
R
-
D
G
A
V
V
C
M
L
Q
F
--
P
--
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
--
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
--------------------------
R
------------------------------
S
V
------------
R
-------
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
G
----------------------------------------
S
K
----------
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
--
I
F
V
I
V
W
T
L
-
V
D
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
79.89
19%
-98
- C3 -
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
79.71
19%
-122
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
---------------------------------------
V
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
GVR
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
TGTWDAY--
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
-
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
79.09
32%
-108
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
-------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
78.79
26%
-139
- C3 -
4XT3
2
US28_HCMVA
A:
[47-311]
------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
78.76
22%
-123
- C3 -
2KS9
1
NK1R_HUMAN
A:
[31-325]
--------------------------------------
Q
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
------------
P
GDSSDRY
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
D
L
Y
-------
L
K
K
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
V
V
G
A
------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
78.49
23%
-123
- C3 -
2KS9
1
NK1R_HUMAN
A:
[8-305]
--------------
D
S
D
L
S
P
N
I
S
T
N
T
S
E
P
N
Q
-
F
V
Q
P
A
W
Q
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
SEI----------------------
P
G
D
------------
S
-------
S
DRYH-----------------------------------------------------------------------------------------------------------------------------------------------------------
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
------
D
L
Y
L
K
K
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
V
V
G
A
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