@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : P2RY6_HUMAN: (2016-01-14 )
MEWDNGTGQALGLPPTTCVYRENFKQLLLPPVYSAVLAAGLPLNICVITQICTSRRALTRTAVYTLNLALADLLYACSLPLLIYNYAQGDHWPFGDFACRLVRFLFYANLHGSILFLTCISFQRYLGICHPLAPWHKRGGRRAAWLVCVAVWLAVTTQCLPTAIFAATGIQRNRTVCYDLSPPALATHYMPYGMALTVIGFLLPFAALLACYCLLACRLCRQDGPAEPVAQERRGKAARMAVVVAAAFAISFLPFHITKTAYLAVRSTPGVPCTVLEAFAAAYKGTRPFASANSVLDPILFYFTQKKFRRRPHELLQKLTAKWQRQGR
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......-----------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MEWDNGTGQALGLPP
T
T
C
V
Y
R
E
N
-
F
K
Q
-----------LLL
P
P
V
----
Y
S
A
V
L
AAGL
P
L
N
I
C
V
I
T
Q
I
C
TSRRA
L
T
R
T
A
V
Y
T
L
N
L
A
L
A
D
L
L
Y
A
C-S
L
P
L
L
I
Y
NYAQGDHWP
F
G
D
F
A
C
R
L
V
R
F
L
F
Y
ANLHG
S
I
L
F
L
T
C
I
S
F
Q
R
Y
LGICHPL
A
P
W
H
K--RGG
R
R
A
A
W
L
V
C
V
A
V
W
L
A
V
T
T
Q
C
L
P
T
A
I
----
F
A
ATG-I---QRN
R
-
T
V
-
C
-
Y
-DLSP
P
A
L
A
-
T
H
YMP
Y
G
M
A
L
T
V
I
G
F
L
L
P
F
A
A
L
L
A
C
Y
C
L
L
A
-----------
C
R
L
-------------------------------------CR-----Q---DGPA-----------------------------E-------------------------------------------------------------------------------------------------------------------------------------------------------------
P
----
V
A
Q
E
R-R-G
K
A
A
R
M
A
V
V
V
A
A
A
F
A
I
S
F
---------
L
P
F
H
IT
K
-
T
A
Y
L
A
V
R---STP-G-V--
P
--
C
T
V
L
E
A
F
A
A
A
YKGTRPFA
S
A
N
S
V
L
D
P
I
L
---------------
F
Y
F
T
Q
K
K
F
R
R
R
P
H
E
L
L
Q
K
L
T
A
K
W
QRQGR-----------------------------------------------------------------------------------------------------------------------------------
52
Fugue
89.77
36%
-136
- 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
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
PEDGDPDNGVNPGTDFKDIV
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
AM
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
88.45
32%
-135
- C6 -
4XNW
2
RUBR_CLOPA
A:
[45-382]
--------------------------------
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
-
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
P
E
---
D
G
D
P
DNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
DF
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
----------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
88.19
32%
-136
- C6 -
4XNW
2
RUBR_CLOPA
C:
[45-386]
--------------------------------
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
-
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
RALIYKMKKYT
C
T
V
-------------------------------------
C
G
YIYNP
E
---
D
G
D
P
DNGVNPGTDFKDIPDDWVCPLCGVGKDQF
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
LDF
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
----
L
S
R
A
--------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
88.03
32%
-138
- C6 -
4XNV
15
P2RY1_HUMAN (first)
A:
[45-382]
--------------------------------
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
P
E
---
D
G
D
P
DNGVNPGTDFKDIVCPLCGVGKDQ
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
DF
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
----------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
83.26
26%
-130
- C6 -
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
TGTWDAY
G
----
S
K
G
H
Q
-
K
-
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
---------
L
P
Y
Y
I
G
I
-
S
I
D
S
F
I
L
---
L
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
------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
79.57
29%
-128
- C6 -
4N6H
22
OPRD_HUMAN
A:
[131-411]
-------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
79.22
29%
-128
- C6 -
4RWD
6
C562_ECOLX (first)
A:
[128-406]
-------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
78.97
25%
-126
- 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
GTWDA
Y
----
G
V
P
L
R
-
E
-
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
---------
L
P
F
F
L
T
H
-
V
L
N
T
H
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
---------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
78.56
23%
-121
- C6 -
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
GHLLTKSPS
L
N
A
A
K
S
E
-
L
D
K
A
I
G
R
---
N
T
N
-
G
-
V
IT
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
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
9
PsiBlast_PDB
78.56
29%
-132
- C6 -
4RWA
2
C562_ECOLX (first)
A:
[128-406]
-------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
76.98
29%
-145
- C6 -
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
RML
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
---------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
76.25
23%
-124
- C6 -
2KS9
1
NK1R_HUMAN
A:
[32-324]
--------------------------------------
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
G
-----------------------------
D
SSDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
75.93
26%
-137
- C6 -
4XT1
15
US28_HCMVA
A:
[29-318]
---------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
75.39
26%
-134
- C6 -
4XT3
2
US28_HCMVA
A:
[29-316]
---------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
73.89
20%
-120
- 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
TGTWDA--
Y
----
L
H
M
N
R
-
E
-
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
---------
I
P
Y
F
I
F
F
-
M
V
I
A
F
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
---------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
73.29
19%
-126
- C6 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVP
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
GW
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
TETS
Q
V
A
P
A--------------------------------------------------------------------------------------------------------------------------
54
Fugue
72.89
19%
-106
- 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
G
V
V
R
S
P
-
F
E
A
PQYYLAE
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
GW
S
R
Y
I
P
E
G
-
M
---
Q
----
C
S
-
C
G
I
-
D
Y
Y
T
P
H
E
E
-
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
-----------
F
T
V
-------------------------------------
K
E
-----
A
---
A
A
Q
Q
-----------------------------
Q
ES-----------------------------------------------------------------------------------------------------------------------------------------------------------
A
----
T
T
Q
K
A
-
E
-
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
---------
L
P
Y
A
G
V
A
-
F
Y
I
F
T
H
Q
-------
G
-
S
--
D
--
F
G
P
I
F
M
T
I
P
A
F
-----
F
A
K
T
S
A
V
Y
N
P
V
I
---------------
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA--------------------------------------------------------------------------------------------------------------------
36
HHSearch
72.59
21%
-124
* C6 *
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
--------------------------------------
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
TGTWDA--
Y
----
K
F
C
L
K
-
E
-
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
---------
L
P
F
F
I
V
N
-
I
V
H
V
I
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
---------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
72.16
28%
-115
- C6 -
2LNL
-
CXCR1_HUMAN
A:
[30-323]
----------------------------
C
M
L
E
T
E
T
-
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
-------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
72.15
20%
-125
- C6 -
3UON
4
ACM2_HUMAN (first)
A:
[21-457]
------------------------------------
F
E
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
TGTWDA--
Y
----
P
P
P
S
R
-
E
-
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
---------
A
P
Y
N
V
M
V
-
L
I
N
T
F
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
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