@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 : P2RY2_HUMAN: (2016-01-14 )
MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
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)
MAADLGP----WNDTINGTWDGDEL
G
Y
R
C
--
R
FNE-D-
F
K
Y
V
L
L
PVS---YG
V
V
CV
P
G
L
C
L
N
A
V
A
L
Y
I
F
L
C
RLKTWNAS
T
T
Y
M
F
H
L
AVSD
A
L
Y
A
A-S--L
P
L
L
V
Y
Y
Y
ARGDHW
P
F
S
T
V
L
C
K
L
V
R
F
L
F
Y
T
N
L
Y
C
S
I
L
F
L
T
C
I
S
V
H
R
C
L
G
V
L
R
P
L
R
SLR
W
---
G
R
A
R
Y
A
R
R
V
A
G
A
V
W
V
L
V
L
A
CQA
P
V
L
Y
-
F
V
TTS-A---RG-
G
R
-
V
T
C
H-DT---S
A
P
E
L
F
-
S
R
F
V
A
Y
S
S
V
M
L
G
L
L
F
A
V
P
F
A
V
I
L
V
C
Y
-
V
L
M
A
R
R
L
L--------------------K-------------------PA-----------YGT--------------S-----------------------------------------------------------------------------------------------------------------------------------------------------------G-------------------------------------------------------------------------------------------------------------------------------------------------------------G-----LP------------------------------
R
A
--------------------
K
--
R
K
S
V
R
T
I
A
V
V
L
A
V
F
A
L
C
F
-
L
P
F
H
V
T
R
T
L
--
Y
Y
S
F
RS---LD--
L
S
------------------
C
H
T
L
N
A
I
N
----
M
A
Y
K
VTRPL
A
S
A
N
S
C
L
D
P
V
-------
L
Y
F
L
A
G
Q
R
L
V
R
-
F
A
RDAKPPTGPSPAT
P
A
R
R
R
LGLRRSD
R
T
D
M
Q
R
I
E
D
V
LGSSEDSRRTESTPAGSENTKDIRL----------------------------------------------------------------------------------------
48
Fugue
91.09
39%
-163
- C4 -
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
P
--------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-----
D
P
DNGVNPGTDFKDIVCPLCGVGKDQ
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
DFQ
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
90.17
31%
-165
- C4 -
4XNW
2
RUBR_CLOPA
C:
[37-386]
------------------------
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
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
YKMKKYTCTVCGYIYNPEDG
D
-------------------
P
D
-----------
N
G
V
--------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------
G
TDFKD
I
P
------------------------------
D
D
WVCPLCGVGKDQFEEVEEPL
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
DRVY
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
----------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
89.52
31%
-164
- C4 -
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
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
PEDG
D
-------------------
P
D
-----------
N
G
V
--------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------
G
TDFKD
I
P
------------------------------
D
D
WVCPLCGVGKDQ
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
87.66
31%
-169
- C4 -
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
PEDG
D
-------------------
P
D
-----------
N
G
V
--------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------
G
TDFKD
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
----------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
84.03
25%
-152
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-497]
---------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
82.10
20%
-163
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-357]
------------------------------------------
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
PY
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
PEDGD
P
D
-----------
N
G
V
--------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------
G
TDFKD
I
P
DDWVCPLCGVGKDQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
79.10
24%
-156
* C4 *
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
77.52
18%
-117
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
NFYV
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
--------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
77.44
29%
-158
- C4 -
4N6H
22
OPRD_HUMAN
A:
[132-414]
--------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
76.97
29%
-157
- C4 -
4RWD
6
C562_ECOLX (first)
A:
[129-406]
--------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.62
29%
-165
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[129-406]
--------------------------------------------------
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
76.20
32%
-172
- C4 -
5C1M
7
?
A:
[24-294]
--------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
75.70
31%
-170
- C4 -
4EA3
3
C562_ECOLX (first)
A:
[132-393]
--------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
74.72
20%
-109
- C4 -
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
IGRNTNGVIT
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
T
G
T
W
D
A
Y
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
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
22
PsiBlast_CBE
74.41
31%
-174
- C4 -
4EA3
3
OPRX_HUMAN
B:
[132-393]
--------------------------------------------------
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
I
R
A
L
D
V
---
R
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
----------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
F
-------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
72.99
20%
-146
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
-----------------------------------------
V
F
I
V
L
V
---
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
--
M
N
L
Y
T
L
Y
T
-
V
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
-
F
W
Q
F
I
-
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
72.58
18%
-127
- C4 -
2Z73
5
OPSD_TODPA
A:
[29-335]
---------------------------------
V
P
-
D
-
A
V
Y
Y
S
L
G
I
F
---
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
-
V
N
G
F
P
L
M
T
I
S
C
-
F
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
-
G
W
G
A
Y
T
L
---
E
G
-
V
L
-
C
N
C
S
-
F
D
---
Y
I
S
R
D
S
--
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
-
F
N
I
V
M
S
V
S
--------------------
N
-------------------
H
E
-----------
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----
G
A
------------------------------
N
A
--------------------
E
--
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
-
S
P
Y
A
V
V
A
L
L
--
A
Q
F
G
P
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
--------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
72.06
24%
-164
- C4 -
4XT1
15
US28_HCMVA
A:
[23-306]
--------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
71.14
24%
-161
- C4 -
4XT3
2
US28_HCMVA
A:
[26-306]
-----------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
71.09
24%
-144
- C4 -
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
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
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
----------------------------------------------------------------------------------------------------