@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 : P2Y11_HUMAN: (2016-01-14 )
MAANVSGAKSCPANFLAAADDKLSGFQGDFLWPILVVEFLVAVASNGLALYRFSIRKQRPWHPAVVFSVQLAVSDLLCALTLPPLAAYLYPPKHWRYGEAACRLERFLFTCNLLGSVIFITCISLNRYLGIVHPFFARSHLRPKHAWAVSAAGWVLAALLAMPTLSFSHLKRPQQGAGNCSVARPEACIKCLGTADHGLAAYRAYSLVLAGLGCGLPLLLTLAAYGALGRAVLRSPGMTVAEKLRVAALVASGVALYASSYVPYHIMRVLNVDARRRWSTRCPSFADIAQATAALELGPYVGYQVMRGLMPLAFCVHPLLYMAAVPSLGCCCRHCPGYRDSWNPEDAKSTGQALPLNATAAPKPSEPQSRELSQ
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)
MAANVSGAKSCP
A
--------
N
F
-------
L
AAADDKLSGFQGD
F
L
W
P
I
L
V
V
E
F
L
V
A
V
ASN
G
L
A
L
Y
R
F
S
IRKQRPW-H-
P
A
V
V
F
S
V
Q
L
A
V
S
D
L
L
C
A
LTL-P
P
L
A
A
YLY-PPKHWR
Y
G
E
A
A
C
R
L
E
R
F
L
F
T
C
N
L
L
G
S
V
I
F
I
T
C
I
S
L
N
R
Y
L
G
I
V
H
P
F
F
A
R
SH---LRP-K
H
A
W
A
V
S
A
A
G
W
V
L
A
A
L
L
AMPTL-
S
F
S
H
LKRP--QQGAGNCSVA
R
P
E
A
C
I
K
C
LG-TADH
G
L
A
A
Y
R
A
Y
S
L
V
L
A
GLGC
G
-
L
P
L
L
L
T
---------
L
A
A
Y
G
A
L
G
R
A
V
L-------------------------R-------------------------SP--------
G
------------------
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
T
----------------------
V
---
A
E
--------------------
K
L
R
V
A
A
--
L
V
AS
G
V
A
L
Y
A
SSY
V
P
Y
H
I
M
R
V
L
---
N
V
D
A
R
-RRW-S-TRCP
S
F
A
D
I
A
Q
A
T
A
A
LELG
P
Y
V
G
Y
Q
V
M
R
G
L
M
P
L
A
F
---
C
V
H
--------
P
L
L
Y
M
A
AVPSL
G
C
C
C
RHCPGYRDSWN
P
E
D
A
KSTGQALPLNATAAPKPSEPQSRELSQ-----------------------------------------------------------------------------------------
41
Fugue
97.87
34%
-128
- 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
TVCG
Y
I
Y
N
PEDGDPDNG
V
-------------------------
N
P
--------
G
------------------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
----------------------
F
---
K
D
IVCPLCGVGKDQ
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
93.53
29%
-138
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[46-375]
--------------------------------------
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
PEDGDPDNGV
N
P
--------
G
------------------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
FKDIVCPLCGVGKDQ
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
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
91.38
29%
-136
- C3 -
4XNW
2
RUBR_CLOPA
A:
[46-375]
--------------------------------------
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
PEDGDPDNGV
N
P
--------
G
------------------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
FKDIPDDWVCPLCGVGKDQ
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
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
82.33
18%
-134
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
-------------------------------------------
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
-
Q
-
T
-
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
-
L
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
-
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
-
Q
M
H
W
Y
R
A
T
--
H
Q
E
A
I
N
C
Y
A
E
E
-----
T
C
C
D
-
F
F
-----
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
-
V
P
L
V
I
M
---------
V
F
V
Y
S
R
V
F
Q
E
A
K
-------------------------
R
-------------------------
Q
L
--------
N
------------------
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYK--
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
-----------------------------------------------------------------------------------------------------------------------------
22
HHSearch
80.48
21%
-127
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
-------------------------------------
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
TGTWDAYGS
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
--------------------------------------------------------------------------------------------------------------------
32
HHSearch
78.30
17%
-129
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
------------------------------------------
S
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
-
Q
-
N
-
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
-
T
--
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
-
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
-
L
G
W
N
N
C
G
Q
-----
S
Q
G
C
G
E
G
Q
V
----
A
C
L
F
-
E
D
V
V
---
P
M
N
Y
M
V
Y
F
N
F
F
A
C
V
L
-
V
P
L
L
L
M
---------
L
G
V
Y
L
R
I
F
L
A
A
R
-------------------------
R
-------------------------
Q
L
--------
N
------------------
I
F
E
M
L
R
I
D
E
GLRL
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
TGTW
D
A
Y
R
S
-
T
----------------------
L
---
Q
K
--------------------
E
V
H
A
A
K
--
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
---
T
F
F
C
P
-
D
C
--------------------
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
---
V
V
N
--------
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
------------------------------------------------------------------------------------------------------------------------
23
HHSearch
76.66
19%
-129
- 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
G
VR
T
V
E
D
G
E
C
Y
I
Q
F
F
----------------
S
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
-
L
P
V
I
I
M
---------
T
V
L
Y
W
H
I
S
R
A
S
K
-------------------------
S
-------------------------
R
I
--------
N
------------------
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYP--
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
------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
76.31
20%
-123
- C3 -
2Z73
5
OPSD_TODPA
A:
[30-333]
--------------------------------------
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
---------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
75.89
25%
-135
- C3 -
4XT3
2
US28_HCMVA
A:
[50-300]
---------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------
26
HHSearch
74.39
18%
-134
- C3 -
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
TGTWDAYL--
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
-----------------------------------------------------------------------------------------------------------------------------
33
HHSearch
73.69
18%
-128
- 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
GTWDAYG
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
-----------------------------------------------------------------------------------------------------------------------------
30
HHSearch
73.66
21%
-115
- C3 -
2KS9
1
NK1R_HUMAN
A:
[33-326]
-------------------------------------------
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
PGDSSDRYH---------
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
-----------------------------------------------------------------------------------------
45
Fugue
73.35
19%
-104
- 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
HSGSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
-------------------------
K
-------------------------
D
T
EG
Y
Y
T
I
GI
G
------------------
H
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
L
----------------------
L
TKS
P
S
--------------------
L
N
A
A
K
S
--
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
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
43
Fugue
73.00
16%
-91
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
--------
S
N
KTGVVRS
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
AA-----------------------
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
----------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
72.17
25%
-135
- C3 -
4XT1
13
US28_HCMVA
A:
[50-300]
---------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------
29
HHSearch
69.70
17%
-108
* C3 *
1U19
14
OPSD_BOVIN
A:
[37-328]
---------------------------------------
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
------------------
Q
QQESA
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
----------------------------------------------------------------------------------------------------
44
Fugue
69.07
17%
-80
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
SNKTGVVR
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
AQQQES--
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
T
E
T
S
Q
V
A
P
A
-----------------------------------------------------------------------------------------------------
34
HHSearch
68.56
20%
-111
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
-----------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------
31
HHSearch
66.82
15%
-127
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
---------------------------------------
E
N
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
-
H
-
R
-
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
-
A
-
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----------
N
N
-
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
-
M
G
W
N
C
I
S
-----
A
L
S
S
C
S
T
V
L
P
L
---------------
Y
H
K
H
Y
-
I
L
F
C
T
T
V
F
T
-
L
L
L
L
S
I
---------
V
I
L
Y
C
R
I
Y
S
L
V
R
-------------------------
T
-------------------------
R
N
--------
I
------------------
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
--
R
----------------------
S
---
S
E
--------------------
N
V
A
L
L
K
--
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
---
D
V
G
C
K
-
V
K
--------------------
T
C
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
---
G
T
N
--------
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
---------------------------------------------------------------------------------------------------------------------------
47
Fugue
65.09
12%
-93
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
----------------------------------------
D
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