@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 : OR9K2_HUMAN: (2016-01-14 )
MLGSKPRVHLYILPCASQQVSTMGDRGTSNHSEMTDFILAGFRVRPELHILLFLLFLFVYAMILLGNVGMMTIIMTDPRLNTPMYFFLGNLSFIDLFYSSVIEPKAMINFWSENKSISFAGCVAQLFLFALLIVTEGFLLAAMAYDRFIAICNPLLYSVQMSTRLCTQLVAGSYFCGCISSVIQTSMTFTLSFCASRAVDHFYCDSRPLQRLSCSDLFIHRMISFSLSCIIILPTIIVIIVSYMYIVSTVLKIHSTEGHKKAFSTCSSHLGVVSVLYGAVFFMYLTPDRFPELSKVASLCYSLVTPMLNPLIYSLRNKDVQEALKKFLEKKNIIL
Atome Classification :
(20 SA)
---------------------.........--10........20.......-------.30........---40........50........60...---------.....70......-..-80........90........100-..-----------.....110-....-....-120.......130..---....---------------------.140.......150.......160-.........170----.......180...---....190.-------......200......--.210....-------....--.220.......230.......240.......250...------------------------------------------------------------------------------------------------------------------------------------------------------------------.-------------------------------------------------------------------------------------------------------------------------------------------------------------------...----260......--.270.......280-----------......-------------.--.----290------------.....---------....300...--....310....----------...320.......330...------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------MLGSK
P
R
V
H
--
L
Y
I
LPCAS
Q
Q
V
S
TMGDRGT-------S
N
H
S
E
M
T
D
F
I
L
---AGFRVR
P
E
L
H
I
L
L
F
L
L
F
L
F
V
Y
A
M
I
L
---------LGNV
G
M
M
T
I
I
MTD-PR-LNT
P
M
Y
F
F
LGN
L
S
F
I
D
L
F
Y
S
SVI-
E
P
-----------
K
A
M
I
N
F-W-SENK-S
I
S
F
-
A
G
C
V
A
Q
L
F
L
F
A
L
L
I
V---TE
G
F
---------------------
L
L
A
A
M
A
Y
D
R
F
I
A
I
C
N
P
L
L
Y
S
V
Q
---
M
S
T
R
L
C
T
Q
L
V
AG----S
Y
F
C
G
C
I
S
S
V
I
Q
T
---
S
M
T
F
T
L
S
F
-------
C
A
S
R
A
V
D
HFYCDSRP--LQ--RL
S
C
-------
S
D
L
F
--
I
H
R
M
I
S
FS
L
S
C
I
I
I
L
P
T
I
I
V
I
I
V
S
Y
M
Y
I
V
S
T
V
L
K
IHS------------------------------------------------------------------------------------------------------------------------------------------------------------------T-------------------------------------------------------------------------------------------------------------------------------------------------------------------EG
H
----
K
K
A
F
S
T
C
S
S
--
H
L
G
V
V
S
V
L
Y
G
A
V
F
------------
F
M
Y
LTP-------------D--R----F--------------P
E
L
S
K
---------
V
A
S
L
C
Y
S
L
V
T
--
P
M
L
N
P
L
I
Y
S
L
R----------
N
K
D
V
Q
E
A
L
K
K
F
L
E
KKNIIL------------------------------------------------------------------
23
HHSearch
88.92
17%
-145
- C2 -
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
TGTWDAYKFC--
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
DNLI----------
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
-----------------------------------------------------------------------
30
HHSearch
86.24
18%
-139
- C2 -
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
GTWDAYGVP
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
QTCHV---------
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
-----------------------------------------------------------------------
16
PsiBlast_PDB
84.80
19%
-140
- C2 -
3REY
1
AA2AR_HUMAN
A:
[14-304]
-----------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
---------------------
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
--------
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
A
A
A
R
R
Q
L
K
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
Q
PLPG
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
-------------
D
CS
H
----
A
--------------
P
L
W
L
M
---------
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------
18
PsiBlast_PDB
84.31
19%
-138
- C2 -
3UZA
1
AA2AR_HUMAN
A:
[14-304]
-----------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
---------------------
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
--------
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
A
A
A
R
R
Q
L
K
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
Q
PLPG
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
-------------
D
CS
H
----
A
--------------
P
L
W
L
M
---------
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------
19
PsiBlast_PDB
83.99
19%
-140
- C2 -
3UZC
1
AA2AR_HUMAN
A:
[14-304]
-----------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
---------------------
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
--------
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
A
A
A
R
R
Q
L
K
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
Q
PLPG
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
-------------
D
CS
H
----
A
--------------
P
L
W
L
M
---------
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------
17
PsiBlast_PDB
83.64
19%
-139
- C2 -
3RFM
1
AA2AR_HUMAN
A:
[14-304]
-----------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
---------------------
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
--------
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
A
A
A
R
R
Q
L
K
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
Q
PLPG
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
-------------
D
CS
H
----
A
--------------
P
L
W
L
M
---------
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------
15
PsiBlast_PDB
83.42
19%
-137
- C2 -
3PWH
1
?
A:
[14-304]
-----------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
---------------------
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
P
--------
G
C
G
--
E
G
--
Q
V
A
C
LF-----
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
A
A
A
R
R
Q
L
K
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
Q
PLPG
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
-------------
D
CS
H
----
A
--------------
P
L
W
L
M
---------
Y
L
A
I
V
L
A
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
-----------------------------------------------------------------------
21
HHSearch
82.99
17%
-139
- C2 -
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
--------
G
V
R
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
TGTWDAYPP-
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
APCI----------
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
------------------------------------------------------------------------
28
HHSearch
81.99
15%
-152
- C2 -
3EML
13
ENLYS_BPT4
A:
[21-470]
---------------------------------------------------------------------------------
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
VV
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
PDCSHA--------
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
------------------------------------------------------------------
40
Fugue
81.52
15%
-111
- C2 -
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
VGW
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
GSDFGPIFM
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
TTVSKTETS
Q
V
A
P
A----------------------------------------------------
24
HHSearch
79.27
15%
-140
- C2 -
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
TGTWDAYLH-
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
KNCC----------
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
-----------------------------------------------------------------------
32
HHSearch
78.06
17%
-132
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
-------------------------------------------------------------------------------
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
KVKTC
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
---------------------------------------------------------------------
27
HHSearch
78.03
16%
-138
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-333]
-------------------------------------------------------------------------------
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
PLEWV---------
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
------------------------------------------------------------------
39
Fugue
75.97
15%
-122
- C2 -
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
---
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
DYYTP
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
E
----
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
QG
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
GDDEA
S
T
T
V
S
K
TETSQVAPA----------------------------------------------
29
HHSearch
75.91
16%
-136
- C2 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
----------------------------------------------------------------------------------
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
PDLYLKKF------
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
------------------------------------------------------------------
31
HHSearch
71.30
14%
-125
- C2 -
1U19
14
OPSD_BOVIN
A:
[38-327]
-------------------------------------------------------------------------------
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
QGS
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
------------------------------------------------------------------
22
HHSearch
69.84
15%
-141
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-496]
-------------------------------------------------------------------------------
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
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
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
------------------------------------------------------------------
33
HHSearch
64.95
15%
-122
- C2 -
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
RTQVIQE
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
---------------------------------------------------------------------
48
Fugue
57.28
10%
-118
- C1 -
1Q19
3
CARA_PECCC
A:
[2-501]
S
N
S
F
C
V
V
Y
KGS
D
T
D
I
N
N
I
Q
R
D
F
D
G
K
G
E
A
L
S
N
G
Y
L
F
I
E
Q
N
G
H
Y
Q
K
C
E
M
E
R
G
T
A
Y
L
I
G
SL
Y
N
R
T
F
L
I
G
L
A
G
V
WE
G
E
A
Y
L
A
N
D
A
E
L
L
A
L
L
F
T
R
L
G
A
N
A
L
A
L
AEGD
F
C
F
F
I
D
E
P
N
G
E
L
T
V
I
T
E
-
S
R
-
G
F
S
P
V
H
V
V
Q
G
K
K
A
W
M
T
N
S
L
K
L
V
T
-
A
A
EGEGA
L
W
F
E
E
E
A
L
V
C
Q
S
-
L
-
M
R
A
D
-
T
Y
T
P
-
V
K
N
A
Q
R
L
K
P
G
A
V
H
V
L
---
T
H
D
S
EG
Y
S
F
V
E
S
R
T
LTTPASNQLLA
L
P
R
E
P
L
L
A
L
I
D
R
Y
L
N
A
P
L
E
D
L
A
---
P
R
F
D
T
V
G
I
P
L
S
G
G
L
D
S
S
L
V
T
A
L
A
S
R
H
F
K
K
---
L
N
T
Y
S
I
G
T
ELSNE
F
E
F
S
Q
Q
V
A
D
A
L
G
T
H
H
Q
M
--
K
I
L
S
E
T
E
V
-------
I
N
G
I
--
I
E
S
I
Y
Y
N
E
I
F
D
G
L
S
A
E
I
Q
S
G
L
F
N
V
Y
R
Q
A
Q
G
Q
V
S
C
M
L
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
G
S
----
D
L
L
F
G
G
I
L
K
--
P
G
A
Q
Y
D
N
P
N
Q
L
L
A
------------
E
Q
V
Y
R
T
-------------
R
--
W
----
T
--------------
G
E
F
A
T
---------
H
G
A
S
C
Y
G
I
D
I
RH
P
F
W
S
H
S
L
I
S
L
C
H
ALHPDYKIF
D
N
E
V
K
N
I
L
R
E
Y
A
D
S
L
Q
L
L
P
K
D
I
V
W
RKKIG
I
H
E
G
S
S
V
N
Q
A
F
A
N
V
L
GSTVDN
Y
Q
T
K
S
R
F
T
Y
R
V
Y
Q
A
F
L
R
GRLSITDVTPSQLKDLIK
6
PsiBlast_PDB
52.59
23%
-117
- C2 -
4XEE
1
?
A:
[41-184]
---------------------------------------------------------------------------------------------
A
L
F
V
---------
V
G
T
V
G
N
S
V
T
L
F
T
L
-
A
R
K--
S
T
V
H
Y
H
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
-
M
P
-----------
V
E
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
-
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
---
A
T
A
L
---------------------
N
V
A
S
L
S
V
E
R
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
----
I
W
L
A
---
S
A
L
L
A
I
---
P
M
L
F
T
M
G
L
--------
Q
N
R
S
A
D
G
T
H
P
G
G
L
V
--
C
T
--
P
I
V
D
-------
T
A
T
V
--
K
V
V
I
Q
V
N
T
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
T
V
M
V
P
G
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
A
L
----
R
H
G
V
L
V
L
R
A
--
V
V
I
A
F
V
V
C
W
L
P
Y
H
------------
V
R
R
L
M
F
-------------
C
--
Y
----
I
--------------
S
D
E
Q
W
---------
T
T
F
L
F
D
F
Y
H
Y
--
F
Y
M
L
T
N
A
L
F
Y
A
----------
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
------------------------------------------------------------------