@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 : OR5W2_HUMAN: (2016-01-13 )
MDWENCSSLTDFFLLGITNNPEMKVTLFAVFLAVYIINFSANLGMIVLIRMDYQLHTPMYFFLSHLSFCDLCYSTATGPKMLVDLLAKNKSIPFYGCALQFLVFCIFADSECLLLSVMAFDRYKAIINPLLYTVNMSSRVCYLLLTGVYLVGIADALIHMTLAFRLCFCGSNEINHFFCDIPPLLLLSRSDTQVNELVLFTVFGFIELSTISGVFISYCYIILSVLEIHSAEGRFKALSTCTSHLSAVAIFQGTLLFMYFRPSSSYSLDQDKMTSLFYTLVVPMLNPLIYSLRNKDVKEALKKLKNKILF
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------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------M
D
W
E
N
C
S
S
L
T
-----------
D
F
F
L
L
GIT--N-NP
E
M
K
V
T
L
F
A
--
V
F
L
A
V
Y
I
INFSA------------NL
G
M
I
V
L
I
R
MD
Y
Q
-LH-----
T
P
M
Y
F
F
L
S
H
L
S
F
C
D
L
C
YSTAT--
G
-
P
K
M
L
V
D
L
L
-AKNK--SI
P
F
------------
Y
G
C
A
L
----------
Q
F
L
V
F
C
I
FADS
E
C
L
L
L
S
V
M
A
F
D
R
Y
K
A
I
I
N
-------
P
L
L
YTVN---M------SS
R
V
C
Y
L
L
L
T
G
V
Y
L
V
G
I
--------
A
D
A
L
I
H
M
------
T
L
A
F
R
------
L
C---FCGSNEI
N
H
F
FCDI
P
P
-------
L
L
L
L
SRSDTQ--
V
N
E
L
V
L
F
T
V
F
G
--
F
I
E
L
S
T
I
S
G
V
F
I
---
S
Y
C
Y
I
I
L
S
V
L
E
IHS------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------E-------------G
R
F
K
A
L
S
T
C
T
S
H
--------
L
S
A
---
V
A
I
FQ
G
T
L
L
-----------
F
M
Y
FRPSSSY------------S--L-----
D
---
Q
D
K
-----------
M
T
S
L
F
Y
T
L
V
V
P
M
L
--------
N
P
L
I
Y
S
L
R
N
K
D
V
K
E
A
L
K
K
L
K
--
N
KILF--------------------
40
Fugue
81.68
15%
-128
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVVR
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
PSTTVSKTETS
Q
V
A
P
A----
23
HHSearch
81.62
16%
-140
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
--------------------------------------------------------
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
K
------------
N
CC
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
-----------------------
21
HHSearch
78.39
16%
-135
- 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
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
A
PC----------
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
------------------------
27
HHSearch
77.82
14%
-138
- C4 -
3EML
13
ENLYS_BPT4
A:
[21-468]
-----------------------------------------------------
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
P
DCSH--------
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
--------------------
30
HHSearch
76.92
18%
-129
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-332]
---------------------------------------------------
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
LEW---------
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
--------------------
41
Fugue
76.38
15%
-116
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----MN
G
T
E
G
PNFYVP
F
S
N
K
T
-
G
V
V
R
-----------
S
P
F
E
A
P
Q
Y
YL
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
GM
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
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
QGSDFGPIFM
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
1
PsiBlast_PDB
75.96
21%
-122
- C4 -
2ZIY
2
OPSD_TODPA
A:
[64-327]
---------------------------------------------------------------------------------------------------
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
FGW
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
R
LN
A
K
E
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
FG
P
---
L
E
W
-----------
V
T
P
--
Y
A
A
Q
L
P
V
M
F
A
K
A
SAIH
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
--------------------
2
PsiBlast_PDB
75.93
21%
-119
- C4 -
4WW3
5
OPSD_TODPA
A:
[57-320]
---------------------------------------------------------------------------------------------------
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
FGW
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
FG
P
---
L
E
W
-----------
V
T
P
--
Y
A
A
Q
L
P
V
M
F
A
K
A
SAIH
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
--------------------
24
HHSearch
75.70
17%
-135
- C4 -
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
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
D
NL----------
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
-----------------------
31
HHSearch
74.51
16%
-117
- C4 -
1U19
14
OPSD_BOVIN
A:
[40-326]
-----------------------------------------------------
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
GSD---------
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
--------------------
5
PsiBlast_PDB
73.73
21%
-119
- C4 -
3AYN
3
OPSD_TODPA
A:
[65-328]
---------------------------------------------------------------------------------------------------
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
FGW
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
FG
P
---
L
E
W
-----------
V
T
P
--
Y
A
A
Q
L
P
V
M
F
A
K
A
SAIH
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
--------------------
3
PsiBlast_PDB
73.69
21%
-119
- C4 -
2Z73
5
OPSD_TODPA
A:
[65-328]
---------------------------------------------------------------------------------------------------
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
FGW
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
FG
P
---
L
E
W
-----------
V
T
P
--
Y
A
A
Q
L
P
V
M
F
A
K
A
SAIH
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
--------------------
4
PsiBlast_PDB
73.68
21%
-117
- C4 -
3AYM
3
OPSD_TODPA
A:
[65-328]
---------------------------------------------------------------------------------------------------
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
FGW
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
FG
P
---
L
E
W
-----------
V
T
P
--
Y
A
A
Q
L
P
V
M
F
A
K
A
SAIH
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
--------------------
22
HHSearch
73.12
17%
-126
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-495]
----------------------------------------------------
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
--------------------
28
HHSearch
72.04
14%
-134
- C4 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
-------------------------------------------------------
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
YLK--
K
FI
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
--------------------
32
HHSearch
71.99
15%
-137
- 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
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
Q
TCH---------
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
-----------------------
17
PsiBlast_PDB
70.78
21%
-136
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[52-302]
----------------------------------------------------------------------------------------------------------------------------------------
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
GQP
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
CV
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
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------
G
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
C
S
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
-----------------------
45
Fugue
69.48
20%
-143
- C2 -
4L9B
5
?
A:
[2-393]
VLKGINFP
E
N
E
A
S
I
L
D
L
A
M
Q
N
R
S
G
V
L
-----------
D
G
M
T
I
D
I
L
--
N
-
T
T
S
N
Q
L
A
L
F
H
G
T
A
V
L
Q
G
Y
G
I
E
I
T
G
APD
V
L
V
D
TTGQS
N
E
T
M
L
L
C
L
T
I
D
L
N
-
Q
V
N
V
PSG
T
A
V
D
Y
K
Q
I
R
L
E
F
L
D
V
P
T
L
L
K
Q
YW
R
-
D
H
S
L
H
D
L
I
-
D
P
R
R
V
I
S
M
P
L
------------
Y
W
I
T
F
G
Q
TG
T
T
P
L
Y
E
Q
I
K
S
N
Y
I
D
N
S
G
N
P
A
Y
G
I
A
A
R
C
E
N
F
N
H
F
I
N
KVA
V
Q
S
I
P
I
N
G
V
A
N
---
R
P
V
S
ST
A
S
Q
L
T
N
Y
K
V
W
R
N
P
Y
L
C
S
Q
DPRDKFAP
D
N
L
V
I
E
E
------
D
G
I
Y
R
------
I
D
---
I
S
G
--
S
I
N
I
A
N
Y
T
F
P
A
RVG
G
R
Y
F
Q
I
V
C
A
R
N
S
S
A
--
N
N
----
L
A
E
F
G
--
A
E
Q
H
L
P
P
S
G
V
W
T
---------
R
R
V
L
V
G
E
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------
G
M
---
T
E
Q
A
F
S
S
--------
V
A
T
---
I
S
L
F
K
G
D
N
F
-----------
F
L
Q
F
E
T
G
T
N
T
------------
S
------------
R
D
S
-----------
A
Y
N
N
G
Y
G
T
S
G
T
H
L
--------
R
N
F
S
Y
T
L
E
R
V
G
D
L
N
G
T
A
Y
Y
D
--
N
G
T
F
---------------------
15
PsiBlast_PDB
69.43
21%
-133
- C4 -
3PWH
1
?
A:
[52-302]
----------------------------------------------------------------------------------------------------------------------------------------
D
I
L
-
V
G
V
L
--
A
I
P
F
A
I
T
I
ST
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
GQP
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
CV
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
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------
G
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
C
S
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
-----------------------
16
PsiBlast_PDB
69.15
21%
-138
- C4 -
3REY
1
AA2AR_HUMAN
A:
[52-302]
----------------------------------------------------------------------------------------------------------------------------------------
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
GQP
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
CV
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
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
-------------
G
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
C
S
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
-----------------------