@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 : OR5V1_HUMAN: (2016-01-13 )
MERKNQTAITEFIILGFSNLNELQFLLFTIFFLTYFCTLGGNILIILTTVTDPHLHTPMYYFLGNLAFIDICYTTSNVPQMMVHLLSKKKSISYVGCVVQLFAFVFFVGSECLLLAAMAYDRYIAICNPLRYSVILSKVLCNQLAASCWAAGFLNSVVHTVLTFCLPFCGNNQINYFFCDIPPLLILSCGNTSVNELALLSTGVFIGWTPFLCIVLSYICIISTILRIQSSEGRRKAFSTCASHLAIVFLFYGSAIFTYVRPISTYSLKKDRLVSVLYSVVTPMLNPIIYTLRNKDIKEAVKTIGSKWQPPISSLDSKLTY
Atome Classification :
(20 SA)
-----------.........10.------.......20----........30----------.........40-.........50...--.....60--------......--..70......-..80.-....-...90........100---------------...----.....------.110.......120...----.----...130....---.---...140----.......150.......160------------------------........170.......180.....---------..190-----....--.....200....--....210.......------220......----.230-------------------.--------.......240..-.----------....250.......260.-----------.----------.---.---------...270-------.......280...---....290......-------------.300...-....310.......320--------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------MERK
N
Q
T
A
I
T
E
F
------
I
ILGFS
N
L
N
----
E
L
Q
F
L
L
F
T
I
-----------
F
F
L
T
Y
F
C
TLG--G
N
I
L
I
I
L
TTVTDPH--LH
T
P
M
Y
Y
--------
F
LGN
L
A
--
F
I
D
I
C
YTTSN-
V
P
Q
M
M
-
V
H
L
L
-SKKKS
I
S
Y
V
G
C
V
V
Q
-----------------
L
F
A
----
F
V
F
F
V------G
S
E
C
L
L
L
A
A
M
A
YD
R
Y
I
A
----
I
----CN
P
L
-
R
Y
S
V
I
---
L
---
S
K
V
L
C
N
----
Q
L
A
A
S
C
W
A
A
G
F
L
N
S
V
V
H
T
V
-------------------------
L
T
F
C
L
PFCGNN
Q
I
N
Y
F
F
CDIPP
L
L
I
L
---------SCG-------NTS
V
--
N
E
L
A
L
L
-ST
G
V
F
--IG
W
T
P
F
L
C
I
V
L
S
Y
I
------
C
I
I
S
T
I
L
R
I----QSS--------------------E--------
G
R
R
K
A
F
S
T
C
A
S
H
-
L
----------
A
I
V
F
L
F
Y
G
S
A
I
F
T
Y
V
R
PI-----------S----------T---Y---------SL
K
K
D
R
-------
L
V
S
V
L
Y
S
V
V
T
P
M
L
---
N
P
I
I
Y
T
LRN
K
D
I
K
-------------
E
A
V
K
T
IG-SKWQP
P
I
S
S
L
DSKLTY---------------------------------------------------------------------------------------------------------------
34
HHSearch
86.36
18%
-134
* C4 *
2KS9
1
NK1R_HUMAN
A:
[34-326]
----------------------------------------------
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
GDSSDRYH
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
PD-
L
YLKK-----
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
---------------------------------------------------------------------------------------------------------------
37
HHSearch
85.89
18%
-134
- C4 -
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
PLE
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
---------------------------------------------------------------------------------------------------------------
44
Fugue
85.09
18%
-113
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYV
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
DYYTPH
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
DFGPIFM
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----------------------------------------------------------------------------------------------------------
43
Fugue
81.62
18%
-110
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYV
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
KK
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
DYYTPH
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
AAQQ
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
Q
G
S
DFGPIFM
T
I
P
A
F
F
A
K
T
S
A
V
Y
---
N
P
V
I
Y
I
M
M
N
K
Q
F
R
-------------
N
C
M
V
T
T
L
-
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA----------------------------------------------------------------------------------------------------
35
HHSearch
79.76
16%
-120
- C4 -
1U19
14
OPSD_BOVIN
A:
[42-330]
----------------------------------------------
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
--------------------
Q
QESA
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
G
D
D
E
A
S
T
T
V
---------------------------------------------------------------------------------------------------------------
51
Fugue
75.64
15%
-129
- 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
DD
R
Y
I
C
D
R
F
Y
PN
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
-
I
GRNTNGVIT
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
----------
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
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
31
HHSearch
68.91
16%
-125
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
--------------------------------------------
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
RTQ
V
IQE
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
---------------------------------------------------------------------------------------------------------------------------
46
Fugue
67.62
19%
-147
- C3 -
4Q6O
8
?
A:
[21-437]
-----------
M
I
E
K
A
P
T
N
V
E
D
R
DK
A
P
H
L
L
L
L
A
G
I
Q
G
D
----
E
P
G
G
F
N
A
T
N
-----------
L
F
L
M
H
Y
S
V
L
K
--
G
-
L
V
E
V
V
P
V
L
N
K
P
S
--
M
L
R
N
H
R
G
--------
L
Y
G
D
M
N
RK
F
A
A
L
D
K
N
D
P
E
-
Y
P
T
I
Q
E
I
K
S
L
-
I
A
K
P
S
I
D
A
V
L
H
L
H
D
G
G
G
YYRPVYVDAMLNPK
R
W
G
----
N
C
F
I
I
DQDEVK
G
A
K
F
P
N
L
L
A
F
A
N
N
T
I
E
S
----
I
N
A
H
L
L
H
P
I
E
E
Y
H
L
K
---
N
---
T
R
T
A
Q
G
D
T
E
M
Q
K
A
L
T
F
Y
A
I
N
Q
K
K
S
A
F
A
N
E
-------------------------
A
S
K
E
L
P
--
L
A
S
R
V
F
Y
H
L
Q
A
I
E
G
L
L
N
Q
L
NI
P
F
K
R
DF
D
L
N
-------
P
N
S
V
--
H
A
L
I
N
--
D
K
N
L
W
--
A
K
I
S
S
L
P
K
M
P
L
F
N
L
RPKLNH
F
P
L
P
H
N
T
K
I
----
P
Q
I
--------------------
P
--------
I
E
S
N
A
Y
I
V
G
L
V
K
N
K
----------
Q
E
V
F
L
K
Y
G
N
K
L
M
T
R
L
S
P
F
-----------
Y
I
E
FDPSLE
E
V
K
---
M
---------
Q
I
D
N
K
D
-------
Q
M
V
K
I
G
S
V
V
E
V
K
E
---
S
F
Y
I
H
A
M
D
N
I
R
A
N
VIGFSVSNENKPN
E
A
G
Y
T
I
K
-
F
K
D
F
Q
K
R
F
S
L
D
K
Q
E
R
I
Y
R
I
E
F
Y
KNNAFS
G
M
I
L
V
K
F
V-------------------------------------------------------------------------------------------
27
HHSearch
64.25
21%
-139
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[42-236]
----------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
52
Fugue
63.74
12%
-149
- C2 -
1A6Q
3
PPM1A_HUMAN
A:
[2-368]
---GAFLDKPK
M
E
K
H
N
A
Q
G
Q
G
N
G
------
L
R
Y
G
L
S
S
M
Q
GWRV
E
M
E
D
A
H
T
A
V
I
G
LPSGLES
W
S
F
F
A
V
Y
D
G
H
A
G
--
S
Q
V
A
K
Y
C
C
E
H
L
L
D
H
--
I
T
N
N
Q
D
F
KGSAGAPS
V
E
N
V
K
N
--
G
I
R
T
G
F
L
E
I
D
-
E
H
M
R
V
-
M
S
E
K
-
K
H
G
A
D
R
S
G
S
T
A
V
G
V
-----------------
L
I
S
PQ
H
T
Y
F
I
N
C
------
G
D
S
R
G
L
L
C
R
N
R
K
V
H
F
F
T
Q
D
H
K
P
----
S
N
P
L
-
E
K
E
R
I
---
Q
N
A
G
G
S
V
M
I
Q
----
R
V
N
G
S
-------
L
A
V
S
R
A
L
-------------------------
G
D
F
D
Y
K
C
V
H
G
K
G
P
T
E
Q
L
V
S
P
E
P
E
V
H
D
---------
I
E
R
-------
S
E
E
D
--
D
Q
F
I
I
L
A
C
D
G
I
W
D
V
M
G
N
E
E
L
C
D
F
V
R
S
R
L
------
E
V
T
D
D
L
E
K
V
----
C
N
E
--------------------
V
--------
V
D
T
C
L
Y
K
G
S
R
D
N
-
M
----------
S
V
I
L
I
C
F
P
N
A
P
K
V
S
P
E
A
V
-----------
K
----------
K
---
E
---------
A
E
L
D
K
Y
-------
L
E
C
R
V
E
E
I
I
K
G
V
P
---
D
-------
L
V
H
V
M
-------------
R
T
L
A
S
E
N
-
I
P
S
L
P
P
G
G
E
L
A
S
K
R
N
V
I
E
A
V
Y
N
R
L
N
PY----------------------------------------------------------------------------------------------------
28
HHSearch
62.96
20%
-158
- C4 -
3EML
8
ENLYS_BPT4
A:
[22-221]
---------------------------------------------
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
VP
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
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
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
---------------------------------------------------------------------------------------------------------------
25
HHSearch
61.74
19%
-144
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
----------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
32
HHSearch
61.25
20%
-153
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
-----------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
29
HHSearch
59.24
17%
-150
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-239]
-------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------
26
HHSearch
56.37
18%
-142
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
----------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
55.87
28%
-141
- C4 -
3PWH
1
?
A:
[23-133]
--------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
54.69
28%
-144
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[23-133]
--------------------------------------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
54.09
28%
-137
- C4 -
3VG9
4
?
A:
[23-133]
--------------------------------------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
36
HHSearch
52.78
19%
-153
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[63-250]
--------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
50.76
30%
-111
- C4 -
2RH1
5
ADRB2_HUMAN (first)
A:
[57-154]
--------------------------------------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------