@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 : O12D2_HUMAN: (2016-01-11 )
MLNTTSVTEFLLLGVTDIQELQPFLFVVFLTIYFISVTGNGAVLMIVISDPRLHSLMYFFLGNLSYLDICYSTVTLPKMLQNFLSTHKAISFLGCISQLHFFHSLGSTESMLFAVMAFDLSVAICKPLRYTVIMNPQLCTQMAITIWVIGFFHALLHSVMTSRLNFCGSNRIHHFLCDIKPLLKLACGNTELNQWLLSTVTGTIAMGPFFLTLLSYFYIITYLFFKTRSCSMLCKALSTCASHFMVVILFYAPVLFTYIHPALESFMDQDRIVAIMYTVVTPVLNPLIYTLRNKEVKGALGRVIRRL
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.....-----------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MLN
T
-------
T
S
V
T
E
F
L
L
LGVT
D
I
Q
E
L
Q
P
----------------
F
---------------
L
F
V
V
F
L
T
I
Y
F
I
S
VTGN
G
A
V
L
M
I
V
ISDP
R
L
H
S
L
M
Y
F
F
LGN
L
S
Y
L
D
I
C
Y
S---TV
T
-
L
P
K
M
L
Q
N
F
L
-
S
T
H
K
A
I
S
F
------
L
G
C
I
S
Q
L
H
F
F
H
SLGS
T
E
S
M
L
F
------------------
A
V
M
A
F
--
D
L
S
V
A
I
CKP
L
R
Y
T
V
I
---M
N
P
Q
L
C
T
Q
M
A
I
T
I
W
-----
V
I
G
F
F
H
A
L
L
H
S
V
M
T
S
R
L
N
FCGSN
R
I
H
H
F
L
C
D
I
K
P
L
L
K
-LACG-------
N
---
T
E
L
N
Q
-
W
L
L
S
TVTGTI
A
M
G
P
F
F
L
T
L
L
S
Y
F
Y
I
I
T
Y
L
F
FKTR
S
C
--------------------
S
--------
M
--------------
L
C
K
A
L
S
T
C
A
S
H
F
M
V
V
I
L
F
Y
A
P
V
L
F
T
Y
I
H
P
A
L
--
E
---
S
---
F
----MD-Q--
D
R
I
V
A
I
M
Y
T
V
V
T
P
V
L
N
P
L
I
Y
T
LRNK
E
V
K
G
A
L
G
R
V
I
R
RL-----------------------------------------------
39
Fugue
82.27
17%
-139
- C4 -
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
PFEAPQYYLAE
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
TQK
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
KNPSTTVSKTETS
Q
V
A
P
A-----------------------------
33
HHSearch
81.52
15%
-135
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-332]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------
40
Fugue
80.41
18%
-114
- C4 -
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
EAPQYYLAE
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
DYY
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
QQQESA
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
KNPLGDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------
31
HHSearch
74.53
16%
-135
* C4 *
2KS9
1
NK1R_HUMAN
A:
[35-322]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---
P
---
D
LYL-
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
-----------------------------------------------
27
HHSearch
74.52
15%
-134
- 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
R
T
QVI
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
-----------------------------------------------
30
HHSearch
71.83
15%
-118
- C4 -
1U19
14
OPSD_BOVIN
A:
[42-324]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
Q
---
G
SD-
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
-----------------------------------------------
25
HHSearch
62.00
19%
-125
- C4 -
3EML
8
ENLYS_BPT4
A:
[23-221]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------
28
HHSearch
58.89
17%
-128
- 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
-----------------------------------------------
41
Fugue
58.78
20%
-93
* C3 *
4RKN
14
MCCA_WOLSU
A:
[43-702]
MQMT
K
E
A
R
E
I
I
A
HPKGTKESRGVIS
L
Q
D
Y
I
V
E
E
Q
A
M
Y
D
W
L
F
K
NHPIFTKYGGKTV
G
K
L
V
V
K
D
RGEEWIEEGR
G
N
D
F
S
K
A
SKRSGGEGFSSMMYRVARNSTLQYPNKFIG
P
E
K
C
G
E
CH
P
A
Q
Y
E
T
W
S
R
SRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIR
T
K
F
G
F
F
D
AWLLRGT
Y
H
V
E
GGLLKNGT
G
Q
I
V
A
G
GNQWQRTWALNLS
P
E
V
A
K
K
I
K
K
W
V
PDFPVTLEEYGDNGGYVRG
L
A
S
Y
AAKYKKSMSFQASTSYCEVCH
P
W
K
F
DFKN
E
S
E
F
Y
A
A
LGN
A
K
E
L
Q
K
H
TISKGVS
C
E
E
C
H
GAGGHLEGGS
G
L
L
I
S
NCERCHQR
F
S
Y
S
P
D
L
M
R
N
N
PLNAGKPDLALSSKFKSM
G
P
G
C
GS
E
G
S
Q
-------
T
Y
F
T
A
H
Y
E
K
G
M
R
C
A
T
C
H
D
P
----------------
H
--------------------------
D
V
T
G
N
------
V
T
G
E
K
G
I
K
G
V
S
Y
N
--
S
E
Q
G
Y
L
S
S
L
Y
S
---
K
----
P
K
L
K
K
E
C
T
-
D
C
H
K
E
Q
A
Y
------
I
Q
S
K
A
D
T
H
------
S
K
N
S
C
A
S
------------------
C
H
M
P
F
--
M
M
S
C
E
-----------------------------------
N
F
Y
A
I
Q
F
Q
D
Q
A
G
---
F
D
T
Q
R
R
A
H
I
W
K
I
D
V
D
P
A
R
K
S
L
V
A
G
-------
S
---
T
S
K
D
P
------
R
D
G
K
---
D
W
H
F
E
R
N
E
E
G
R
N
F
V
D
L
M
W
A
C
A
R
T
T
--------------------
W
--------
A
--------------
D
K
D
Q
A
E
A
K
G
C
H
S
P
V
V
S
E
L
K
E
T
L
H
F
K
D
Q
K
Q
V
Y
--
N
---
E
---
V
----
M
G
-
W
--
Q
T
P
V
K
D
K
F
T
Q
V
K
V
G
I
Q
G
L
Y
S
L
L
E
V
K
K
L
A
P
S
D
K
T
R
V
Y
E
L
I
E
K
A
Q
D
T
V
D
L
I
E
K
D
GSWGMHG
F
K
Y
T
K
Q
R
L
D
A
A
V
E
Y
I
N
E
A
Q
R
I
M
K
K
S
L
21
HHSearch
57.12
16%
-121
- 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
-----------------------------------------------
46
Fugue
56.90
11%
-146
- C3 -
1Q0O
1
?
A:
[4-359]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
I
P
K
P
VAPAPD
I
L
R
C
A
Y
A
E
L
V
V
T
D
L
A
K
S
R
N
----------------
F
---------------
Y
V
D
V
L
G
--
L
H
V
S
Y
E
D
E
N
Q
I
Y
L
R
S
F
E
E
F
I
H
H
N
L
V
L
T
K
G
P
V
A
A
L
K
A
M
A
F
R
V
RT
P
E
D
-
V
D
K
A
E
A
Y
Y
Q
-
E
L
G
C
R
T
E
R
R
KDGFV
K
G
I
G
D
A
L
R
V
E
D
P
L
G
F
P
Y
E
F
F
F
E
T
T
H
V
ERLHMRYDLYSAG
E
L
V
R
L
--
D
H
F
N
Q
V
T
P
D
V
P
R
G
R
K
---
Y
L
E
D
L
G
F
R
V
T
E
D
I
Q
D
DEGT
T
Y
A
A
W
M
H
R
K
G
T
V
H
D
T
A
L
T
G
G
N
G
P
R
L
H
H
V
A
F
S
T
H
E
K
H
N
-
I
I
Q
I
-------
C
---
D
K
M
G
A
--
L
R
I
S
D
R
I
E
R
G
P
G
R
H
G
V
S
N
A
F
Y
L
Y
I
L
D
P
D
N
H
-
R
I
E
I
--------------------
Y
--------
T
--------------
Q
D
Y
Y
T
G
D
P
D
N
P
T
I
T
W
N
V
H
D
N
Q
R
R
D
W
W
G
N
P
V
V
--
P
---
S
---
W
----
Y
T
-
E
--
A
S
K
V
L
D
L
D
G
N
V
Q
E
I
I
E
R
T
D
D
S
E
L
E
V
T
I
-
G
A
D
G
F
S
F
T
R
A
GDEDGSYHGQASKGF--------------------------------
22
HHSearch
56.75
18%
-118
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------
26
HHSearch
55.47
15%
-113
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------
23
HHSearch
55.38
15%
-119
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[42-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------
20
PsiBlast_PDB
54.66
26%
-141
- C4 -
4EIY
18
AA2AR_HUMAN (first)
A:
[37-158]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
P
K
E
G
K
N
H
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
A
D
L
E
--------------------
D
--------
N
--------------
W
E
T
L
N
D
N
L
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
A
--
L
---
D
---
A
----
Q
K
-
M
--
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
-----------------------------------------------
19
PsiBlast_PDB
53.68
26%
-143
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[12-133]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------
18
PsiBlast_PDB
53.46
26%
-146
- C4 -
3VG9
4
?
A:
[12-133]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------
12
PsiBlast_PDB
53.22
24%
-138
- C4 -
3PWH
1
?
A:
[12-133]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------
14
PsiBlast_PDB
53.06
24%
-139
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[12-133]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------
13
PsiBlast_PDB
52.85
24%
-138
- C4 -
3REY
1
AA2AR_HUMAN
A:
[12-133]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------