@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 : AGRA1_HUMAN: (2016-01-08 )
MDLKTVLSLPRYPGEFLHPVVYACTAVMLLCLLASFVTYIVHQSAIRISRKGRHTLLNFCFHAALTFTVFAGGINRTKYPILCQAVGIVLHYSTLSTMLWIGVTARNIYKQVTKKAPLCLDTDQPPYPRQPLLRFYLVSGGVPFIICGVTAATNIRNYGTEDEDTAYCWMAWEPSLGAFYGPAAIITLVTCVYFLGTYVQLRRHPGRRYELRTQPEEQRRLATPEGGRGIRPGTPPAHDAPGASVLQNEHSFQAQLRAAAFTLFLFTATWAFGALAVSQGHFLDMVFSCLYGAFCVTLGLFVLIHHCAKREDVWQCWWACCPPRKDAHPALDANGAALGRAACLHSPGLGQPRGFAHPPGPCKMTNLQAAQGHASCLSPATPCCAKMHCEPLTADEAHVHLQEEGAFGHDPHLHGCLQGRTKPPYFSRHPAEEPEYAYHIPSSLDGSPRSSRTDSPPSSLDGPAGTHTLACCTQGDPFPMVTQPEGSDGSPALYSCPTQPGREAALGPGHLEMLRRTQSLPFGGPSQNGLPKGKLLEGLPFGTDGTGNIRTGPWKNETTV
Atome Classification :
(20 SA)
---.........10........20..--.....-----.30...----.....40........50........60........70.----.---.--.------.------....80..---......90........100.....--..110....---...120.......130.......140-...-......150........160.......170.-------.--------.--.-...180----------.........190----------........200.......210.......220.......230.......240.......----250....-----...260.......270......-----.280---........---.290.......300.......310......------.320........330.......340......-------.350.---......360.......370.......380.......--390....-----...400....------..-------------.410.......420--.......430.......440......--------.450......--.460.......470...-....480........490.......500.......510......--------...520------------........530.......540.......550----........560--------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---M
D
L
K
T
V
LSLPRY
P
G
E
F
L
H
P
V
V
Y
A
--
C
T
A
V
M
-----
L
L
C
L
L
A
----
S
F
V
T
Y
I
V
H
Q
S
A
IRISRKG
R
H
T
L
L
N
F
C
F
H
A
A
L
T
F
T
V
F
-A----G---G--I------N------RTKY
P
I
L
C
---
Q
A
V
G
I
V
L
H
Y
S
T
L
S
T
M
L
W
I
G
V
T
A
R
N
--
I
Y
K
Q
V
TKKA---
P
L
C
LDTDQPPYPR
Q
P
L
L
R
F
Y
L
VSG---G
V
P
-
F
I
I
CGVTA-ATNIRNYGTEDED
T
A
Y
C
W
M
AWE-------P--------S--L-GAFY------------
G
P
A
A
I
I
T
L
V
T
C
-----------
V
Y
F
L
G
T
Y
V
Q
L
R
RHPGRR
Y
E
LRTQ
P
E
E
Q
RRLATPEGGRGIRPGTPPAHDAP
G
A
S
V
L
QNE----
H
S
F
Q
A
Q
L
-----
R
A
A
A
F
T
L
F
L
F
T
A
T
W
A
F
G
A
L
AVS-----Q
G
-----
H
F
L
D
M
V
F
S
---
C
L
Y
G
A
F
C
V
T
L
G
L
F
V
L
I
H
H
CA
K
R
E
D
V
W
Q
C
W
W
------ACC-PPRKDAHPALDANGAALG
R
A
A
CLHSPG-------LGQPR---GFAHPPGPC
K
M
TNLQAAQGHASCLSPAT
P
C
C
A
KMHC--EPLTAD
E
-----
A
H
V
H
L
QEEGA------FG-------------HDP
H
L
H
G
C
LQGRTK--PPYFSRHPAEEP
E
Y
A
Y
HIPSSLDGSP--------RSSRTDSPPS--SLDGPAG
T
H
T
L
A
C
CTQG-DPF
P
M
-
V
TQPEGSDGSP
A
L
YSCPTQPGREAALG
P
G
H
--
L
E
M
L
R
R
--------TQSLP-------------FGGPSQNGLPKGKLLEGLPFGTDGTGNIRT-----GPWKNETTV----------
38
Fugue
81.58
19%
-67
- C4 -
4R12
6
?
A:
[15-587]
-----
Y
T
T
L
Y
S
------------
S
Y
P
--
C
T
K
I
M
T
SD
G
Q
F
G
C
S
S
K
HG
G
N
S
G
I
L
Y
L
I
D
------
D
D
E
S
Y
N
N
Y
F
S
Y
S
Q
Q
K
D
I
I
V
V
L
D
-
T
----
N
---
Y
--
F
------
N
------
S
T
S
V
L
N
L
H
NKS
K
I
E
G
I
I
V
L
T
D
T
K
K
T
Y
P
Y
---
S
P
D
S
--
R
Y
P
--
N
K
I
Y
---
G
L
Y
P
N
S
N
L
E
W
N
P
N
--
A
D
G
F
T
Y
F
S
F
---
P
F
P
-
I
F
A
I
D
N
Q
T
-
S
V
A
I
R
N
V
S
K
H
N
R
D
G
Q
Y
--
P
A
W
G
-------
A
--------
E
--
L
-
D
S
F
M
------------
Q
G
A
--
I
N
S
E
T
C
-----------
L
R
R
-------------------------
G
F
C
E
P
V
G
G
Q
S
I
W
S
S
F
S
S
K
I
D
K
E
K
E
I
I
L
V
M
L
PF
D
T
T
A
F
F
R
D
L
SIGAD
Q
S
S
F
A
T
V
T
L
L
S
V
I
K
S
L
A
A
V
D
R
S
-----
S
W
-----
N
K
-
E
V
V
F
A
---
F
W
N
A
E
R
W
G
Y
V
G
S
E
Y
F
I
N
D
L
L
N
----
F
Q
C
K
T
YNSDKS
K
C
I
D
P
P
R
A
D
L
A
F
Q
T
Q
I
N
F
T
K
I
S
T
I
I
E
L
N
Q
I
G
R
A
Q
L
D
KN
L
G
K
Y
S
---
L
Y
L
H
T
A
G
T
K
T
S
S
V
T
D
I
L
D
Q
V
A
S
S
Y
E
N
S
T
-----
I
T
F
--
K
P
T
T
Q
T
E
LPPS
S
S
M
S
F
L
K
K
T
N
K
I
P
V
V
V
I
T
D
-------------
H
D
Y
K
Y
S
N
P
Y
Y
G
Y
E
Q
--
D
D
N
E
N
V
L
G
S
T
L
N
D
I
V
Y
I
L
S
T
F
I
D
R
I
A
--------
G
G
N
N
N
----
I
--
T
I
D
K
N
F
I
N
I
L
Y
P
C
F
T
S
S
I
T
C
F
N
I
-
L
M
K
T
Y
P
L
N
E
V
P
N
F
Y
S
S
V
F
G
T
S
L
T
T
T
L
S
P
Y
E
--
T
K
L
I
H
R
L
L
Y
S
I
T
QY
N
S
T
L
T
NCTSDNDCPS
S
L
C
Y
S
G
Q
C
V
S
S
N
T
H
L
H
N
A
L
S
L
G
F
D
F
D
T
S
K
N
V
W
K
I
VNSS
Y
P
I
F
T
E
S
N
W
D
Y
T
A
L
K
V
F
K
I
39
Fugue
62.63
13%
-69
- C3 -
3VEN
6
TOBZ_STRSD
A:
[6-576]
-----
H
M
R
V
L
G
L
N
G
W
P
R
D
F
H
D
--------
A
S
A
A
-----
L
L
V
--
D
----
G
R
I
A
A
F
A
E
E
E
R
L
T
R
K
K
H
G
Y
N
T
A
P
----
V
Q
A
A
A
F
C
L
A
-
Q
----
A
---
G
--
L
------
T
------
V
D
D
L
D
A
V
A
F
G-
W
D
L
P
A
M
Y
R
E
R
L
G
G
W
P
H
S
D
S
E
A
L
D
I
--
L
L
P
R
D
V
F
P
R
---
R
T
D
P
P
L
H
F
V
Q
H
H
L
A
H
A
A
S
A
Y
Y
F
S
G
ED
R
G
A
V
-
L
I
V
D
G
Q
G
E
E
E
C
V
T
L
A
H
A
E
G
G
K
I
T
V
L
D
T
V
P
G
A
-------
W
--------
S
--
L
-
G
F
F
Y
E
H
V
S
E
Y
T
GLGGD
N
P
G
K
L
M
G
L
A
A
H
G
TTVDETLSA
F
A
F
D
S
D
G
Y
R
L
N
L
I
D
P
Q
A
R
D
P
E
D
W
D
E
Y
S
V
T
E
R
A
W
F
A
H
L
E
R
I
Y
R
L
P
P
N
E
F
V
R
R
Y
D
P
A
K
G
R
V
----
V
R
D
T
R
R
D
-----
P
Y
E
Y
R
D
L
A
A
T
A
Q
A
A
L
E
R
A
V
F
G
L
-----
A
D
-----
S
V
L
A
R
T
G
E
R
T
L
F
V
A
G
G
V
G
L
N
A
T
M
N
G
K
L
L
T
R
S
T
V
D
K
M
F
-------------------
V
P
P
V
A
S
D
I
G
V
S
L
G
A
A
A
A
V
A
V
E
L
-------
G
D
R
I
A
P
MG
D
T
A
A
W
G
P
E
F
S
P
D
Q
V
R
A
A
L
D
R
T
G
L
A
Y
R
E
P
A
N
L
E
R
E
V
A
--
A
L
I
A
S
G
K
-----
V
V
G
W
A
Q
G
R
G
E
------
V
G
PRALGQ
R
S
L
L
G
S
A
H
S
P
T
M
R
D
H
I
N
L
R
V
K
DR
E
W
W
R
P
F
A
P
S
M
L
R
S
V
S
D
Q
V
L
E
V
D
A
D
F
P
YMI
M
T
T
K
V
R
A
A
Y
A
E
R
L
P
S
VV
H
E
D
W
S
T
R
P
Q
T
V
T
E
A
S
N
P
-
R
Y
H
R
M
-
L
T
E
L
G
D
L
V
G
D
P
V
C
L
N
T
S
F
N
D
R
G
E
P
I
V
S
S
P
A
D
A
L
L
T
F
S
R
--------
L
P
------------------------------
I
D
A
L
A
V
G
P
Y
L
V
T
K
D
L
R
-----
H
------------------
31
Fugue
58.31
19%
-56
- C6 -
4CZB
1
NAH1_METJA
A:
[1-415]
M
E
L
M
M
A
I
G
Y
L
G
L
A
L
V
L
G
S
L
V
A
K
I
A
E
K
L
K
I
P
D
I
P
-----
L
L
L
L
L
G
----
L
I
I
G
P
F
L
Q
I
----
I
P
S
D
S
A
M
E
I
F
E
Y
A
G
P
I
G
L
I
F
I
L
L
-
G
----
G
---
A
--
F
------
T
-------
M
R
I
S
L
L
K
---
R
V
I
K
T
V
V
R
L
D
T
-
I
T
F
L
I
T
L
L
I
S
G
F
--
I
F
N
M
V
L
N
-------------
L
P
Y
T
-----------
S
---
P
V
G
-
Y
L
F
G
A
I
T
A
-
A
T
--------
D
P
A
T
L
---
I
P
V
F
-------
S
--------
R
--
V
-
R
T
N
P
------------
E
V
A
I
T
L
E
A
E
S
I
-----------
F
N
D
P
L
G
I
V
S
T
S
V
I
L
G
L
-
F
G
L
F
S
S
S
N
P
L
I
D
L
I
T
L
A
G
G
-
A
I
V
V
G
L
L
L
A
K
I
Y
E
K
I
I
I
H
C
D
F
----
H
E
Y
V
A
P
L
-----
V
L
G
G
A
M
L
L
L
Y
V
G
D
---
D
L
L
P
S
I
-----
C
G
-----
Y
G
F
S
----------
G
Y
M
A
V
A
I
M
G
L
Y
L
G
D
A
L
F
R
A
D
D
I
-----------------
D
Y
K
Y
I
V
S
F
C
D
D
L
S
L
L
A
R
V
F
I
F
V
F
L
G
-------
A
C
--------------
I
K
L
S
M
L
E
N
Y
F
I
P
G
L
L
V
A
L
G
S
I
F
----
L
A
--
R
P
L
G
V
F
L
-----
G
--------------------------------------
L
I
G
---------
S
K
H
S
F
K
E
K
L
Y
F
A
L
E
------
G
P
--------
R
G
----
V
V
P
A
--
A
L
A
V
T
V
G
I
E
I
L
K
--------------
N
A
D
K
I
P
A
S
I
T
K
Y
I
T
P
T
D
I
A
G
T
I
I
I
G
--
T
--
F
M
T
I
L
L
--------
S
V
I
L
E
-------------
A
S
W
A
G
M
L
A
L
---
K
L
L
G
E
-------------------------------------
37
Fugue
56.04
14%
-70
- C2 -
1P5H
-
FCTA_OXAFO
A:
[2-428]
TKP
L
D
G
I
N
V
L
D
F
T
H
--------
V
Q
A
G
--
P
A
C
T
Q
-----
M
M
G
F
L
G
----
A
N
V
I
K
I
E
R
R
G
S
G
D
M
T
R
G
W
L
Q
D
K
P
N
-------
V
D
S
L
Y
-
F
----
T
---
M
--
F
------
N
------
C
N
K
R
S
I
E
L
---
D
M
K
T
---------------
P
E
G
K
E
--
L
L
E
Q
M
I
K
K
A
---
D
V
M
V
E
N
F
G
P
G
A
L
D
R
M
G
F
T
W
E
Y
I
Q
E
---
L
N
P
R
V
I
L
A
S
V
K
G
-
Y
A
E
G
H
A
N
E
H
L
K
--------
V
Y
E
-------
N
--------
V
--
A
-
Q
C
S
G
------------
G
A
A
A
T
--------------------------------------------------
T
G
F
W
D
G
P
P
T
V
S
G
A
A
L
G
D
S
N
S
G
M
H
L
M
----
I
G
I
L
A
A
L
-----
E
M
R
H
K
T
---------------
G
-----
R
G
-----
Q
K
V
A
V
A
------
M
Q
D
A
V
L
N
L
V
R
I
K
L
R
D
Q
Q
R
L
E
R
T
G
I
L
A
E
Y
P
------
Q
A
Q
-
P
-----
N
F
A
F
D
R
D
G
N
P
L
S
F
D
N
I
T
S
V
P
R
-------
G
G
N
A
G
---
G
G
G
Q
P
G
W
M
L
K
C
K
G
W
E
T
D
A
D
S
Y
V
Y
F
T
I
A
A
N
M
W
P
Q
I
C
D
M
I
D
K
P
E
W
K
D
-----
D
P
A
Y
N
T
F
E
G
R
------
V
D
-------------
K
L
M
D
I
F
S
F
I
E
T
-------
K
F
A
D
K
D
K
F
E
V
T
E
W
A
A
-
Q
Y
G
I
P
C
G
P
--------
V
M
S
M
K
E
L
A
H
D
--
P
S
L
Q
K
V
G
T
V
V
E
V
V
D
E
I
R
-
G
N
H
L
T
-
V
G
A
P
F
K
F
S
G
F
Q
P
E
I
T
R
A
P
L
L
G
E
H
---------------------------------------------------
T
D
E
V
L
K
E
L
-----
G
L
D
D
A
K
I
-----
K
E
L
H
A
K
Q
V
V
----------
16
HHSearch
52.43
8%
-116
- C6 -
2Z73
5
OPSD_TODPA
A:
[36-329]
------------------
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
RD
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
---
L
N
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
FGPL
E
W
V
T
P
Y
A
A
---
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
------
Q
T
F
-
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
-------
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
HHSearch
47.83
13%
-122
- C6 -
1U19
11
OPSD_BOVIN
A:
[77-321]
-------------------------------------------------------------------
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
TPHEETN
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
Q
G
-----
S
D
F
G
P
I
F
M
---
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
------
T
T
L
-
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
42.99
10%
-120
- C6 -
3UON
2
ACM2_HUMAN (first)
A:
[32-159]
-------------------------
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
GY--
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
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
------
V
A
G
-
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
-------
Q
T
P
N
R
---
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
P
P
P
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
--
I
I
T
W
A
P
Y
-----
N
V
M
V
L
I
N
T
F
C
------
A
P
-------------
C
I
P
N
T
V
W
T
I
G
Y
W
L
C
--
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
--------
M
---------------------------------------------------------------------------------------------------------------------------------------------------------
19
HHSearch
40.43
9%
-114
- C6 -
3V2Y
1
ENLYS_BPT4
A:
[68-250]
---------------------
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
SGATT
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
YH
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
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
------
N
S
L
-
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
-------
A
K
R
V
I
---
T
T
F
R
T
G
T
W
D
A
Y
A
S
R
S
S
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
--
A
P
L
F
I
L
L
-----
L
L
D
V
G
C
K
V
K
T
------
C
D
-------------
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
--
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
--------
P
L
--------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
40.27
7%
-116
- C6 -
2RH1
5
ADRB2_HUMAN (first)
A:
[51-176]
-----------------------------
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
KM--
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
M
V
F
Q
M
G
------
E
T
G
-
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
-------
W
Y
N
Q
T
---
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
K
F
C
L
K
E
H
K
A
L
K
T
L
G
I
I
M
--
G
T
F
T
L
C
W
-----
L
P
F
F
I
V
N
I
V
H
------
V
I
-------------
Q
D
N
L
I
R
K
E
V
Y
I
L
L
N
--
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
R
S
P
D
F
R
I
A
F
Q
E
--------
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
39.84
9%
-108
- C6 -
2KS9
1
NK1R_HUMAN
A:
[41-164]
-------------------------
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
G
D
S
S
D
R
Y
H
E
Q
V
S
A
K
R
K
V
V
K
M
M
I
V
V
V
C
T
F
A
I
C
W
L
P
F
----
H
I
F
F
L
L
P
-----
Y
I
N
P
D
L
Y
L
K
K
F
I
Q
Q
V
Y
L
A
I
M
W
L
-----
A
M
-----
S
S
T
M
Y
N
P
I
---
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
C
P
F
I
S
A
G
D
Y
E
G
------
L
E
M
-
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
I
S
T
V
V
G
-------
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
38.37
8%
-111
- C6 -
3RZE
2
ENLYS_BPT4 (first)
A:
[18-142]
----------------------------
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
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
------
L
R
M
-
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
-------
R
V
I
T
T
---
F
R
T
G
T
W
D
A
Y
L
H
M
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
--
F
I
F
F
M
V
I
-----
A
F
C
K
N
C
C
N
E
H
------
L
H
-------------
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
--
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
HHSearch
38.06
9%
-87
- C6 -
3ODU
4
CXCR4_HUMAN (first)
A:
[52-201]
--------------------
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
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
------
G
E
T
-
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
-------
R
W
Y
N
Q
---
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
S
K
G
H
Q
K
R
K
A
L
K
T
T
V
I
--
L
I
L
A
F
F
A
-----
C
W
L
P
Y
Y
I
G
I
S
------
I
D
-------------
S
F
I
L
L
E
I
I
K
Q
G
C
E
F
--
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
--------
A
F
L
G
A
K
F
K
T
S
--
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
37.91
6%
-89
* C6 *
3PBL
1
DRD3_HUMAN (first)
A:
[48-178]
----------------------------
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
GGV-
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
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
------
S
L
R
-
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
-------
K
R
V
I
T
---
T
F
R
T
G
T
W
D
A
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
--
F
F
L
T
H
V
L
-----
N
T
H
C
Q
T
C
H
V
S
------
P
E
-------------
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
--
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
Fugue
37.11
15%
-73
- C1 -
4QW2
-
FMR1_HUMAN
A:
[3-202]
---------------------------------------------------------------------------------------------------------------------------------------
E
E
L
V
V
E
V
R
G
S
N
G
A
F
Y
K
A
F
V
K
D
V
HED
S
I
T
V
A
F
E
N
N
W
Q
P
D
R
Q
I
P
F
H
D
V
R
F
P
---
P
P
V
-
G
Y
N
K
D
I
N
E
-
S
D
E
V
E
V
Y
S
R
A
N
E
K
E
P
C
C
W
--
W
L
-------
A
--------
K
--
V
-
R
M
I
K
------------
G
E
F
Y
V
I
E
Y
A
A
C
-----------
T
Y
N
E
I
V
T
I
E
R
L
R
S
V
N
P
N
K
P
A
T
K
D
T
F
H
K
I
K
L
D
V
P
E
D
L
Q
Q
M
C
A
-
K
E
A
A
H
K
D
F
K
K
A
V
--------
G
A
F
S
V
T
Y
-----
D
P
E
N
Y
Q
L
V
I
L
S
I
N
---
E
V
T
S
K
R
-----
A
H
-----
M
L
I
D
M
H
F
R
---
S
L
R
T
K
L
S
L
I
M
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
35.50
9%
-76
- C6 -
3EML
7
ENLYS_BPT4
A:
[58-155]
-------------------------------------------------------------------
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
----
P
F
--
A
--
I
------
T
I
STG--
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
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
------
E
T
G
-
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
-------
W
Y
N
Q
T
---
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
--
V
G
L
F
A
L
C
-----
W
L
P
L
H
I
I
N
C
F
------
T
F
-------------
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
--
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
--------
T
F
R
K
I
I
R
S
H
V
--
L
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
35.25
30%
56
- C9 -
3A2Q
1
NYLA_FLASK
A:
[386-450]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
P
T
-
V
T
R
Q
T
P
E
I
G
E
L
M
L
A
K
G
T
D
L
E
G
R
Q
S
A
F
I
S
G
S
--
L
Q
M
L
A
F
--------
T
V
P
F
N
-------------
V
S
G
Q
P
A
I
S
L
P
I
G
M
S
S
D
G
M
P
I
G
V
Q
I
V
A
A
Y
G
R
-----
E
D
L
L
L
Q
V
A
A
----------
13
PsiBlast_PDB
35.05
30%
57
* C9 *
3A2P
-
NYLA_FLASK
A:
[386-450]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
P
T
-
V
T
R
Q
T
P
E
I
G
E
L
M
L
A
K
G
T
D
L
E
G
R
Q
S
A
F
I
S
G
S
--
L
Q
M
L
A
F
--------
T
V
P
F
N
-------------
V
S
G
Q
P
A
I
S
L
P
I
G
M
S
S
D
G
M
P
I
G
V
Q
I
V
A
A
Y
G
R
-----
E
D
L
L
L
Q
V
A
A
----------
28
HHSearch
34.90
13%
-103
- C6 -
2LNL
-
CXCR1_HUMAN
A:
[43-171]
--------------------
I
I
A
Y
A
L
--
V
F
L
L
S
-----
L
L
G
N
S
L
----
V
M
L
V
I
L
Y
S
R
V
G
-
R
S
V
--
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
T
L
-
P
----
I
---
W
--
A
A
S
K
V
N
-
G
------
W
I
F
G
T
F
L
C
---
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
--
R
Y
L
A
I
V
H
A
T
---
R
T
L
------
T
Q
K
R
H
L
V
K
F
V
C
L
G
C
W
---
G
L
S
-
M
N
L
S
L
P
F
F
-
L
F
R
Q
A
Y
H
P
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
-------
T
--------
A
--
K
-
W
R
M
V
------------
L
R
I
L
P
H
T
F
G
F
I
-----------
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
M
G
Q
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
R
T
----
Q
V
I
Q
E
S
C
-----
E
R
R
N
N
I
G
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
-----
L
N
-----
P
I
I
Y
A
F
I
G
---
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
33.76
27%
34
- C7 -
4ODL
2
?
A:
[38-112]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
L
E
E
A
L
E
G
R
E
E
--
G
E
A
F
Q
A
H
V
P
A
E
K
A
Y
G
P
H
D
P
E
G
V
Q
V
V
P
--------
L
S
A
F
----
P
E
--
D
A
E
V
V
P
G
A
Q
F
Y
A
Q
D
M
E
G
-
N
P
M
P
L
T
V
V
A
V
E
G
E
E
V
T
V
D
F
N
H
P
L
A
G
K
D
L
D
F
Q
V
E
V
V
K
--
V
R
E
A
T
P
--------
E
E
L
L
H
-------------
G
H
A
H
P
-------------------------------------------------
5
PsiBlast_PDB
31.77
27%
44
- C7 -
4ODK
2
?
A:
[38-112]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
L
E
E
A
L
E
G
R
E
E
--
G
E
A
F
Q
A
H
V
P
A
E
K
A
Y
G
P
H
D
P
E
G
V
Q
V
V
P
--------
L
S
A
F
----
P
E
--
D
A
E
V
V
P
G
A
Q
F
Y
A
Q
D
----
N
P
M
P
L
T
V
V
A
V
E
G
E
E
V
T
V
D
F
N
H
P
L
A
G
K
D
L
D
F
Q
V
E
V
V
K
--
V
R
E
A
T
P
--------
E
E
L
L
H
-------------
G
H
A
H
P
S
G
H
H
H
H
-------------------------------------------