@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 : O2AE1_HUMAN: (2016-01-11 )
MWQKNQTSLADFILEGLFDDSLTHLFLFSLTMVVFLIAVSGNTLTILLICIDPQLHTPMYFLLSQLSLMDLMHVSTIILKMATNYLSGKKSISFVGCATQHFLYLCLGGAECFLLAVMSYDRYVAICHPLRYAVLMNKKVGLMMAVMSWLGASVNSLIHMAILMHFPFCGPRKVYHFYCEFPAVVKLVCGDITVYETTVYISSILLLLPIFLISTSYVFILQSVIQMRSSGSKRNAFATCGSHLTVVSLWFGACIFSYMRPRSQCTLLQNKVGSVFYSIITPTLNSLIYTLRNKDVAKALRRVLRRDVITQCIQRLQLWLPRV
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)
-------MWQK
N
Q
T
S
L
A
D
F
I
---------
L
E
G
L
FDD
S
L
T
H
L
-------
F
L
F
S
L
T
M
V
V
F
L
I
A
VS---------G
N
T
L
T
I
L
L
I
C
IDPQLH
T
-
P
M
Y
F
L
L
S
Q
L
S
L
M
D
L
M
H
V
S
T
I
-
I
L
K
M
A
T
N
Y
L-S-GKK
S
I
S
F
V
G
C
A
T
Q
H
F
L
----
Y
L
CLG
G
A
E
C
F
L
L
A
V
MSY-----DR
Y
V
A
I
C
H
--
P
L
R
Y
-
A
V
L
---MNKK
V
G
L
M
M
A
V
M
S
W
L
G
A
S
V
N
S
L
I
H
M
A
I
L
M
HFPFCGP
R
K
V
Y
H
F
Y
CE-
F
P
A
V
V
K
L
VCG--------D
I
T
V
Y
-
E
-
T
T
-
V
Y
I
------
S
S
I
L
L
L
L
P
I
F
L
IS
T
S
Y
V
F
I
L
Q
S
V
----
I
-
Q
M
R
-------------SSG--------S-----------------KRNAFATCGS----H----
L
T
V
V
-------
S
L
W
F
G
A
C
I
F
S
YMRP----
R
S
Q
-------
C
--
T
--
L
-------
L
--
Q
N
K
V
G
S
V
F
Y
S
--
I
I
T
P
T
L
--
N
S
L
I
Y
T
LRN----------
K
D
V
A
K
----
A
L
R
R
V
L
--------
R
--
R
D
V
I
T
Q
C
I
Q
---------
R
L
Q
L
WL------PRV--------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
86.09
18%
-126
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGV
V
R
S
P
F
E
A
P
Q
Y
Y
L
AE
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
DYYTPHE
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
QGSDFG
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
CG-----
K
--
N
P
S
T
T
V
S
K
T
---------
E
T
S
Q
V
A
------
P
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
83.25
16%
-131
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-333]
---------------------------------------
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
LE-----
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
81.01
23%
-154
- C4 -
4U14
1
ENLYS_BPT4
A:
[13-285]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
-----
F
I
Q
F
L
S
E
--------
P
T
I
T
F
-
G
-
T
A
-
I
----------
A
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
----
E
-
K
M
N
C
F
E
M
L
R
I
------
D
E
G
--------
L
-----------------
R
L
K
I
Y
K
D
C
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
C
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
Fugue
78.12
18%
-116
- C4 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-------
S
F
K
C
A
L
T
K
--------------------
T
G
F
Q
F
Y
-------
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
---------
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
-
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
T
L
-
P
A
L
I
F
Y
Y
F
N
-
K
-
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
----
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
-----
H
R
Y
S
G
V
V
Y
--
P
-
K
S
-
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
----
S
P
I
L
F
Y
S
G
T
G
V
R
K
N
K
T
I
T
C
Y
-
D
T
T
S
D
E
Y
-----------
L
R
S
Y
F
-
I
-
Y
S
-
M
C
T
------
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
----
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
P
E
D
G
--------
D
-----------------
P
D
N
G
V
N
P
G
T
D
----
F
----
K
D
I
V
-------
C
P
L
C
G
V
G
K
D
Q
F
E
E
V
EE
P
L
R
R
K
-------
S
--
I
--
Y
-------
L
--
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
--
K
T
M
N
L
R
A
R
L
DFQTPAM
C
A
F
N
D
R
V
Y
----
A
T
Y
Q
V
T
--------
R
--
G
L
A
S
L
N
S
C
V
---------
N
P
I
L
Y
F
LAGDTF
R
R
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
75.90
16%
-106
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------
M
N
G
T
E
G
P
N
F
Y
V
PFSNKTGV-
V
R
S
P
F
E
A
P
Q
Y
Y
L
AE
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
DYYTPHE
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
KEAA
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
QGSDFG
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
CGKNPLG
D
--
D
E
A
S
T
T
V
S
K
---------
T
E
T
S
Q
V
------
A
P
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
75.83
14%
-128
- 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
G
DSSDRYH
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
YL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
Fugue
74.49
18%
-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
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
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
39
HHSearch
73.37
17%
-135
- 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
TQVIQE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
72.97
16%
-127
- C4 -
1U19
14
OPSD_BOVIN
A:
[40-327]
---------------------------------------
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
Q
--------
Q
ESA
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
GS-----
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
Fugue
67.49
21%
-129
- C2 -
4RUW
3
?
A:
[53-438]
R
R
D
L
R
V
M
T
W
N
I
H
-
T
A
V
A
P
D
A
---------
P
G
V
V
D
E
P
R
I
A
A
V
-------
I
R
A
E
A
P
D
V
V
V
L
N
E
V
H
RDAPGPGSH
G
D
Q
P
A
R
L
A
E
L
L
A
A
D
G
Y
V
-
H
T
W
F
G
L
T
E
V
---
D
L
P
H
E
G
A
V
-
L
P
G
S
S
N
G
N
V
-
V
M
S
R
H
P
--
F
V
G
G
G
V
V
V
P
L
P
NEN
Y
E
P
G
G
K
L
R
R
S
L
L
T
V
T
V
D
VPGL
G
D
V
V
V
H
A
T
H
L
S
T
P
G
S
-
A
V
L
---
V
E
D
Q
K
E
Q
L
R
I
V
L
D
H
V
D
A
R
V
P
S
V
L
A
-
G
D
L
N
I
W
T
T
D
V
P
T
Q
P
Y
S
Q
N
N
L
M
Q
S
W
I
A
E
D
H
L
A
--------
D
T
W
R
Q
-
V
-
N
D
-
P
G
A
GPTMTA
S
Y
G
R
P
E
S
P
H
P
D
R
R
I
D
Y
V
F
A
T
P
A
F
----
D
-
V
V
A
-------------
G
H
V
--------
S
-----------------
L
V
D
R
F
A
S
--
D
----
H
----
L
G
V
V
M
------
D
L
R
L
G
G
------
A
P
----
V
A
A
-------
R
--
T
--
V
-------
L
--
A
G
E
D
G
L
D
G
W
A
--
Q
L
T
A
S
R
PG
R
L
R
L
S
V
C
K
N
----------
R
G
Q
A
D
DDG
T
A
V
R
A
V
L
--------
R
N
R
A
G
V
A
L
R
T
V
T
D
S
G
TSR
D
R
C
T
V
E
T
W
R
------
G
A
L
P
PG
A
R
L
E
A
C
L
V
G
ADGTIL
A
S
R
T
E
T
L-------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
66.26
19%
-141
- 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
------
V
R
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
65.47
31%
-177
- C4 -
4U15
3
?
B:
[13-160]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
----
L
-
R
I
D
-------------
E
G
G
--------
G
-----------------
S
G
G
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
65.13
31%
-169
- C4 -
4U15
1
ACM3_RAT
A:
[13-160]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
----
L
-
R
I
D
-------------
E
G
G
--------
G
-----------------
S
G
G
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
63.39
20%
-140
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
----------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
63.07
31%
-175
- C4 -
4U16
1
?
A:
[13-160]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
----
L
-
R
I
D
-------------
E
G
G
--------
G
-----------------
S
G
G
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
63.00
31%
-181
- C4 -
4U16
1
?
B:
[13-160]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
----
L
-
R
I
D
-------------
E
G
G
--------
G
-----------------
S
G
G
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
62.84
20%
-139
* 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
------
D
A
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
62.76
31%
-172
- C4 -
4DAJ
2
ACM3_RAT (first)
C:
[13-165]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
62.52
31%
-179
- C4 -
4DAJ
2
ACM3_RAT (first)
D:
[13-165]
----------------------------------------
V
-------
F
I
A
F
L
T
G
F
L
A
L
V
T
I
I
---------
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
-
L
A
C
A
D
L
I
-
I
G
V
I
-
S
M
N
L
F
T
T
Y
I
I
M
-
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
----
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
-----
D
R
Y
F
S
I
T
R
--
P
L
T
Y
R
A
K
R
---
T
T
K
R
A
G
V
M
I
G
-
L
A
W
V
I
S
F
V
--
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
-
I
Q
F
L
S
E
P
T
I
T
--------
F
G
T
A
I
-
A
-
A
F
-
Y
M
P
------
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
62.35
19%
-158
- C4 -
3EML
8
ENLYS_BPT4
A:
[20-221]
--------------------------------------
G
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
FE------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------