@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 : OR4CC_HUMAN: (2016-01-13 )
MEKKKNVTEFILIGLTQNPIMEKVTFVVFLVLYMITLSGNLLIVVTITTSQALSSPMYFFLTHLSLIDTVYSSSSAPKLIVDSFQEKKIISFNGCMAQAYAEHIFGATEIILLTVMACDCYVAICKPLNYTTIMSHSLCILLVAVAWVGGFLHATIQILFTVWLPFCGPNVIGHFMCDLYPLLKLVCIDTHTLGLFVAVNSGFICLLNFLILVVSYVIILRSLKNNSLEGRCKALSTCISHIIVVVLFFVPCIFVYLRSVTTLPIDKAVAVFYTMVVPMLNPVVYTLRNAEVKSAIRKLWRKKVTSDND
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)
MEKKKNV
T
E
F
I
L
I
GLTQ---------------N
P
I
M
E
K
V
T
F
V
V
F
L
V
--
L
-------------------
Y
M
I
TLSG
N
L
L
I
V
V
----
T
IT
T
S
-
Q
A
LSS
P
M
Y
F
----
F
L
T
H
L
S
L
I
D
-----------------
T
V
YSSSS-AP
K
L
I
V
D
SFQ-E
K
K
I
I
SFN--
G
-----
C
M
A
Q
A
Y
A
E
H
I
FG
A
--
T
E
I
I
L
L
T
VMAC
D
C
Y
V
A
I
C--KPL
N
Y
T
T
I
---
M
S
H
S
L
C
---
I
L
L
V
A
V
A
W
-
V
G
G
F
L
H
A
T
I
Q
I
L
-
F
T
V
W
LP-----FC
G
P
N
V
I
G
H
F
M
C
D
L
Y
P
L
L
K
L
V
C
---IDTH--
T
L
G
L
F
V
A
VNS
G
---
F
I
C
L
L
N
F
L
I
L
V
V
S
----------
Y
V
I
I
L
----
R
S
LKN-N-S
L
E
------------
G
---------------------
R
C
K
A
L
S
T
C
-------
I
S
H
I
I
V
----
V
V
L
F
F
V
P
C
I
F
V
Y
L
R
S
V----T----T--------LP---
I
D
K
---------
A
V
------
A
V
F
Y
T
M
V
V
P
M
L
N
P
V
V
Y
T
LR
N
A
E
V
K
S
A
I
R
K
L
W
-----------------
R
K
K---VTSDND-----------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
84.94
17%
-132
- 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
GVVRSPFEAPQYYLA
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
GMQC
S
C
G
I
--------
D
Y
Y
T
P
H
E
E
T
N
---
N
E
S
F
--
V
I
Y
M
F
V
V
--------
H
F
I
I
P
L
I
V
I
F
F
C
----------
Y
G
Q
L
V
----
F
T
V
K
E
-
A
A
A
S
A
------------
T
---------------------
T
Q
K
A
E
K
E
V
-------
T
R
M
V
I
I
----
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
----
F
----
Y
--------
I
F
---
T
H
Q
GSDFGPIFM
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
VSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
84.37
19%
-142
- 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
PLEWV---
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
83.04
16%
-120
- 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
GVVRSPFEAPQYYLA
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
GMQC
S
C
G
I
--------
D
Y
Y
T
P
H
E
E
T
N
---
N
E
S
F
--
V
I
Y
M
F
V
V
H
F
I
I
---
P
L
I
V
I
F
F
C
Y
G
Q
L
V
----------
F
T
V
K
E
----
A
A
A
Q
Q
-
Q
-
E
S
A
------------
T
---------------------
T
Q
K
A
E
K
E
V
-------
T
R
M
V
I
I
----
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
----
F
----
Y
--------
I
F
---
T
H
Q
GSDFGPIFM
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
---
T
S
Q
V
A
P
A----------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
82.63
15%
-150
- C4 -
2KS9
1
NK1R_HUMAN
A:
[33-325]
-------------------------------------
V
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
NPD
L
----
Y
L-------
K
K
FI
Q
Q
V
Y
---------
L
A
------
I
M
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
-----------------
R
C
C
---
P
F
I
S
A
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
78.73
13%
-132
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------
D
E
V
W
V
V
G
M
G
I
V
M
S
L
--
I
-------------------
V
L
A
I
V
F
G
N
V
L
V
I
T
----
A
I
A
K
F
-
E
R
L
Q
T
V
T
N
Y
----
F
I
T
S
L
A
C
A
D
-----------------
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
M
-
K
M
W
T
F
G
N
F
--
W
-----
C
E
F
W
T
S
I
D
V
L
C
V
T
--
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
--
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
---
R
V
I
I
L
M
V
W
-
I
V
S
G
L
T
S
F
L
P
I
Q
-
M
------------
H
W
Y
R
A
T
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
----
D
F
F
--
T
N
Q
A
Y
A
I
A
S
S
I
---
V
S
F
Y
V
P
L
V
I
M
V
F
V
----------
Y
S
R
V
F
----
Q
E
A
K
R
-
Q
-
L
------------------------------------
N
I
F
E
M
L
R
I
-------
D
E
G
L
R
L
----
K
I
Y
K
D
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
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL
35
HHSearch
77.60
16%
-144
* C4 *
1U19
14
OPSD_BOVIN
A:
[38-327]
----------------------------------
W
Q
F
S
M
L
A
A
Y
M
F
L
--
L
-------------------
I
M
L
G
F
P
I
N
F
L
T
L
Y
----
V
T
V
Q
H
-
K
K
L
R
T
P
L
N
Y
----
I
L
L
N
L
A
V
A
D
-----------------
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
-
G
Y
F
V
F
G
P
T
--
G
-----
C
N
L
E
G
F
F
A
T
L
G
G
E
--
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
--
K
P
M
S
N
F
R
----
F
G
E
N
H
A
---
I
M
G
V
A
F
T
W
-
V
M
A
L
A
C
A
A
P
P
L
V
-
G
W
S
R
Y
--------
I
P
-
E
G
M
Q
C
S
C
G
I
D
Y
Y
T
P
------
H
E
E
T
--
N
N
E
S
F
V
I
Y
M
F
V
---
V
H
F
I
I
P
L
I
V
I
F
F
C
----------
Y
G
Q
L
V
----
F
T
V
K
E
-
A
-
A
A
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
SDF-----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
74.72
25%
-185
- C4 -
4BUO
10
NTR1_RAT
A:
[24-260]
------------------------------------------
I
Y
L
A
--
L
-------------------
F
V
V
G
T
V
G
N
S
V
T
L
F
----
T
L
A
R
K
K-
S
L
Q
S
T
V
D
Y
----
Y
L
G
S
L
A
L
S
D
-----------------
L
L
I
L
L
L
A
-
M
P
V
E
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
A
G
-----
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
--
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
--
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
---
K
K
F
I
S
A
I
W
-
L
A
S
A
L
L
A
-
I
P
M
L
-
F
T
M
G
L
---------
Q
N
L
S
G
----
D
G
T
H
P
G
G
L
V
C
TPI
V
D
T
A
--
T
L
K
V
V
I
Q
V
N
T
----
F
M
S
F
L
-
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
T
V
M
V
H
----
Q
----------P-----------
G
---------------------
R
V
Q
A
L
R
R
G
-------
V
L
V
L
R
A
----
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
----
L
----
M
--------
F
C
---
Y
I
S
---------
D
E
------
Q
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
-----------------
Y
N
L
---
V
S
A
N
F
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
69.56
16%
-150
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
---------------------------------
T
L
N
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
65.65
18%
-141
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
------------------------------------
V
V
G
M
G
I
V
M
S
L
--
I
-------------------
V
L
A
I
V
F
G
N
V
L
V
I
T
----
A
I
A
K
F
-
E
R
L
Q
T
V
T
N
Y
----
F
I
T
S
L
A
C
A
D
-----------------
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
M
-
K
M
W
T
F
G
N
F
--
W
-----
C
E
F
W
T
S
I
D
V
L
C
V
T
--
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
--
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
---
R
V
I
I
L
M
V
W
-
I
V
S
G
L
T
S
F
L
P
I
Q
-
M
H
W
Y
R
A
---------
T
H
Q
E
A
I
N
C
Y
A
E
----
E
T
C
---
C
D
F
F
--
T
N
Q
A
Y
A
I
A
S
S
I
---
V
S
F
Y
V
P
L
V
I
M
V
F
V
----------
Y
S
R
V
F
----
Q
E
A
K
R
-
Q
-
L
N
I
------------
F
---------------------
E
M
L
R
I
D
E
G
-------
L
R
L
K
I
Y
----
K
D
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
65.62
20%
-147
- C4 -
3EML
8
ENLYS_BPT4
A:
[21-221]
------------------------------------
S
S
V
Y
I
T
V
E
L
A
--
I
-------------------
A
V
L
A
I
L
G
N
V
L
V
C
W
----
A
V
W
L
N
-
S
N
L
Q
N
V
T
N
Y
----
F
V
V
S
L
A
A
A
D
-----------------
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
---
G
F
C
A
A
C
H
--
G
-----
C
L
F
I
A
C
F
V
L
V
L
T
Q
--
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
--
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
---
K
G
I
I
A
I
C
W
-
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
N
C
G
-----
Q
-------
S
Q
G
C
G
E
G
Q
---
V
A
C
---
L
F
E
D
VV
P
M
N
Y
M
V
Y
F
N
F
F
---
A
C
V
L
V
P
L
L
L
M
L
G
V
----------
Y
L
R
I
F
----
L
A
A
R
R
-
Q
-
L
N
I
------------
F
---------------------
E
M
L
R
I
D
E
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
65.12
20%
-142
- 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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
64.26
19%
-191
- C3 -
3GRE
-
VPS15_YEAST
A:
[1031-1454]
E
S
I
E
K
F
L
S
T
F
I
L
P
P
L
R
D
YKEFGPIQEIVR---
S
P
N
M
G
N
L
R
G
K
L
I
A
T
--
L
MENEPNSIT
S
S
A
V
S
P
G
E
T
P
Y
L
I
T
G
S
D
Q
G
V
I
K
I
W
N
L
K
E
I
I
V
G
-
E
V
Y
S
S
S
L
T
Y
D
CSS
T
V
T
Q
I
T
M
I
P
NFD
A
F
A
V
S
S
KDG
Q
I
I
V
L
K
V
N
H
Y
Q
Q
-
E
S
E
V
K
F
L
N
C
E
-
C
I
R
K
I
N
L
K
--
N
-----
F
G
K
N
E
Y
A
V
R
M
R
A
F
V
N
E
E
K
S
L
L
V
A
L
T
N
L
S
R
V
I
I
F
D
I
R
T
L
E
R
L
Q
I
---
I
E
N
S
P
R
HGA
V
S
S
I
C
I
D
E
E
C
C
V
L
I
L
G
T
T
R
G
I
-
I
D
I
W
D
I
-----
R
F
N
V
L
I
R
S
W
S
F
G
D
H
A
P
I
T
H
V
E
V
---
C
Q
F
Y
--
G
K
N
S
V
I
V
V
G
G
S
SKT
F
L
T
I
W
N
F
V
K
G
H
C
Q
----------
Y
A
F
I
N
SDEQ
P
S
M
E
H
F
L
-
P
I
E
------------
K
---------------------
G
L
E
E
L
N
F
C
GIRSLNA
L
S
T
I
S
V
S
ND
K
I
L
L
T
D
E
A
T
S
S
I
V
M
F
S
L
----
N
----
E
--------
L
S
---
S
S
K
---------
A
V
ISPF
S
D
V
F
I
P
T
Q
V
T
A
N
L
T
M
L
L
R
K
M
K
H
D
I
I
N
S
I
S
T
C
E
V
-----------------
D
E
T
P
L
L
V
A
C
D
N
S
G
L
I
G
I
F
Q----------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
59.05
22%
-143
- C4 -
4U16
1
?
A:
[11-165]
-------------------------------------
Q
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
59.02
22%
-140
- C4 -
4U15
1
ACM3_RAT
A:
[11-165]
-------------------------------------
Q
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
58.40
18%
-134
- 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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
57.85
16%
-134
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-240]
----------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
57.75
22%
-144
- C4 -
4U14
1
ENLYS_BPT4
A:
[11-165]
-------------------------------------
Q
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
57.72
22%
-145
- C4 -
4DAJ
2
ACM3_RAT (first)
A:
[11-165]
-------------------------------------
Q
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
57.07
16%
-137
- 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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
56.06
24%
-134
- C4 -
4MQT
2
ACM2_HUMAN
A:
[36-178]
-------------------------------------
K
T
F
E
V
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
LG
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
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
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------