@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 : O13A1_HUMAN: (2016-01-11 )
MKLWMESHLIVPETRPSPRMMSNQTLVTEFILQGFSEHPEYRVFLFSCFLFLYSGALTGNVLITLAITFNPGLHAPMYFFLLNLATMDIICTSSIMPKALASLVSEESSISYGGCMAQLYFLTWAASSELLLLTVMAYDRYAAICHPLHYSSMMSKVFCSGLATAVWLLCAVNTAIHTGLMLRLDFCGPNVIIHFFCEVPPLLLLSCSSTYVNGVMIVLADAFYGIVNFLMTIASYGFIVSSILKVKTAWGRQKAFSTCSSHLTVVCMYYTAVFYAYISPVSGYSAGKSKLAGLLYTVLSPTLNPLIYTLRNKEVKAALRKLFPFFRN
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)
MKLWMES
H
L
IVPETRPSP---RMMS
N
Q
T
L
V
T
E
F
I
L
Q
G
F
SEHPE
Y
R
V
F
L
F
-------
S
-----
C
F
L
F
L
YSGALTG
N
V
----
L
I
T
L
A
I
T
FNPGLH
A
P
M
Y
F
F
L
L
N
L
A
T
M
D
-----
I
I
CTSS
I
-
M
P
K
A
L
A
S
-------------------
L
V
----SEESSISY
G
G
C
M
A
Q
L
Y
F
L
T
WAASS
E
L
L
L
L
T
V
M
AY
D
R
Y
A
A
I
--C------------------------------------------HPL--------
H
Y
S
S
M
---
M
S
--
K
V
F
C
S
G
L
--------
A
T
A
V
W
L
L
C
A
V
N
T
A
I
HT
G
L
M
L
R
L
DFCGP
N
V
I
I
H
F
FCEVP
P
L
L
------
L
L
SCS-------ST-Y-VN--
G
V
M
I
V
L
A
D
A
F
Y
G
I
V
N
F
L
M
T
I
A
S
-------------
Y
G
F
I
V
-----
S
S
I
L
K
V
K
TA-----------W--------------------G----R
Q
K
A
F
S
T
C
S
S
H
L
T
V
----
V
C
M
Y
Y
---------
T
A
V
F
---
Y
A
Y
----------ISPVS--G---Y------------S---
A
G
----
K
S
K
-------
L
A
G
L
L
Y
T
V
L
SPT
L
N
P
L
I
Y
T
LR
N
K
E
V
K
A
A
L
R
K
L
F
P
F
FRN---------------------------------------------------------------------
39
Fugue
90.05
17%
-127
- 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
P
F
E
A
P
Q
Y
Y
L
-----
A
E
P
W
Q
F
S
M
L
A
-------
A
-----
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
----
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
-----
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
-------------------
S
L
----
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
--
C
------------------------------------------
K
P
M
--------
S
N
F
R
F
---
G
E
--
N
H
A
I
M
G
V
--------
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
---------------
W
S
R
Y
I
P
E
G
M
------
Q
C
S
C
G
I
DYYTPH
E
E
-
T
-
N
N
--
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
-------------
Y
G
Q
L
V
-----
F
T
V
K
E
A
A
A
S
-----------
A
--------------------
T
----
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
----
M
V
I
A
F
---------
L
I
C
W
---
L
P
Y
----------
A
G
V
A
F
--
Y
---
I
------------
F
---
T
H
----
Q
G
S
DFGPIFM
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
PSTTVSKTETS
Q
V
A
P
A-----------------------------------------------------
40
Fugue
83.91
18%
-102
- 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
E
-----
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
-------
A
-----
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
----
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
-----
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
-------------------
S
L
----
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
--
C
------------------------------------------
K
P
M
S
N
F
R
F
G
E
N
H
A
I
M
G
---
V
A
--
F
T
W
V
M
A
L
--------
A
C
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
G
M
Q
C
---
S
C
G
I
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
G
S
DFGPIFM
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
PLGDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------
45
Fugue
77.18
15%
-152
- C2 -
4G9K
1
NDI1_YEAST
A:
[1-471]
------
M
K
V
I
D
P
Q
H
S
D
K
P
---
N
V
L
I
L
G
S
G
W
G
A
I
S
F
L
K
H
I
D
T
K
K
Y
N
V
S
I
I
-------
S
PRSYF
L
F
T
P
L
L
P
S
A
P
V
G
T
V
D
E
K
S
I
I
E
P
I
V
N
F
A
L
K
K
K
G
N
V
T
Y
Y
E
A
E
A
T
S
I
N
PDRN
T
V
T
I
K
S
L
S
-
A
V
S
Q
L
Y
Q
PENHLGLHQA
E
P
A
E
I
K
Y
D
Y
L
I
S
AVG
A
E
P
N
T
F
G
I
P
G
V
T
D
Y
G
H
F
L
K
E
I
P
N
S
L
E
I
R
R
T
F
A
A
N
L
E
K
A
N
L
LP
K
------------------------------------------
G
D
P
--------
E
R
R
R
L
---
L
S
--
I
V
V
V
G
G
G
--------
P
T
G
V
E
A
A
G
E
L
Q
D
Y
V
H
Q
D
L
R
K
F
L
P
A
L
A
E
E
V
Q
I
H
L
V
E
A
L
P
I
V
L
NMFE
K
K
L
S
S
Y
A
-------
Q
S
-
H
-
L
E
N
T
S
I
K
V
H
L
R
T
A
V
A
K
V
E
E
K
Q
L
L
A
K
T
K
H
EDG
K
I
T
E
E
T
I
P
Y
G
T
L
I
W
A
T
G
N
K
A
R
P
V
I
T
D
L
-----------
F
--------------------
K
----
K
I
P
E
Q
N
S
S
K
R
G
L
A
V
NDFL
Q
V
K
G
S
---------
N
N
I
F
A
I
G
D
N
A
----------
F
A
G
L
P
--
P
---
T
------------
A
---
Q
V
----
A
H
Q
-------
E
A
E
Y
L
A
K
N
F
D
K
M
A
Q
I
P
N
F
Q
K
I
D
L
L
F
E
E
N
N
F
K
P
F
K
Y
N
D
L
G
A
L
A
Y
LGSE
R
A
I
A
T
I
R
S
GK
R
T
F
Y
T
G
G
G
L
M
T
F
Y
L
W
R
I
L
Y
L
S
M
ILS
A
R
S
R
L
K
V
F
F
D
W
I
K
L
A
F
F
K
R
D
F
F
KGL
33
HHSearch
75.86
15%
-142
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-332]
------------------------------------------
A
V
Y
Y
S
L
G
-------
I
-----
F
I
G
I
C
G
I
I
G
C
G
G
N
G
----
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
-----
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
-------------------
C
F
----
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
--
G
------------------------------------------
R
P
M
--------
A
A
S
K
K
---
M
S
--
H
R
R
A
F
I
M
--------
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
A
Y
T
----
L
E
G
V
L
C
N
C
S
F
D
Y
I
S
------------------
R
D
-
S
-
T
T
--
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
-------------
Y
F
N
I
V
-----
M
S
V
S
N
H
E
K
E
-----------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
----
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
----
F
L
L
S
W
---------
S
P
Y
A
---
V
V
A
----------
L
L
A
Q
F
--
G
PLE
W
------------
V
---
T
P
----
Y
A
A
-------
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
---------------------------------------------------------------------
30
HHSearch
75.14
15%
-112
- C4 -
1U19
14
OPSD_BOVIN
A:
[40-326]
--------------------------------------------
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
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
---------------------------------------------------------------------
28
HHSearch
74.76
15%
-140
- C4 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
----------------------------------------------
L
W
A
-------
A
-----
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
----
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
-----
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
-------------------
A
V
----
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
--
I
------------------------------------------
H
P
L
--------
Q
P
R
L
-----
S
--
A
T
A
T
K
V
V
--------
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
S
T
T
E
-----
T
M
P
S
R
V
V
C
M
I
E
W
P
E
------
H
---
P
-------
N
K
-
I
-
Y
E
--
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
-------------
Y
T
V
V
G
-----
I
T
L
W
A
S
E
I
P
GDSSDRYH
E
Q
V
S
--------------------
A
----
K
R
K
V
V
K
M
M
I
V
V
V
C
T
----
F
A
I
C
W
---------
L
P
F
H
---
I
F
F
----------
L
L
P
Y
I
--
N
---
P
DLY---------
L
KKF
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
---------------------------------------------------------------------
27
HHSearch
72.69
18%
-121
- 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
----------------------------------------------------------------------
26
HHSearch
66.87
20%
-159
- C4 -
3EML
8
ENLYS_BPT4
A:
[22-221]
---------------------------------------------
S
V
Y
I
-------
T
-----
V
E
L
A
I
A
V
L
A
I
L
G
N
V
----
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
-----
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
-------------------
S
T
------
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
--
R
------------------------------------------
I
P
L
--------
R
Y
N
G
L
---
V
T
--
G
T
R
A
K
G
I
--------
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
W
N
N
C
G
Q
-------
S
Q
G
C
G
E
G
Q
---------
V
A
C
L
-------
F
E
D
V
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
---------------------------------------------------------------------
14
PsiBlast_PDB
63.22
29%
-154
- C4 -
4EIY
17
AA2AR_HUMAN (first)
A:
[45-172]
----------------------------------------------------------------------
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
---------------------------------------------------------------------
23
HHSearch
63.18
17%
-138
- 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
---------------------------------------------------------------------
21
HHSearch
62.85
18%
-149
- 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
---------------------------------------------------------------------
29
HHSearch
62.51
18%
-159
* 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
---------------------------------------------------------------------
22
HHSearch
62.11
18%
-145
- 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
---------------------------------------------------------------------
8
PsiBlast_PDB
61.36
29%
-158
- C4 -
4UG2
3
?
A:
[20-147]
----------------------------------------------------------------------
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
A
A
A
A
D
-----
I
L
V
G
V
L
A
-
I
P
F
A
I
A
---------------------
I
----
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
A
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
--------------------
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
---------------------------------------------------------------------
2
PsiBlast_PDB
61.13
30%
-154
- C4 -
3REY
1
AA2AR_HUMAN
A:
[20-147]
----------------------------------------------------------------------
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
---------------------------------------------------------------------
44
Fugue
61.03
14%
-130
- C1 -
1WCD
-
POLS_IBDVC
J:
[11-431]
-
I
V
P
F
I
R
S
L
L
M
P
T
T
G
P
A
S
IPD
D
T
L
E
K
H
T
L
R
S
E
T
S
T
Y
N
L
T
V
G
D
T
G
S
G
L
I
V
FFPGFPG
S
-----
I
V
G
A
H
Y
T
L
Q
G
N
G
N
Y
----
K
F
D
Q
M
L
L
T
A
Q
N
L
P
A
S
--
Y
N
Y
C
R
L
V
S
R
S
-----
L
T
V
R
S
S
T
-
L
P
G
G
V
Y
A
-------------------
L
N
----
G
T
I
N
A
V
T
F
Q
G
S
L
S
E
L
T
D
V
S
Y
---
N
G
L
M
S
A
T
A
N
I
N
D
K
I
G
N
V
--
L
VGEGVTVLSLPTSYDLGYVRLGDPIPAIGLDPKMVATCDSSD
R
P
R
--------
V
Y
T
I
T
---
A
A
DD
Y
Q
F
S
S
Q
Y
QPGGVTIT
L
F
S
A
N
I
D
A
I
T
S
L
S
V
G
G
E
L
V
F
R
T
S
V
H
G
L
V
L
G
A
T
I
Y
L
I
G
F
D
G
T
------
T
V
I
T
R
-------
A
V
-
A
-
A
N
--
N
G
L
T
T
G
T
D
N
L
M
P
F
N
L
V
I
P
T
N
E
I
-------------
T
Q
P
I
T
-----
S
I
K
L
E
I
V
T
S
-----------
K
SG------------------
G
----
Q
A
G
D
Q
M
S
W
S
A
R
G
S
L
----
A
V
T
I
H
GGNYPGALR
P
V
T
L
---
V
A
Y
ERVATGSVVT
V
A
G
V
S
--
N
---
F
------------
E
---
L
I
PNPE
L
A
K
-------
N
L
V
T
E
Y
G
R
F
D
P
G
A
M
N
Y
T
K
L
I
L
S
E
R
D
R
L
G
I
K
T
V
W
P
T
R
E
Y
TDFREYFMEVAD---------------------------------------------------------
5
PsiBlast_PDB
60.95
30%
-153
- C4 -
3UZC
1
AA2AR_HUMAN
A:
[20-147]
----------------------------------------------------------------------
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
---------------------------------------------------------------------
4
PsiBlast_PDB
60.86
30%
-153
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[20-147]
----------------------------------------------------------------------
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
---------------------------------------------------------------------
1
PsiBlast_PDB
60.84
30%
-155
- C4 -
3PWH
1
?
A:
[20-147]
----------------------------------------------------------------------
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
---------------------------------------------------------------------
3
PsiBlast_PDB
60.72
30%
-150
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[20-147]
----------------------------------------------------------------------
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
---------------------------------------------------------------------