@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : GPR20_HUMAN: (2016-01-10 )
MPSVSPAGPSAGAVPNATAVTTVRTNASGLEVPLFHLFARLDEELHGTFPGLWLALMAVHGAIFLAGLVLNGLALYVFCCRTRAKTPSVIYTINLVVTDLLVGLSLPTRFAVYYGARGCLRCAFPHVLGYFLNMHCSILFLTCICVDRYLAIVRPEGSRRCRQPACARAVCAFVWLAAGAVTLSVLGVTGSRPCCRVFALTVLEFLLPLLVISVFTGRIMCALSRPGLLHQGRQRRVRAMQLLLTVLIIFLVCFTPFHARQVAVALWPDMPHHTSLVVYHVAVTLSSLNSCMDPIVYCFVTSGFQATVRGLFGQHGEREPSSGDVVSMHRSSKGSGRHHILSAGPHALTQALANGPEA
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......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPSVSPAGPSAGAVPNA
T
A
V
T
T
V
RTNASGLE
V
P
L
F
H
L
F
A
R
L
D
E
E
L
HGTF
P
G
L
W
L
A
L
M
A
V
H
G
A
I
F
L
A
G
L
V
L
N
G
L
A
L
Y
V
F
C
CRTRAKT
P
S
V
I
Y
T
I
N
L
V
V
T
D
L
L
V
GL-----S--LP---
T
R
F
A
V
Y---Y------G----A
R
---
G
C
L
R
C
A
F
P
H
V
L
G
-------
Y
F
L
N
M
H
C
S
I
---
L
F
L
T
C
I
C
V
D
R
Y
L
A
I
VRPEGSRRC---RQ
P
A
C
A
R
A
V
C
A
F
V
W
L
AAG--
A
V
T
L
S
V
L
G-------------------V------T-----G---------S
R
---------------
P
------------------------
C
C
R
---------------
V
--------------
F
--------
A
-------------
L
-------
T
V
L
--
E
--
F
L
L
P
L
L
V
I
S
V
FTG----
R
I
M
C
AL-------------------------------------------SRP
G
L
L
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
----
G
R
Q
R
--
R
---
V
---
R
A
M
Q
----
L
L
L
T
V
L
I
I
F
L
V
CFTPF
H
----
A
R
Q
V
A
V
A
LWP--D--------M-------P-------HH
T
-
S
L
V
-
V
--
Y
H
V
A
V
T
L
S
S
----
L
---
N
S
C
M
D
P
I
V
Y
C
FVTS
G
F
Q
A
T
V
R
G
L
F
GQHGEREPSSG
D
V
V
S
M
HRSSKGSGRH
H
I
LSA
G
P
H
A
L
T
Q
A
L
ANGPEA
46
Fugue
91.52
27%
-156
- C5 -
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
KTDW
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
KNKTI--------
T
------------------------
C
Y
D
TTSDEY
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
PEDGDPDNGVNPGTDFKDIVCPLCGV
G
K
D
Q
F
E
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------
V
----
E
E
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
L
A
G
D
T
F
R
R
R
---------------------------------------------------
4
PsiBlast_PDB
90.05
28%
-177
- C5 -
4RWA
2
C562_ECOLX (first)
A:
[120-405]
--------------------------------------------------
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-----
T
--
L
P
---
F
Q
S
A
K
Y
---
L
------
M
----
E
T
WPF
G
E
L
L
C
K
A
V
L
S
I
D
-------
Y
Y
-
N
M
F
T
S
I
---
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
--
G
V
G
V
P
I
M
V
-------------------
M
------
A
-----
V
---------
T
R
---------------
P
R
DG
A
V
V
C
M
L
Q
F
PSP
S
W
Y
W
D
T
V
T
K
I
C
V
F
---------------
L
--------------
F
--------
A
-----------------------------
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
LL----------------------------------------------------
G
S
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
R
S
L
--
R
-------
R
I
T
R
----
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
-------
I
F
V
I
V
W
T
LV
D
--------
I
-------
D
-------
R
R
D
-
P
L
V
-
V
A
A
L
H
L
C
I
A
L
G
Y
----
A
---
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
----------------------------------------------
31
HHSearch
87.61
22%
-157
- C5 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
-----------------------------------------------------
M
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
RR-------
E
D
---------------
K
------------------------
C
E
T
---------------
D
--------------
F
YDV
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAY--
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
--------------------------------------------
25
HHSearch
87.39
24%
-153
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-497]
-------------------------------------------------
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
AN----
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
DD---
R
Y
---------------
I
------------------------
C
D
R
---------------
F
Y
PN
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
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
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
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
TGTWDAYG
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
-----------------------------------
5
PsiBlast_PDB
86.18
28%
-172
- C5 -
4RWD
7
C562_ECOLX (first)
A:
[120-405]
--------------------------------------------------
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-----
T
--
L
P
---
F
Q
S
A
K
Y
---
L
------
M
----
E
T
WPF
G
E
L
L
C
K
A
V
L
S
I
D
-------
Y
Y
-
N
M
F
T
S
I
---
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
--
G
V
G
V
P
I
M
V
-------------------
M
------
A
-----
V
---------
T
R
---------------
P
R
DG
A
V
V
C
M
L
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
---------------
L
--------------
F
--------
A
-----------------------------
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
-------------------------------------------
L
L
S
G
S
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
R
S
L
--
R
-------
R
I
T
R
----
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
-------
I
F
V
I
V
W
T
LV
D
--------
I
-------
D
-------
R
R
D
-
P
L
V
-
V
A
A
L
H
L
C
I
A
L
G
Y
----
A
---
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
----------------------------------------------
28
HHSearch
85.58
22%
-159
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
----------------------------------------------------
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
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
YRATH
Q
E
A
I
N
C
Y
A
--
E
E
---------------
T
------------------------
C
C
D
---------------
F
FTN
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTWDAY--
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
--------------------------------------------
3
PsiBlast_PDB
85.07
28%
-176
- C5 -
4N6H
23
C562_ECOLX (first)
A:
[123-408]
--------------------------------------------------
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-----
T
--
L
P
---
F
Q
S
A
K
Y
---
L
------
M
----
E
T
WPF
G
E
L
L
C
K
A
V
L
S
I
D
-------
Y
Y
-
N
M
F
T
S
I
---
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
--
G
V
G
V
P
I
M
V
-------------------
M
------
A
-----
V
---------
T
R
---------------
P
R
DGAVVC
M
L
Q
F
P
SP
S
W
Y
W
D
T
V
T
K
I
C
V
F
---------------
L
--------------
F
--------
A
-----------------------------
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
-------------------------------------------
L
L
S
G
S
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------
K
----
D
R
S
L
--
R
-------
R
I
T
R
----
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
-------
I
F
V
I
V
W
T
LV
D
--------
I
-------
D
-------
R
R
D
-
P
L
V
-
V
A
A
L
H
L
C
I
A
L
G
Y
----
A
---
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
-----------------------------------------
2
PsiBlast_PDB
83.77
29%
-170
- C5 -
4EA3
3
C562_ECOLX (first)
A:
[123-405]
--------------------------------------------------
G
L
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
-----
T
--
L
P
F
Q
G
T
D
I
L
L
G
---
F
------
W
----
P
F
---
G
N
A
L
C
K
T
V
I
A
I
D
-------
Y
Y
-
N
M
F
T
S
T
---
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
G
S
A
Q
----------------
V
------
E
-----
D
---------
E
E
---------------
I
------------------------
E
C
L
---------------
V
E
I
P
T
PQDY
W
G
P
V
--
F
--------
A
-------------
I
-------
C
I
F
L
F
S
--
F
I
V
P
V
L
V
I
S
V
C
Y
S
----
L
M
I
R
R
L
-------------------------------------------
R
G
V
R
L
L
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
----
S
R
E
K
--
D
---
R
N
L
R
R
I
T
R
----
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
----
V
F
V
L
A
Q
G
L
G
V
--
Q
--------
P
-------
S
-------
S
E
T
-
A
V
A
-
I
--
L
R
F
C
T
A
L
G
Y
----
V
---
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
-------------------------------------------------
1
PsiBlast_PDB
83.00
27%
-175
- C5 -
5C1M
7
?
A:
[18-293]
-----------------------------------------------------
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-----
T
--
L
P
---
F
Q
S
V
N
Y
---
L
------
M
----
G
T
WPF
G
N
I
L
C
K
I
V
I
S
I
D
-------
Y
Y
-
N
M
F
T
S
I
---
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
--
A
I
G
L
P
V
M
F
-------------------
M
A
T
T
K
Y
R
Q
-----
G
---------
S
I
---------------
D
------------------------
C
T
L
---------------
T
--------------
F
--------
S
H
P
T
W
Y
W
E
N
L
L
K
I
C
V
-------
F
I
F
--
A
--
F
I
M
P
V
L
I
I
T
V
C
Y
G
----
L
M
I
L
R
L
-------------------------------------------
K
S
V
R
M
L
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
----
S
K
E
K
--
D
R
N
L
R
---
R
I
T
R
----
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
----
I
Y
V
I
I
K
A
L
-
I
--
T
--------
I
-------
P
-------
E
T
T
F
Q
T
V
-
S
--
W
H
F
C
I
A
L
G
Y
----
T
---
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
--------------------------------------------------
32
HHSearch
82.88
24%
-162
- C5 -
3EML
13
ENLYS_BPT4
A:
[22-471]
-----------------------------------------------------
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
NCGQ-----
S
Q
---------------
G
------------------------
C
G
E
GQVACLF--------
E
DVVP
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTW
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
---------------------------------------
44
Fugue
82.61
20%
-136
- C5 -
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
GG
F
T
T
T
--
L
Y
---
T
S
L
H
G
Y
---
F
VF----
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
GW
S
R
Y
I
-------------
P
------
E
-----
G
---------
M
Q
---------------
C
------------------------
S
C
G
I
DYYTPHEETN
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
-------
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
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-------------------------
34
HHSearch
81.87
23%
-159
- C5 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-------------------------------------------------------
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
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
TTGD-----
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
T
GTWDAY
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
--------------------------------------------
27
HHSearch
79.43
19%
-162
- C5 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
-----------------------------------------------------
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
GVRTVE
D
G
---------------
E
------------------------
C
Y
I
---------------
Q
--------------
F
FSN
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAY--
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
---------------------------------------------
30
HHSearch
79.29
19%
-155
* C5 *
2Z73
5
OPSD_TODPA
A:
[31-334]
-------------------------------------------------
D
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
KK---
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
GV--
L
C
---------------
N
------------------------
C
S
F
---------------
D
YISRD
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
--
L
------------------------
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
------------------
36
HHSearch
79.16
20%
-160
- C5 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
-----------------------------------------------------
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
NE---
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
TETMPS---
R
V
---------------
V
------------------------
C
M
I
---------------
E
WPEHPNKIY
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
-------
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
--
45
Fugue
75.44
19%
-131
- C5 -
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
GYFVF
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
GW
S
R
Y
I
P
E
GMQC
S
C
G
I
DYY
T
------
P
-----
H
---------
E
E
---------------
T
------------------------
N
N
E
---------------
S
--------------
F
--------
V
-------------
I
-------
Y
M
F
--
V
VH
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
-------
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
-----
37
HHSearch
74.66
26%
-150
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
---------------------------------------------------
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
AYHPNNS--
S
P
---------------
V
------------------------
C
Y
E
---------------
V
LGNDTAKWRMVLR-
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
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
------------------------------------------
16
PsiBlast_PDB
73.74
23%
-148
- C5 -
4XT3
2
US28_HCMVA
A:
[45-316]
--------------------------------------------------------
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-----
T
--
L
P
L
W
-
M
Q
Y
L
L
D
---
H
----------------
A
S
V
P
C
T
L
L
T
A
-
C
-------
F
Y
V
A
M
F
A
S
L
---
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
M
R
--
Y
R
P
---
V
K
Q
A
C
L
F
S
I
--
F
W
W
I
F
A
V
--
I
I
A
I
P
H
F
M
-------------------
V
------
V
-----
T
---------
K
K
DN
Q
C
M
T
DYDYLEVS
Y
P
------------------------
I
I
L
---------------
N
--------------
V
--------
E
-------------
L
-------
M
L
G
--
A
--
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
----
R
I
-----------------------------------------------
S
R
I
V
A
V
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
----
S
R
H
K
--
G
-------
R
I
V
R
----
V
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
L
F
V
D
T
L
K
L
L
K
W
I
--
S
--------
S
-------
S
-------
C
E
F
-
E
R
S
-
L
--
K
R
A
L
I
L
T
E
S
----
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
--------------------------------------------
35
HHSearch
72.56
18%
-148
- C5 -
1U19
14
OPSD_BOVIN
A:
[39-326]
---------------------------------------------------
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
GY---
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
QC-------------
S
------------------------
C
G
I
---------------
D
YYTPHEETN
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
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-------------------
20
PsiBlast_PDB
72.49
22%
-186
- C5 -
4BV0
1
NTR1_RAT
A:
[24-316]
---------------------------------------------------------
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
--
F
T
L
A
R
K
-------
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
-----
L
--
L
I
---
L
L
F
A
L
P
---
V
------
D
----
V
Y
---
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
-----
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
------
V
-----
G
---------
L
Q
NLSGDGTHPGGLVCT
P
------------------------
I
V
D
---------------
T
--------------
A
--------
T
-------------
L
K
V
V
I
Q
L
N
T
F
M
--
S
--
F
L
F
P
M
L
V
A
S
I
L
N
T
----
V
I
A
R
R
L
-------------------------------------------
T
V
--
M
V
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------P
G
R
---
V
---
Q
A
L
R
R
G
V
L
V
L
R
A
M
V
I
A
F
V
V
C
W
L
P
Y
H
----
V
R
R
L
M
F
V
Y
I
S
--
D
--------
E
-------
Q
-------
W
T
T
-
A
L
F
D
F
--
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
---
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
-------------------------------------------