@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 : GPER1_HUMAN: (2016-01-10 )
MDVTSQARGVGLEMYPGTAQPAAPNTTSPELNLSHPLLGTALANGTGELSEHQQYVIGLFLSCLYTIFLFPIGFVGNILILVVNISFREKMTIPDLYFINLAVADLILVADSLIEVFNLHERYYDIAVLCTFMSLFLQVNMYSSVFFLTWMSFDRYIALARAMRCSLFRTKHHARLSCGLIWMASVSATLVPFTAVHLQHTDEACFCFADVREVQWLEVTLGFIVPFAIIGLCYSLIVRVLVRAHRHRGLRPRRQKALRMILAVVLVFFVCWLPENVFISVHLLQRTQPGAAPCKQSFRHAHPLTGHIVNLAAFSNSCLNPLIYSFLGETFRDKLRLYIEQKTNLPALNRFCHAALKAVIPDSTEQSDVRFSSAV
Atome Classification :
(20 SA)
.........10........20........30........40........50........--------60........70........80........90...-.....100....--...-------110-...-..-.-.--.120....-.-..130.......140.......150.......160......---.170.......-180-......-.190..-.----..-....200-.-..------.-------.....210-------..--------.-------..--.-----..---------.------220-------.-.......230.......240.-------------------------------------------.....------------------.---------------------------------------------------------------------------------------------------------------------------------------------------------------.---------------------------------------------------------------------------------------------------------------------------------------------------------------250------------------------------.-----------------------------.---.....260.......270.......280.......290..--.....300....---...310.......320.......330.......340.......350.......360.......370...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDVTSQARGV
G
L
EMYPGTAQPAAPNTTSPELNLSHP
L
L
G
T
A
LANGTGE
L
S
E
H
Q
Q
Y
V
I
G
L
--------
F
L
S
C
L
Y
T
I
F
L
F
P
I
G
F
VG
N
I
L
I
L
V
V
N
I
S
FREKMTIP-
D
L
Y
F
I
N
L
A
V
A
D
L
--
I
L
V
-------
A
D
--
S
L
I
-
E
V
-
F
-
N
--
L
H
E
R
Y
Y
D
I
-
A
-
V
L
C
T
F
M
S
L
F
L
Q
V
N
M
Y
S
S
V
F
F
L
T
W
M
S
F
D
R
Y
I
A
L
A
R
A
M
R
C
S
L
F
---RTKHH
A
R
L
S
C
G
-
L
I
W
-
M
ASVS
A
-
T
L
--
V
P
-
F
----
T
A
-
V
H
L
QH---T-DE------A-------C
F
C
F
A
D---------VR--------
E
-------
V
Q
--
W
-----
L
E
---------
V
------
T
L
--------
G
-
F
I
V
P
F
A
I
I
G
L
C
Y
S
L
I
V
R
V
L
-
V
-------------------------------------------
R
A
H
R
H------------------R---------------------------------------------------------------------------------------------------------------------------------------------------------------G---------------------------------------------------------------------------------------------------------------------------------------------------------------L
R
P
------------------------------
R
-----------------------------
R
---
Q
K
A
L
R
M
I
L
A
V
V
L
V
F
F
V
C
WLPE
N
V
F
I
S
V
H
L
L
QRTQPGAA
P
C
--
K
Q
S
F
RHAHPLT
G
---
H
I
V
N
L
A
A
F
S
NS
C
L
N
P
L
I
Y
S
F
L
G
E
T
F
R
D
K
L
R
L
Y
IEQKTN
L
P
A
L
N
R
F
C
H
A
A
L
K
A
VIPDSTEQS
D
V
R
FSSAV
23
HHSearch
86.18
26%
-143
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-498]
----------------------------------------------------------
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
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
-------------------------
25
HHSearch
79.25
23%
-128
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[29-457]
------------------------------------------------------------------------
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
GVR
T
-
V
E
------
D
-------
G
E
C
Y
I
Q
---------
F
F
SN
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
-----------------------------------
5
PsiBlast_PDB
78.92
27%
-139
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[92-406]
------------------
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
G
S
P
G
A
R
S
A
S
S
L
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
-
W
-
P
--
F
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
D
G
------
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
L
-------------
V
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
-------------------------------
46
Fugue
77.88
25%
-141
- C2 -
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
EY
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
PEDGDPDNGVNPGTDFKDIVCPLCGVG
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
D
F
Q
T
-
P
A
--
M
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
-----------------------------------------
24
HHSearch
77.85
21%
-143
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
--------------------------------------------------------------------
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
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
----------------------------------
4
PsiBlast_PDB
77.81
29%
-159
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[128-405]
-------------------------------------------------------
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
-------
P
Q
DY
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
---------------------------------------
8
PsiBlast_PDB
77.44
20%
-146
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
----------------------------------------------
P
C
Q
K
I
N
V
K
Q
I
A
A
R
--------
L
L
P
P
L
Y
S
L
-
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
-
D
I
Y
L
L
N
L
A
I
S
D
L
--
F
F
L
-------
L
T
--
V
P
F
-
W
A
-
H
-
Y
--
A
A
A
Q
W
D
F
G
-
N
-
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
-
I
T
W
-
V
V
A
V
F
A
-
S
L
P
N
I
I
-
F
----
T
R
-
S
Q
K
E
G
---
L
-
H
Y
------
T
-------
C
S
S
H
F
P
---------
Y
S
--------
Q
-------
Y
Q
--
F
-----
W
K
N
F
Q
T
L
K
I
--
V
------
I
L
--------
G
-
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
-
L
-------------------------------------------
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPD-
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------
V
N
P
GTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
E
EK
K
-----------------------------
R
---
H
R
D
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
L
N
T
F
Q
E
F
F
-
G
L
N
N
C
--
S
S
S
N
R
L
D
Q
A
M
-----
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
-----------------------------------
18
PsiBlast_PDB
76.93
24%
-153
- C2 -
4XNW
2
RUBR_CLOPA
A:
[37-382]
----------------------------------------------------
S
S
F
K
C
A
L
T
K
T
GFQFY
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
L
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
PEDGDPD
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------
V
N
P
------------------------------
G
TDFKDIPDDWVCPLCGVGKDQ
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
D
-
F
Q
T
P
A
--
M
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
-----------------------------------------
30
HHSearch
76.38
22%
-130
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[14-443]
------------------------------------------------------------------------
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
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
----------------------------------
3
PsiBlast_PDB
76.24
32%
-154
- C2 -
4XT3
2
US28_HCMVA
A:
[51-310]
--------------------------------------------------------------------------
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
-
D
N
------
Q
-------
C
M
T
D
Y
D
---------
Y
L
--------
E
-------
V
S
--
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
----------------------------------
2
PsiBlast_PDB
75.08
32%
-156
- C2 -
4XT1
13
US28_HCMVA
A:
[51-310]
--------------------------------------------------------------------------
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
------
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
-
D
N
------
Q
-------
C
M
T
D
Y
D
---------
Y
L
--------
E
-------
V
S
--
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
F
R
--------------------------------
17
PsiBlast_PDB
74.95
24%
-153
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-----------------------------------------------------
S
F
K
C
A
L
T
K
T
GF
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
PEDGDPD
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------
V
N
P
------------------------------
G
TDFKDIVCPLCGVGKDQ
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
D
-
F
Q
T
P
A
--
M
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
-----------------------------------------
31
HHSearch
73.62
19%
-133
* C2 *
3EML
13
ENLYS_BPT4
A:
[28-472]
-------------------------------------------------------------------------
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
QGCGEGQ
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
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
-----------------------------
7
PsiBlast_PDB
73.55
28%
-145
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[135-403]
-------------------------------------------------------------------------------
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
-
W
-
P
--
F
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
-
D
G
------
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
L
-------------
V
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
------------------------------------
9
PsiBlast_PDB
73.10
27%
-143
- C2 -
5C1M
7
?
A:
[30-293]
-------------------------------------------------------------------------------
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
W
P
F
-
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
----------------------------------------
6
PsiBlast_PDB
73.09
28%
-148
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[135-403]
-------------------------------------------------------------------------------
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
-
W
-
P
--
F
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
-
D
G
------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
L
-------------
V
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
------------------------------------
35
HHSearch
71.84
31%
-127
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[45-322]
------------------------------------------------------------------------
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
NDTAKWRM
V
-------
L
R
--
I
-----
L
P
---------
H
------
T
F
--------
G
-
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
-
F
-------------------------------------------
K
A
H
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
------------------------------
Q
-----------------------------
K
---
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
R
T
Q
V
I
Q
E
S
C
--
E
R
--
R
N
N
I
G
R
A
L
---
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
--------------------------------
1
PsiBlast_PDB
71.44
31%
-129
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[49-313]
----------------------------------------------------------------------------
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
FLFR
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
LRILPH
T
F
--------
G
-
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
-
F
-------------------------------------------
K
A
H
M
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
------------------------------
Q
-----------------------------
K
---
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
R
T
Q
V
I
Q
E
S
C
--
E
R
R
N
N
I
G
R
A
L
D
A
-----
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
--------------------------------
44
Fugue
71.07
19%
-105
- C2 -
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
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
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
70.50
21%
-144
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[46-472]
--------------------------------------------------------------------------
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
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
GTWDAYG
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
----------------------------------