@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 : PAR4_HUMAN: (2016-01-14 )
MWGRLLLWPLVLGFSLSGGTQTPSVYDESGSTGGGDDSTPSILPAPRGYPGQVCANDSDTLELPDSSRALLLGWVPTRLVPALYGLVLVVGLPANGLALWVLATQAPRLPSTMLLMNLAAADLLLALALPPRIAYHLRGQRWPFGEAACRLATAALYGHMYGSVLLLAAVSLDRYLALVHPLRARALRGRRLALGLCMAAWLMAAALALPLTLQRQTFRLARSDRVLCHDALPLDAQASHWQPAFTCLALLGCFLPLLAMLLCYGATLHTLAASGRRYGHALRLTAVVLASAVAFFVPSNLLLLLHYSDPSPSAWGNLYGAYVPSLALSTLNSCVDPFIYYYVSAEFRDKVRAGLFQRSPGDTVASKASAEGGSRGMGTHSSLLQ
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.......380...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MWG
R
L
L
L
W
P
L
V
L
GFSLSGGTQT
P
S
V
YDESGSTGGGDDSTPSILPAPRGYPGQVCANDSD
T
L
ELPDSS
R
A
L
L
L
GW
V
P
T
R
L
V
P
A
L
Y
G
L
V
L
V
VGLPAN
G
L
A
L
W
V
-
L
AT-Q-A-P-RL
P
S
--
T
--
M
L
L
M
N
L
A
A
A
D
L
L
L
A
LAL-PPR
I
A
-
Y
H
LRGQRWP
F
G
E
A
A
C
R
L
A
T
A
A
L
Y
G
H
M
Y
G
S
V
L
L
L
A
A
V
S
L
D
R
Y
L
A
L
V
H
P
L
R
A
R
A
L---RG
R
R
L
A
L
G
L
C
M
A
A
--
W
L
M
A
A
A
L
ALPLT
L
Q
-
R
Q
T
F
R
L
-ARSD
R
----
V
L
CHDALPLDA--QASHW
Q
P
A
F
-
T
C
-
L
-
A
L
L
G
C
F
-
L
P
L
L
A
M
L
L
CYG------
A
T
L
---------
H
T
L
-----------------------------------------------------
A
ASG--------------------------------------------------------------------------------------------------------------------------------------------------------------------R---------------------------------------------------------------------------------------------------------------------------------------------------------------------RY-G--------------------------------------------H-------------------------------------------------
A
L
R
L
T
A
V
V
L
A
---------
S
A
V
A
F
FVP------S
N
L
L
L
------
L
------
L
H
-----YSDPS------P-------
S
------
A
W
G
N
-
L
-----
Y
G
A
Y
V
P
S
L
A
L
S
T
L
N
S
C
V
D
P
F
I
Y
Y
YVS
A
E
F
R
D
K
V
-------
R
A
G
L
FQ-RSPGD
T
V
A
SKASAEGGSRGMGT
H
S
S
LLQ
53
Fugue
90.57
25%
-136
- 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
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
FQTPAM
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
-------------------------------------------
33
HHSearch
88.74
24%
-134
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
-----------------------------------------------------------------------
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
-
M
G
Y
-
Q
-
K
-
K
L
R
S
M
T
--
D
--
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
T
L
-
P
F
W
A
V
-
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
--
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
---
A
D
D
R
----
Y
I
C
D
R
F
Y
P
N
D
L
-----
W
V
V
V
F
Q
-
F
Q
-
H
-
I
M
V
G
L
I
-
L
P
G
I
V
I
L
S
C
Y
C
------
I
I
I
---------
S
K
L
-----------------------------------------------------
S
H
S
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
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
TGTWDAYGSK
G
H
Q
K
-
R
--------------------------------------------
K
-------------------------------------------------
A
L
K
T
T
V
I
L
I
L
---------
A
F
F
A
C
W
L
P
------
Y
Y
I
G
I
------
S
------
I
D
-----
S
F
I
L
L
EI
I
K
Q
G
C
-------
E
------
F
E
N
T
-
V
-----
H
K
W
I
S
I
T
E
A
L
A
F
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
-------------------
8
PsiBlast_PDB
88.74
24%
-161
- C5 -
4MBS
8
CCR5_HUMAN (first)
A:
[30-366]
--------------------------------------------------------------------------
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
EGL
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
FQEF
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
-----------------------------
2
PsiBlast_PDB
87.42
23%
-139
- C5 -
4XNW
2
RUBR_CLOPA
A:
[54-382]
--------------------------------------------------------------------------------
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
-----------------------------------------------------
T
V
C
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
Y
-
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
-------------------------------------------
1
PsiBlast_PDB
86.97
23%
-140
- C5 -
4XNV
15
P2RY1_HUMAN
A:
[54-382]
--------------------------------------------------------------------------------
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
-----------------------------------------------------
T
V
C
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
Y
-
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
-------------------------------------------
4
PsiBlast_PDB
85.20
27%
-149
- C5 -
4EA3
3
C562_ECOLX (first)
A:
[128-401]
-------------------------------------------------------------------------------
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
D
Y
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
RGVRLLSGS--------------------------------------------
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
----------------------------------
43
HHSearch
84.69
24%
-146
- 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
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
GTWDAYGVP
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
-----------------------------
34
HHSearch
80.73
20%
-134
- 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
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
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
TGTWDAYPPP-
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
------------------------------
38
HHSearch
80.29
23%
-140
- C5 -
2KS9
1
NK1R_HUMAN
A:
[33-326]
-----------------------------------------------------------------------------
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
IPGDSSDRYH
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
42
HHSearch
80.26
20%
-136
- C5 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-----------------------------------------------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
-
V
W
L
-
N
-
S
-
N
L
Q
N
V
T
--
N
--
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
-
T
I
S
--
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
--
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
N
N
C
G
Q
-----
S
----
Q
G
C
G
E
G
Q
V
A
C
L
FE
D
V
V
P
M
N
Y
M
V
-
Y
F
-
N
-
F
F
A
C
V
L
-
V
P
L
L
L
M
L
G
V
Y
L
------
R
I
F
---------
L
A
A
-----------------------------------------------------
R
R
Q
L
N
I
F
E
M
L
R
I
D
E
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
-----------------------
40
HHSearch
79.14
18%
-136
* C5 *
2Z73
5
OPSD_TODPA
A:
[31-333]
-------------------------------------------------------------------------
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
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
--
W
L
W
S
V
L
W
A
I
G
P
I
F
G
-
W
G
A
Y
T
--
L
E
G
V
L
----
C
N
C
S
F
D
Y
I
S
R
D
--
S
--
T
T
R
S
N
I
-
L
C
-
M
-
F
I
L
G
F
F
-
G
P
I
L
I
I
F
F
C
Y
F
------
N
I
V
---------
M
S
V
-----------------------------------------------------
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
----------------------------------------------------------------------------------------------------------------------------------------------
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
E
-
M
--------------------------------------------
R
-------------------------------------------------
L
A
K
I
S
I
V
I
V
S
---------
Q
F
L
L
S
W
S
P
------
Y
A
V
V
A
------
L
------
L
A
-----
Q
F
G
P
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
--
54
Fugue
78.92
17%
-102
- 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
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
ASATTQ--------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------
35
HHSearch
78.66
18%
-142
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[37-477]
-------------------------------------------------------------------------
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
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
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
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
-----------------------------
6
PsiBlast_PDB
78.07
33%
-132
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[46-314]
-----------------------------------------------------------------------------------
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
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
HHSearch
77.94
31%
-124
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
---------------------------------------------------------------------------
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
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
--------------------------
56
Fugue
77.28
18%
-86
- 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
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
KE---------------------------------------------------
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
GSDFG
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
77.28
18%
-145
- C5 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-------------------------------------------------------------------------------
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
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
TGTWDAYLHM-
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
76.47
25%
-145
- C5 -
5C1M
7
?
A:
[20-293]
-------------------------------------------------------------------------------
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
-
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
------------------------------------------
16
PsiBlast_PDB
74.32
26%
-154
- C5 -
4XT3
2
US28_HCMVA
A:
[47-316]
----------------------------------------------------------------------------------
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
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
AE------------------------------------
15
PsiBlast_PDB
73.48
26%
-157
- C5 -
4XT1
13
US28_HCMVA
A:
[47-318]
----------------------------------------------------------------------------------
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
-------
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
----------------------------------