@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 : PSYR_HUMAN: (2016-01-14 )
MNSTCIEEQHDLDHYLFPIVYIFVIIVSIPANIGSLCVSFLQAKKESELGIYLFSLSLSDLLYALTLPLWIDYTWNKDNWTFSPALCKGSAFLMYMNFYSSTAFLTCIAVDRYLAVVYPLKFFFLRTRRFALMVSLSIWILETIFNAVMLWEDETVVEYCDAEKSNFTLCYDKYPLEKWQINLNLFRTCTGYAIPLVTILICNRKVYQAVRHNKATENKEKKRIIKLLVSITVTFVLCFTPFHVMLLIRCILEHAVNFEDHSNSGKRTYTMYRITVALTSLNCVADPILYCFVTETGRYDMWNILKFCTGRCNTSQRQRKRILSVSTKDTMELEVLE
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.....-----------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNS
T
C
-
I
E
E
QH-----------------------D
L
D
H
Y
L
F
P
I
V
Y
I
F
V
I
I
VSIP
A
N
I
G
S
L
C
V
S
F
L
---
Q
A
KKESEL
G
I
Y
L
F
SL
S
L
S
D
L
L
Y
A
L-T--L
P
L
-
W
I
D
Y
T
WNKDN
W
T
FS
P
A
LCKG
S
A
F
L
M
Y
M
NFYSS
T
A
F
L
T
C
I
A
V
D
R
Y
L
A
V
V
Y
P
L
K
F
F
F
L
R
T
R
R
F
A
L
M
V
S
L
S
I
W
I
L
E
T
I
-----
F
N
A
V
M
L-WED
E
T
V
V
E
Y
CDA-EKS
N
F
T
L
C
YDKYPL
E
K
---
W
-
Q
I
N
L
N
L
F
RTCT----G
Y
--
A
---
I
P
L
V
T
I
L
IC-
N
R
---
K
V
---
Y
Q
A
-
V
RH-------------------------N---------------------------------------------K---------A-----------------------------------------------------------------------------------------------------------------------------------------------------------------T------------------------------------------------E
N
K
E
------------------------
K
----
K
R
I
I
K
L
L
V
S
I
T
V
T
----
F
V
L
----
C
F
T
P
F
H
V
M
L
L
I
R
C
I
-----
L
E
-HAVN---------------FEDHSNSG--
K
R
T
Y
T
-
M
Y
-
R
I
T
V
A
L
T
S
L
N
C
V
AD
P
I
L
Y
C
F
VTETGR------
Y
D
M
---
W
N
I
L
K
F
CTGR---------------CN
T
S
Q
R
Q
R
K
R
I
LSVSTK--D
T
M
E
L
E
VLE-----------------------------------------------------------------------------------------------
41
Fugue
94.61
30%
-119
- C3 -
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
MF
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
------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
92.97
27%
-122
- C3 -
4XNW
2
RUBR_CLOPA
A:
[41-380]
----
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
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
PEDGDPDNGV
N
---------------------------------------------
P
---------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
T
------------------------------------------------
D
F
K
D
IPDDWVCPLCGVGKDQ
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
90.26
27%
-123
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[41-380]
----
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
MF
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
PEDGDPDNGV
N
---------------------------------------------
P
---------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
T
------------------------------------------------
D
F
K
D
IVCPLCGVGKDQ
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
88.39
23%
-128
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-366]
---------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
85.73
24%
-121
- C3 -
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
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
----------------------------------------------------------------------------------------------------------------------
27
HHSearch
80.94
20%
-120
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
--------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
80.51
25%
-124
- C3 -
5C1M
7
?
A:
[23-290]
-------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
79.54
19%
-112
- C3 -
2KS9
1
NK1R_HUMAN
A:
[35-328]
----------------------------------------
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
NKI
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
IPGDSSDRY
H
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------
3
PsiBlast_PDB
79.38
27%
-117
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[131-398]
-------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
78.71
22%
-101
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---
P
C
F
R
E
E
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
GIGH
L
L
T
K
S
P
S
L
N
A
A
K
S
E
-----
L
D
-
K
A
I
G
RNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
--
V
R
G
I
L
-
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
------
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
RW
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
G
TW
D
A
Y
G
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
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
35
HHSearch
78.69
16%
-121
* C3 *
2Z73
5
OPSD_TODPA
A:
[32-337]
-----------------------------------
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
---------------------------------------------------------------------------------------------------
25
HHSearch
78.38
20%
-121
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[12-443]
-----------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
78.12
23%
-124
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[152-396]
----------------------------------------------------------------------
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
77.40
23%
-126
- C3 -
4N6H
21
OPRD_HUMAN
A:
[155-399]
----------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
76.97
23%
-126
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[152-396]
----------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.84
25%
-133
- C3 -
4XT1
14
US28_HCMVA
A:
[46-310]
--------------------------------------
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
-----
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
PH
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
KW
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
--------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
76.70
25%
-131
- C3 -
4XT3
2
US28_HCMVA
A:
[46-310]
--------------------------------------
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
PH
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
KW
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
----------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
76.65
17%
-94
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
-
G
P
N
F
Y
VPFSNKTGVVRSPFEAPQYYLAE
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
AA-----------------------
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
----------------------------------------------------------------------------------------------------------
31
HHSearch
75.93
27%
-113
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[35-322]
----------
E
-----------------------
T
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
---
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
--
L
P
I
-
W
A
A
S
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
-
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
-----
L
S
L
P
F
F
-
L
F
R
--
Q
A
-
Y
H
P
N
---
N
S
S
P
V
C
Y
E
V
L
G
N
D
T
AK-
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
--------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
75.77
18%
-120
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
-----------------------------------
N
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
---
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
-
A
--
Y
T
A
-
N
L
L
L
S
G
-
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
--------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
-----
L
G
G
L
P
I
-
M
G
W
--
N
C
I
-------
S
A
L
S
S
C
S
T
V
L
P
L
Y
------
H
-
K
H
Y
I
L
F
C
T
T
----
V
F
--
T
---
L
L
L
L
S
I
V
I
L
-
Y
C
---
R
I
---
Y
S
L
-
V
R
T
-------------------------
R
---------------------------------------------
N
---------
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA--
S
------------------------------------------------
R
S
S
E
------------------------
N
----
V
A
L
L
K
T
V
I
I
V
L
S
V
----
F
I
A
----
C
W
A
P
L
F
I
L
L
L
L
D
V
G
-----
C
K
-
V
K
-----------------------
T
C
--
D
-
I
L
F
-
R
A
-
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
------
R
A
F
---
I
R
I
M
G
R
P
L
--------------------------------------------------------------------------------------------------------------------------------------------