@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 : GPR35_HUMAN: (2016-01-10 )
MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
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.......---------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNGTYNT-----------------C-------GSSDLTWP----------P
A
I
K
L
G
F
-
Y
A
Y
L
G
V
L
L
V
L
G
L
L
L
N
S
L
A
L
W
V
F
C
C
R
M
Q
Q
WTE
T
R
I
Y
M
TN
L
A
V
A
D
L
C
L
L
C
-
T
-
L
P
F
----
V
L
H
S
LR-D----T--S-D----T-
P
----
L
C
Q
LSQ
G
I
Y
L
TN
R
Y
M
S
I
S
L
V
T
A
I
A
VDR
Y
V
A
VRH
P
L
R
ARGL---RS
P
R
Q
A
A
A
-
V
C
A
V
L
W
V
L
-------
V
---
I
G
S
L
---
V
A
-
R
--
W
-
L
---
L
-
G
I------Q--EG--
G
--
F
C
-----F-----R-------S--TR---H----------N------F------
N
S
----------------
M
A
---
F
P
----
L
L
--------
G
--
F
Y
L
P
L
A
V
V
V
F
C
------
S
---
L
K
V
V
T
A
L
AQ------------------------R-----------------------------------PPTD----------------------V--------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Q
A
E
A
T
-------
R
K
A
A
R
M
V
W
A
N
L
L
V
F
V
V
C
F
L
P
L-HV
G
L
----
T
V
R
L
AVG
W
-----
N
-----
A
----
C
A
L
L
E
T
I
R
R
------
A
L
--
Y
I
TSKLS
D
A
N
C
C
L
D
A
I
C
Y
Y
Y
M
A
K
E
F
Q
EAS
A
L
A
VAPSAKAHKSQD
S
L
C
V
TLA---------
5
PsiBlast_PDB
83.06
23%
-143
- C6 -
4MBS
8
CCR5_HUMAN (first)
A:
[36-359]
---------------------------------------
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
FG--
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
PYSQ
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
PEDGDPDNGV
N
-----------------------------------
P
G
T
D
FKDIPDDWVCPLCGVGKDQ
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
--------------------------
50
Fugue
81.75
27%
-155
- C6 -
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
WIFG
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
TI
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
PEDGDPDNGVNPGTDFKDIVC
P
L
C
G
----------------------
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
D
Q
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
DFQTP
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
--------------------------------
11
PsiBlast_PDB
79.82
27%
-146
- C6 -
4N6H
23
C562_ECOLX (first)
A:
[123-403]
---------------------------------------------------
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
FG
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
----------------------
9
PsiBlast_PDB
79.69
27%
-150
- C6 -
4RWA
2
C562_ECOLX (first)
A:
[120-400]
---------------------------------------------------
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
FG
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
---------------------------
10
PsiBlast_PDB
78.92
27%
-147
- C6 -
4RWD
7
C562_ECOLX (first)
A:
[120-400]
---------------------------------------------------
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
FG
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
---------------------------
4
PsiBlast_PDB
78.67
23%
-158
- C6 -
4XNW
2
RUBR_CLOPA
A:
[59-382]
---------------------------------------------------------------
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
WIFG
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
TI
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
PEDGDPDNGVN----------
P
G
T
D
FKDIPDDWVCPLCG--------
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
D
Q
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
FQTPA
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
--------------------------------
3
PsiBlast_PDB
77.95
23%
-158
- C6 -
4XNV
15
P2RY1_HUMAN
A:
[59-382]
---------------------------------------------------------------
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
WIFG
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
TI
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
PEDGDPDNGVN----------
P
G
T
D
FKDIVCPLCG------------
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
D
Q
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
FQTPA
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
--------------------------------
52
Fugue
75.17
20%
-118
- C6 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
NFYVPFSNKTGVVRSPF
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
GYF
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
APP
L
V
-
G
--
W
-
S
---
R
-
Y
I
------
P
--
E
G
MQ
C
--
S
C
-----
G
I
DYYT
P
-------
H
--
E
E
---
T
----------
N
------
N
------
E
S
----------------
F
V
---
I
Y
----
M
F
--------
V
VH
F
I
I
P
L
I
V
I
F
F
C
------
Y
---
G
Q
L
V
F
T
V
K
E
------------------------
A
-----------------------------------
A
A
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------
32
HHSearch
74.09
22%
-134
- C6 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-495]
---------------------------------------
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
----------------
42
HHSearch
73.41
22%
-128
- C6 -
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
VW
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
GTWDAY
G
V
P
L
R
E
-------
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
-
F
L
T
H
----
V
L
N
T
H
C
Q
T
-----
C
--------------
H
V
S
P
E
------
L
Y
--
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
-------------------------
40
HHSearch
72.71
19%
-118
- C6 -
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
KW
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
VL
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
---------
41
HHSearch
71.94
21%
-138
- C6 -
2KS9
1
NK1R_HUMAN
A:
[33-323]
------------------------------------------------------
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
EW
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
TET---
M
--
P
S
R-
V
--
V
C
-----
M
-----
I
-------
E
W-
P
E
---
H
PNK-------
I
------
Y
E
K
V
---
Y
H
----------------
I
C
---
V
T
----
V
L
--------
I
--
Y
F
L
P
L
L
V
I
G
Y
A
------
Y
---
T
V
V
G
I
T
L
W
A
------------------------
S
-----------------------------------
E
I
P
G
DSSDRY----------------
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
---------
7
PsiBlast_PDB
71.62
26%
-146
- C6 -
5C1M
7
?
A:
[22-294]
-----------------------------------------------------------
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
WP
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
-------------------------------
44
HHSearch
71.43
26%
-127
- C6 -
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
AY----
H
PN
N
S
S-
P
--
V
C
-----
Y
-----
E
-------
V
LG
N
D
---
T
A---------
K
------
W
RMV---
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
-----------------------
39
HHSearch
71.20
21%
-128
- C6 -
3EML
13
ENLYS_BPT4
A:
[21-468]
-----------------------------------------------------
S
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
CGQ-------
S
--
Q
--
G
C
-----
G
-----
E
GQVACLF
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
--------------------
17
PsiBlast_PDB
71.13
28%
-135
- C6 -
2LNL
-
CXCR1_HUMAN
A:
[47-315]
--------------------------------------------------------------
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
GW--
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
SPVCYEVLGNDTAKWR
M
V
---
L
R
----
I
L
PHTF----
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
-----------------------
2
PsiBlast_PDB
70.89
24%
-148
- C6 -
4XT3
2
US28_HCMVA
A:
[49-316]
--------------------------------------------------------------
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
A
E
-------------------------
8
PsiBlast_PDB
70.19
30%
-143
- C6 -
4EA3
3
C562_ECOLX (first)
A:
[137-401]
------------------------------------------------------------------
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
VE--
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
------------------------------
33
HHSearch
69.70
18%
-132
* C6 *
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
-----------------------------------------------------
V
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
YW
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
GVRT
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
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
--------------------------
51
Fugue
69.51
21%
-110
- C6 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
-----------------
N
FYVPFSN
K
T
G
V
V
R
S
P
FEAPQYYLAE
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
GYF-
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
MQ
C
--
S
C
G
I
DYY
T
-----
P
-------
H
--
E
E
---
T
----------
N
------
N
------
E
S
----------------
F
V
---
I
Y
----
M
F
--------
V
VH
F
I
I
P
L
I
V
I
F
F
C
------
Y
G
Q
L
V
F
T
V
K
E
A
A
A
------------------------
Q
-----------------------------------
Q
Q
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
G
S
-----
D
-----
F
----
G
P
I
F
M
T
I
P
A
------
F
F
--
A
K
T
S
A
V
------
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
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