@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 : PAR3_HUMAN: (2016-01-14 )
MKALIFAAAGLLLLLPTFCQSGMENDTNNLAKPTLPIKTFRGAPPNSFEEFPFSALEGWTGATITVKIKCPEESASHLHVKNATMGYLTSSLSTKLIPAIYLLVFVVGVPANAVTLWMLFFRTRSICTTVFYTNLAIADFLFCVTLPFKIAYHLNGNNWVFGEVLCRATTVIFYGNMYCSILLLACISINRYLAIVHPFTYRGLPKHTYALVTCGLVWATVFLYMLPFFILKQEYYLVQPDITTCHDVHNTCESSSPFQLYYFISLAFFGFLIPFVLIIYCYAAIIRTLNAYDHRWLWYVKASLLILVIFTICFAPSNIILIIHHANYYYNNTDGLYFIYLIALCLGSLNSCLDPFLYFLMSKTRNHSTAYLTK
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)
MK
A
L
I
F
A
A
A
G
L
L
L
L
L
P
T
F
C
QSGMENDTNNLAKPTLPIKTFRGAPPN
S
F
E
EFP
F
S
A
LEGWTG
A
T
I
T
V
K
I
KCPEESAS
H
L
H
V-KN
A
-
T
M
G
Y
L
-------
T
S
S
L
S
T
K
L
-----
I
P
A
I
Y
L
L
V
F
V
VGVPA
N
A
-
V
T
L
W
M
L
F
-
F
R
T
R
-
S
I
-
C
T
-
T
V
F
Y
T
N
L
A
I
A
D
F
L
F
C
VT-L-
P
F
K
I
A
Y
H
LNGN
N
W
V
F
G
E
V
L
C
R
A
T
T
V
I
F
YG
N
M
Y
C
S
I
L
L
L
A
C
I
SIN
R
Y
L
A
I
VHP---FTYRGL---PK
H
T
Y
A
L
V
T
C
G
L
V
W
A
T
V
F
L
Y
M
L
P
F
F
I
L
-
K
Q
E
Y
Y
L
V-QPDI
T
-
T
--
C
H
D
V
H
N
TCESSS-
P
F
Q
L
Y
Y
F
-----
I
-----
S
L
A
-----
F
F
G
F
L
I
P
F
V
L
I
I
Y
C
Y
A
A
I
I
R
T
L
---------NA----------Y-------------D---------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
R
W
L
W
Y
V
---------------------------------------------
K
A
S
L
L
I
L
V
I
F
T
I
C
FAP--S
N
I
I
L
---------
I
I
H-HA
N
Y
Y
Y------N------NTD
G
L
Y
F
I
Y
L
-
I
A
L
C
L
G
S
L
N
S
C
L
D
P
F
L
Y
F
L
M
S
KTRNHSTAYLTK--------------------------
40
Fugue
93.24
32%
-166
- C4 -
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
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
QTPAM
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
--------------------------------
23
HHSearch
89.09
26%
-170
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-492]
--------------------------------------------------------------------------------------------------
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
SN
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
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
--------------------------
25
HHSearch
82.18
23%
-165
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-476]
------------------------------------------------------------------------------------------------------
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
TGTWDAYKFC--
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
--------------------------
26
HHSearch
82.03
20%
-169
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-442]
--------------------------------------------------------------------------------------------------------------
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
--------------------------
14
PsiBlast_PDB
81.45
26%
-165
- C4 -
4N6H
23
C562_ECOLX (first)
A:
[88-399]
------------------------------------------------------------------
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
GSPG
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
RLLSGS
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
--------------------------
13
PsiBlast_PDB
81.40
26%
-161
- C4 -
4RWD
7
C562_ECOLX (first)
A:
[88-396]
------------------------------------------------------------------
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
-------
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
RLLSGS
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
---------------------------
12
PsiBlast_PDB
81.23
26%
-161
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[88-396]
------------------------------------------------------------------
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
-------
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
--GS-------
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
---------------------------
15
PsiBlast_PDB
80.40
27%
-170
- C4 -
5C1M
7
?
A:
[20-290]
--------------------------------------------------------------------------------------------------------------
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
RMLSGS
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
-------------------------------
27
HHSearch
80.30
21%
-154
- C4 -
2KS9
1
NK1R_HUMAN
A:
[31-321]
-----------------------------------------------------------------------------------------------------
Q
I
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
EIPGDSSDRYH
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
--------------------------
3
PsiBlast_PDB
80.12
31%
-156
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[34-315]
-------------------------------------------------------------------------------------------------
T
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
PV
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
FKAH-----
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
RTQ
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
--------------------------
42
Fugue
79.95
15%
-142
- C4 -
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
AASA---------
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
CGKNPSTTVSKTETS
Q
V
A
P
A------
4
PsiBlast_PDB
79.00
25%
-172
- C4 -
4EA3
3
C562_ECOLX (first)
A:
[121-399]
-----------------------------------------------------------------------------------------------------
P
L
G
L
K
V
T
--
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
-
L
V
M
Y
V
I
L
-
R
H
T
K
M
K
T
-
A
T
-
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
T
-
L
-
P
F
Q
G
T
D
I
L
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
-------------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
-
G
S
----------
A
-
Q
--
V
E
D
E
E
I
E
C
L
V
E
I
-
P
T
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
VRLLSGSRE-
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
------------------------------
31
HHSearch
78.08
20%
-161
- C4 -
3EML
13
ENLYS_BPT4
A:
[22-466]
-------------------------------------------------------------------------------------------------------
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
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
--------------------------
32
HHSearch
78.05
17%
-153
* C4 *
2Z73
5
OPSD_TODPA
A:
[31-331]
---------------------------------------------------------------------------------------------------
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
--------------------------
33
HHSearch
77.94
28%
-157
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[38-321]
-----------------------------------------------------------------------------------------------------
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
--------------------------
41
Fugue
77.23
17%
-122
- C4 -
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
---------
K
E
AAAQQQESA
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
CGKNPLGDDEA
S
T
T
V
S
K
TETSQVAPA
24
HHSearch
77.08
21%
-155
- C4 -
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
--------------------------
34
HHSearch
76.94
21%
-165
- C4 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-471]
--------------------------------------------------------------------------------------------------------------
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
--------------------------
30
HHSearch
72.81
17%
-154
- C4 -
1U19
14
OPSD_BOVIN
A:
[37-323]
---------------------------------------------------------------------------------------------------
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
AQQQESA
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
--------------------------
2
PsiBlast_PDB
70.45
37%
-185
- C4 -
4XNW
1
RUBR_CLOPA
A:
[53-243]
--------------------------------------------------------------------------------------------------------------
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
T
V
---------------------------------------------
C
G
Y
I
Y
N
P
E
D
G
D
P
D
N
G
V
--
N
P
G
T
D
---------
F
K
D
-
I
P
D
D
W
V
------
C
------
P
L
C
G
V
G
K
D
Q
F
-
E
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
--------------------------