@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 : PF13288_DXR_MYCS2: (2014-10-19 )
MTTSAASGEPGRQRVLILGSTGSIGTQALEVIAANPDRFEVVGLAAGGGNPELLAAQRAQTGVAAVAVADPAAAEAVGDVRYSGPDAVTRLVEDTEADVVLNALVGALGLQPTLAALATGARLALANKESLVAGGPLVLKAAAPGQIVPVDSEHSAMAQCLRGGTRAELDKIVLTASGGPFLGWSAEDLKSVTPEQAGKHPTWSMGPMNTLNSATLVNKGLELIETHLLFGVDYDDIDVVVHPQSIVHSMATFTDGSTLAQASPPDMKLPIALALGWPDRIAGAAAACDFSTASTWEFLPLDNAVFPAVDLARFAGKQGGCLTAVYNSANEEAAEAFLDGRIGFPDIVETVGDVLHAADRWAAEPATVDDVLDAQRWAREQARGVVEQKSVRRGLVTK
Atome Classification :
(21 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.......390......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTTSAASGEPG
R
Q
R
V
L
I
LGSTGS
I
G
T
Q
A
L
E
V
I
AANPD
R
F
E
V
V
G
L
AAGGG
N
P
E
L
L
A
A
Q
RAQTG
V
A
A
V
A
VADP
A
A
A
E
AVGDVRYS
G
P
D
A
V
T
R
L
V
EDT
E
A
D
V
V
L
N
A
L
V
G
ALGL
Q
P
T
L
A
A
L
ATG
A
R
L
A
LANKESLVAGG
P
L
V
L
K
AAAPG
Q
I
V
PVD
S
E
H
S
A
M
A
Q
C
L
RGG
T
R
A
E
L
D
K
I
V
L
TASGGPFLGW
S
A
E
D
L
K
SV
T
P
E
QAGKHPTWSMGPMNTL
N
S
A
T
L
V
N
K
G
L
E
L
I
E
T
H
L
L
F
GVDYDD
I
D
V
V
V
H
P
Q
S
I
V
H
S
M
A
TFTDGSTLAQASPPDMK
L
P
I
A
L
ALGW
P
D
R
IAGAAAACDFSTAS
T
W
E
F
LPLDNAV
F
P
A
V
D
L
A
R
F
AGKQG
G
C
L
T
A
V
YNSA
N
E
E
A
A
E
A
F
LDGRIG
F
P
D
I
V
E
T
V
G
D
V
L
H
A
A
D
RWAAEPA
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
Q
A
R
G
V
V
E
Q
K
S
V
RRGLVTK
8
PsiBlast_PDB
81.55
77%
-104
- C1 -
2Y1F
2
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
------
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
9
PsiBlast_PDB
79.50
77%
-103
- C1 -
2Y1G
1
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
-----
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
37
PsiBlast_CBE
74.46
77%
-105
- C1 -
2JCX
1
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
N
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
Q
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
14
PsiBlast_PDB
72.42
77%
-103
- C1 -
3ZHY
2
DXR_MYCTU
A:
[19-394]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
-----
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
31
PsiBlast_CBE
69.31
77%
-103
* C1 *
2JCV
1
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
21
PsiBlast_CBE
69.03
77%
-106
- C1 -
4AIC
1
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
15
PsiBlast_PDB
68.52
77%
-101
- C1 -
3ZHX
1
DXR_MYCTU
A:
[19-394]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
-------
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
16
PsiBlast_PDB
66.46
77%
-101
- C1 -
2JCX
2
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
N
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
Q
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
25
PsiBlast_CBE
66.33
77%
-104
- C1 -
2Y1F
1
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
23
PsiBlast_CBE
63.87
77%
-104
- C1 -
3RAS
3
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
11
PsiBlast_PDB
63.38
77%
-101
- C1 -
4AIC
2
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
4
PsiBlast_PDB
63.24
77%
-103
- C1 -
3RAS
3
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
1
PsiBlast_PDB
62.95
77%
-100
- C1 -
2JCV
2
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
22
PsiBlast_CBE
62.69
77%
-101
- C1 -
4A03
2
DXR_MYCTU
B:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
10
PsiBlast_PDB
61.24
77%
-101
- C1 -
4A03
3
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
2
PsiBlast_PDB
60.66
77%
-99
- C1 -
2JD1
1
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
6
PsiBlast_PDB
60.38
77%
-106
- C1 -
2Y1D
1
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
----------
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
----------
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
18
PsiBlast_PDB
58.88
77%
-102
- C1 -
2JD0
1
DXR_MYCTU
A:
[20-395]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
N
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
T
W
S
M
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
Q
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
13
PsiBlast_PDB
57.97
77%
-104
- C1 -
3ZHZ
1
DXR_MYCTU
A:
[19-394]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
-------
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
G
A
H
P
-------
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
33
PsiBlast_CBE
57.59
77%
-103
- C1 -
3ZHY
2
DXR_MYCTU
B:
[19-394]
----------
G
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
A
D
E
H
A
A
Q
R
V
G
D
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
--------
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------
12
PsiBlast_PDB
45.34
77%
-111
- C1 -
3ZI0
1
DXR_MYCTU
A:
[20-394]
-----------
R
L
R
V
V
V
L
G
S
T
G
S
I
G
T
Q
A
L
Q
V
I
A
D
N
P
D
R
F
E
V
V
G
L
A
A
G
G
A
H
L
D
T
L
L
R
Q
R
A
Q
T
G
V
T
N
I
A
V
-----------
I
P
Y
H
G
S
D
A
A
T
R
L
V
E
Q
T
E
A
D
V
V
L
N
A
L
V
G
A
L
G
L
R
P
T
L
A
A
L
K
T
G
A
R
L
A
L
A
N
K
E
S
L
V
A
G
G
S
L
V
L
R
A
A
R
P
G
Q
I
V
P
V
D
S
E
H
S
A
L
A
Q
C
L
R
G
G
T
P
D
E
V
A
K
L
V
L
T
A
S
G
G
P
F
R
G
W
S
A
A
D
L
E
H
V
T
P
E
Q
A
--------
G
P
M
N
T
L
N
S
A
S
L
V
N
K
G
L
E
V
I
E
T
H
L
L
F
G
I
P
Y
D
R
I
D
V
V
V
H
P
Q
S
I
I
H
S
M
V
T
F
I
D
G
S
T
I
A
Q
A
S
P
P
D
M
K
L
P
I
S
L
A
L
G
W
P
R
R
V
S
G
A
A
A
A
C
D
F
H
T
A
S
S
W
E
F
E
P
L
D
T
D
V
F
P
A
V
E
L
A
R
Q
A
G
V
A
G
G
C
M
T
A
V
Y
N
A
A
N
E
E
A
A
A
A
F
L
A
G
R
I
G
F
P
A
I
V
G
I
I
A
D
V
L
H
A
A
D
Q
W
A
V
E
P
A
T
V
D
D
V
L
D
A
Q
R
W
A
R
E
R
A
Q
R
A
V
------------