@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 : Wbm0474: (2015-12-01 )
MKEQDKIFTNLSGKETPLLKGAKKRGSWQKTKELLDLGSEKIIDEVRKSGLRGRGGAGFSTGLKWSFMPKNPSKEQPTYLVVNADESEPGTCKDRDILRYEPHKLLEGVLLASRAISASVAYIYIRGEFYNEYLVLKQALEEAYKEGLIGKNACKSSYDLNVFIHRGAGAYICGEETAQLESIEGKKGFPRMKPPFPAGVGLFGCPTTINNVETIAMVPDILYRGGEWFASLGKPNNTGTKIFCVSGHVNNPCNVEEELGIPLRELIEEYAGGVRGGWDNLLAVIPGGSSVSLIPKSICDIIKMDFDSLRAAQSGLGTAAVIVMDKSTDIIAAIERLSHFYMHESCGQCTPCREGTGWMWRIMKRMVTGNIKHGEIDKLLDLTTQIEGNTICALGDAAAWPIQGLIRHFRHVIEERAITKLSVY
Atome Classification :
(20 SA)
------.........10........20.....------...30-------------------------------..-.-.-.-...40..----......50...-----.....60........70.------.......80........90-------......------...100.......-110.......--120..--.....130........140.----......150........160.----......170.....----..180--.......190........200.......210.......220.......230.......240...-....250....---------...-260.......270...---------...-----.-280.......290...--..-..300........310.......320.......330.......340-........350....-.-..360--------.........370.......380...------....390........400.....--..410----........420..---------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------MKE
Q
D
K
IFTNLSGKETP
L
L
KG
A
K
KRG------
S
W
Q
K
T
-------------------------------
K
E
-
L
-
L
-D-LG
S
E
K
I
I
----
D
E
V
R
KSGLRGR-----GGAGFSTG
L
K
W
SFMPKNP------SKEQP
T
Y
L
V
V
NADESEPG--------TCKDRD------ILRY
E
P
H
K
L
L
E
G
V
-
L
L
A
S
R
AIS
A
S
--
V
A
Y
I
Y
--
I
R
G
E
F
Y
-
N
E
Y
L
V
L
K
Q
A
L
E
E
A
----
Y
KEGLIG-KNACKSSY
D
L
N
V
F
----
I
HRGA
G
A
Y
I
CGEET----A
Q
L
ES--IEGKKGFP-RMKPPFPAGVGLFGCPTTINN
V
E
T
I
A
M
V
P
D
I
L
YRG
G
E
W
F
A
SLGKPNNTG
T
K
I
F
C
V-SGHVNNPCN
V
E
---------
E
EL-GI
P
L
R
E
L
I
E
E
Y
AGGVR---------GGW-----D-
N
L
L
A
VIPGG
S
S
V
S
L
I
P
--
K
S
-
I
C
D
I
-
I
K
M
D
F
D
S
L
R
A
A
Q
SGLG
T
A
A
V
I
V
MDKS
T
D
I
I
A
A
I
E
R
L
S
H
F
Y
--
M
H
ESCGQCTPCREGT-
G
-
W
M
W
----------
R
I
M
K
R
M
VTGNIKHG
E
I
D
K
L
L
D
L
T
TQ------IEG
N
T
I
-
C
ALGDAA
A
W
P
I
Q
G
L
I
R
--
H
F
R
H
-----
V
I
E
E
RAITKLSVY---------------------------
16
PsiBlast_CBE
98.18
45%
-91
* C4 *
3M9S
17
NQO1_THET8
A:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
Q
Y
L
A
L
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
53
Fugue
97.95
44%
-85
- C4 -
2FUG
-
?
?:
[7-438]
--S
G
L
D
P
R
F
E
R
T
L
Y
A
H
V
G
K
E
G
S
W
T
L
D
Y
Y
L
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
-
K
E
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
--
Q
H
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
------------
P
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
--
F
T
-
E
E
V
L
D
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
-----
Q
Y
L
A
L
A
R
E
K
R
P
V
P
RPSLWR---------------------
20
PsiBlast_CBE
97.91
45%
-91
- C4 -
3IAM
2
NQO1_THET8
A:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
Q
Y
L
A
L
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
21
PsiBlast_CBE
97.88
45%
-91
- C4 -
3I9V
2
NQO1_THET8
A:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
Q
Y
L
A
L
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
23
PsiBlast_CBE
97.77
45%
-96
- C4 -
2FUG
32
NQO1_THET8
J:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
24
HHSearch
97.36
46%
0
- C- -
3I9V
-
NQO15_THET8 (first)
1:
[24-430]
-------------------
E
G
S
W
T
L
D
Y
Y
L
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
V
L
-
K
-
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
--------
G
K
Q
H
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
L
-----------------
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
--
F
T
E
E
V
L
D
-
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
-
A
G
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
-----
Q
Y
L
A
L
A
R
E
K
R
P
V
P
---------------------------
7
PsiBlast_PDB
96.80
45%
0
- C- -
4HEA
-
NQO10_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
6
PsiBlast_PDB
96.80
45%
0
- C- -
2YBB
-
COX1_BOVIN (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
5
PsiBlast_PDB
96.80
45%
0
- C- -
3M9S
-
NQO15_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
4
PsiBlast_PDB
96.80
45%
0
- C- -
3IAS
-
NQO15_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
3
PsiBlast_PDB
96.80
45%
0
- C- -
3IAM
-
NQO15_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
2
PsiBlast_PDB
96.80
45%
0
- C- -
3I9V
-
NQO15_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
1
PsiBlast_PDB
96.80
45%
0
- C- -
2FUG
-
NQO15_THET8 (first)
1:
[34-437]
-----------------------------
R
H
G
------
G
Y
E
T
A
-------------------------------
K
R
-
V
-
L
K
E
-
K
T
P
D
E
V
I
----
E
E
V
K
R
S
G
L
R
G
R
-----
G
G
A
G
F
P
T
G
L
K
W
S
F
M
P
K
D
D
------
G
K
Q
H
--
Y
L
I
C
N
A
D
E
S
E
P
G
--------
S
F
K
D
R
Y
------
I
L
E
D
V
P
H
L
L
I
E
G
M
-
I
L
A
G
Y
A
I
R
A
T
--
V
G
Y
I
Y
--
V
R
G
E
Y
R
-
R
A
A
D
R
L
E
Q
A
I
K
E
A
----
R
A
R
G
Y
L
G
-
K
N
L
F
G
T
D
F
S
F
D
L
H
----
V
H
R
G
A
G
A
Y
I
C
G
E
E
T
----
A
L
M
N
S
--
L
E
G
L
R
A
N
P
-
R
L
K
P
P
F
P
A
Q
S
G
L
W
G
K
P
T
T
I
N
N
V
E
T
L
A
S
V
V
P
I
M
E
R
G
A
D
W
F
A
Q
M
G
T
E
Q
S
K
G
M
K
L
Y
Q
I
-
S
G
P
V
K
R
P
G
V
Y
E
---------
L
P
M
-
G
T
T
F
R
E
L
I
Y
E
W
A
G
G
P
------------
L
-----
E
-
P
I
Q
A
I
I
P
G
G
S
S
T
P
P
L
P
FT
E
E
-
V
L
D
--
T
P
M
S
Y
E
H
L
Q
A
K
G
S
M
L
G
T
G
G
V
I
L
I
P
E
R
V
S
M
V
D
A
M
W
N
L
T
R
F
Y
--
A
H
E
S
C
G
K
C
T
P
C
R
E
G
V
A
G
-
F
M
V
----------
N
L
F
A
K
I
G
T
G
Q
G
E
E
K
D
V
E
N
L
E
A
L
L
P
L
------
I
E
G
R
S
F
-
C
P
L
A
D
A
A
V
W
P
V
K
G
S
L
R
--
H
F
K
D
QYLAL
A
R
E
K
R
P
V
P
R
P
S
L
W
---------------------------
54
Fugue
54.08
18%
-44
* C6 *
4ARZ
1
GTR2_YEAST
B:
[5-325]
---------------
A
T
D
S
K
A
M
V
L
L
M
G
V
R
R
C
G
------
K
S
S
I
C
-------------------------------
K
V
-
V
-
F
-
H
-
N
M
Q
P
L
D
T
----
L
Y
L
E
S
T
S
N
P
S
L
-----
E
H
F
S
T
L
I
D
L
A
V
M
E
L
P
G
Q
L
------
N
Y
F
E
P
S
-----------------------------------
Y
D
S
E
R
L
F
K
S
V
--------
G
A
L
--
V
Y
V
I
D
--
S
Q
D
E
Y
I
-
N
A
I
T
N
L
A
M
I
I
E
Y
A
----
Y
K
V
---------
N
P
S
I
N
I
E
V
L
----
I
H
K
V
D
G
----------------------------------------------
L
S
E
D
F
K
V
D
A
Q
R
D
I
M
Q
R
T
G
E
E
L
L
E
L
G
-
L
D
G
V
Q
V
S
F
Y
L
T
-
S
I
F
D
H
---
S
I
Y
---------
E
A
F
-
S
R
I
V
Q
K
L
I
P
E
L
S
--------------
F
L
-----
E
-
N
M
L
D
N
L
I
Q
H
S
K
----------
I
E
K
A
-
F
L
F
D
V
N
S
K
I
Y
V
S
T
D
S
N
P
V
D
I
Q
M
Y
E
V
C
S
E
F
I
D
V
T
I
D
L
F
D
L
Y
--
K
A
P
R
N
E
L
Q
N
V
S
Q
L
A
N
-
G
-
V
I
I
----------
Y
L
R
Q
-----------
M
I
R
G
L
A
L
V
A
I
------
I
R
P
N
G
T
---
D
M
E
S
C
L
T
V
A
D
Y
N
I
D
--
I
F
K
K
-----
G
L
E
D
I
W
----------------------------------
56
Fugue
50.59
15%
-42
- C6 -
1C3J
1
GSTB_BPT4
A:
[1-351]
-------------------
M
K
I
A
I
I
N
M
G
N
N
V
I
------
N
F
K
T
V
-------------------------------
P
S
-
S
-
E
-
T
-
I
Y
L
F
K
V
I
----
S
E
M
--------------------
G
L
N
V
D
I
I
S
L
K
N
------
G
V
Y
T
K
S
F
D
E
V
D
V
N
D
Y
--------------
D
R
L
------
I
V
V
N
S
N
L
A
I
L
S
A
Q
-
K
F
M
A
K
-
Y
K
S
K
--
I
Y
Y
L
F
TD
I
R
L
P
F
S
Q
S
A
Y
L
Y
T
E
E
E
L
L
I
K
----
S
P
I
K
V
I
S
-
Q
G
I
---
N
L
D
I
A
K
A
----
A
H
K
K
V
D
N
V
I
E
F
E
Y
F
----
P
I
E
Q
Y
--
K
I
H
M
N
D
F
Q
-
L
S
K
P
T
K
K
T
L
D
V
I
Y
G
--
G
S
F
R
S
G
Q
R
E
S
K
M
V
E
F
L
F
D
T
G
L
N
I
E
F
F
G
---
N
A
R
E
K
Q
F
K
N
-
P
K
Y
P
W
T
K
A
P
V
F
---------
T
G
--
K
I
P
M
N
M
V
S
E
K
N
S
---------------------
Q
-
A
I
A
A
L
I
I
G
D
K
N
Y
---------------
N
D
N
F
I
T
L
R
V
W
E
T
-
M
A
S
D
A
V
M
L
I
D
E
E
F
D
T
K
H
R
I
I
N
D
A
R
F
Y
--
V
N
N
-----------
R
-
A
-
E
L
I
----------
D
R
V
N
E
L
K
H
S
D
V
L
R
K
E
M
L
S
I
Q
H
D
I
L
N
------
K
T
R
A
------------
K
K
A
E
W
Q
D
--
A
F
K
K
-----
A
I
D
L
------------------------------------
60
Fugue
48.92
19%
-32
- C6 -
4Q05
2
?
A:
[34-360]
---EN
S
W
Q
I
G
P
R
T
L
P
A
P
S
G
A
S
D
V
L
Y
N
I
I
S
K
T
P
------
T
P
V
P
T
-------------------------------
I
N
-
L
N
L
-
V
-
P
R
T
E
S
E
W
----
R
A
A
I
T
Q
L
D
E
G
K
-----
V
D
M
A
R
E
I
S
K
Q
L
S
V
S
V
E
H
G
------
V
I
E
G
V
S
V
Y
Y
V
T
P
V
E
V
A
P
D
LED
K
L
F
V
H
T
H
G
G
A
F
------
V
L
N
G
G
E
A
G
T
I
E
A
I
-
V
I
A
T
L
A
-
K
V
R
--
V
L
S
I
D
--
Y
R
M
P
P
S
-
H
P
A
P
A
A
R
D
D
V
F
T
V
----
Y
Q
H
L
L
K
Q
-
G
S
A
Q
K
I
A
L
G
G
S
---------
S
G
G
A
N
L
T
M
G
L
V
----
Q
H
L
----
I
E
Q
E
V
D
L
P
---------
G
A
L
F
L
G
T
P
G
-----------
A
D
M
S
K
T
G
D
S
Y
Y
I
N
D
G
I
D
R
N
L
V
T
----------------------------
Y
-
D
G
F
L
E
A
A
V
R
L
Y
A
N
G
-
R
---------
D
L
K
-----
D
-
P
L
V
S
P
L
Y
G
------------------------------
D
L
H
G
F
P
P
T
F
L
I
T
G
T
R
D
L
L
L
S
A
T
V
R
T
H
I
K
--
L
R
Q
S
---------
G
V
-----------------
V
A
D
L
F
V
Y
E
G
I
A
H
G
--
D
Y
A
V
D
L
T
---------------
A
P
E
T
Q
H
A
F
A
E
L
N
A
F
L
L
--
Q
H
L
R
---------------------------------------------
61
Fugue
45.31
19%
6
- C2 -
5CD6
3
?
A:
[2-580]
QTTG
V
V
C
E
E
F
D
Q
I
Q
L
T
H
V
L
T
P
T
G
P
L
P
T
A
L
D
P
N
GVYP
Y
M
S
Y
S
E
T
SN
R
P
V
P
K
R
Y
R
M
I
S
L
E
N
EK
V
K
A
I
I
C
PDLCGKV
I
S
-
L
-
T
-
H
-
K
E
S
G
K
E
V
LYRP
D
V
I
K
Y
T
R
I
L
P
R
FY
F
V
A
G
G
I
E
V
S
F
P
I
S
H
S
P
T
Q
N
E
P
V
L
Y
Q
I
D
H
T
G
D
R
T
Y
V
T
C
G
E
R
E
S
H
Y
G
M
Q
W
S
V
E
Y
-
S
L
G
D
K
D
E
C
L
T
Q
R
V
V
Y
Y
N
P
G
K
Q
A
Y
P
W
M
S
W
S
N
A
A
L
P
C
A
PD
T
Q
Y
D
F
--
P
N
G
T
V
L
-
S
H
A
S
T
L
D
T
I
D
W
K
T
EGTH
H
E
R
D
I
K
E
M
T
G
Y
F
W
K
T
K
D
V
N
A
F
G
A
Y
T
P
S
L
G
S
G
L
Y
H
I
A
D
E
S
STP
G
I
K
L
W
S
YG
V
A
G
D
K
E
W
S
M
L
S
T
P
D
R
Q
P
Y
V
E
I
Q
G
G
P
I
S
-
D
Q
S
I
K
L
E
L
R
P
G
E
K
K
N
H
V
E
Y
W
I
P
T
D
H
P
L
D
----
I
Y
S
L
-
K
V
P
A
L
R
L
R
P
I
D
R
I
P
L
F
D
WAR
K
N
E
-
S
S
I
W
I
A
L
A
D
A
Y
K
N
K
S
T
LPAAPYPED
G
Q
W
APSGM
E
-
D
L
D
D
A
F
R
W
A
I
Q
I
S
--
P
--
R
P
-
E
R
D
Y
-
W
Q
F
H
Y
G
T
W
L
A
G
R
E
R
V
E
E
A
I
E
Q
L
S
I
P
D
I
D
L
A
K
A
L
L
A
R
L
Y
V
R
R
Q
A
W
E
K
A
R
D
T
Y
A
A
I
P
E
T
-
S
-
W
L
N
LH
P
Q
L
V
I
E
R
D
K
V
L
K
K
F
--
G
T
E
A
L
P
E
R
E
K
W
L
D
K
I
N
A
SSD
E
W
V
V
E
R
K
V
Q
-
L
L
I
D
K
K
Q
Y
Q
E
A
K
D
L
L
L
S
T
H
F
Q
K
-----
V
H
Q
T
Y
T
R
T
G
L
W
E
Q
I
N
E
G
L
GLSPQPVPEQLGEDRLARFEYE
29
HHSearch
40.57
19%
-79
- C5 -
3CF4
6
?
A:
[412-478]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
--
M
V
A
K
C
A
D
C
G
A
C
L
L
A
C
-
P
-
E
E
I
----------
D
I
P
E
A
M
G
--
F
A
K
K
G
D
F
S
Y
F
E
E
I
H
D
T
------
C
I
G
C
R
R
-
C
E
Q
V
C
K
K
E
I
P
I
L
N
V
I
E
--
K
I
A
Q
-----
K
Q
I
A
E
E
K
G
L
M
R
A
G
---------------------------
9
PsiBlast_PDB
40.15
34%
-63
- C5 -
4COG
5
KYNB_BURCJ
A:
[83-156]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
C
I
G
A
A
P
V
V
R
P
A
D
V
E
---------
A
A
L
D
G
V
P
P
R
V
L
L
R
T
Y
A
R
A
A
V
---------
E
Q
W
-----
D
S
N
F
C
A
V
A
P
--
D
T
V
D
L
L
A
--
A
H
-
G
V
K
L
-
I
G
I
D
T
P
S
L
D
P
Q
E
S
K
T
M
D
A
H
R
R
V
R
A
H
R
M
A
I
L
E
G
I
V
L
D
D
V
P
P
--
G
D
Y
E
L
I
A
L
P
L
K
F
A
T
L
-
D
-
A
S
P
----------
V
R
A
V
L
R
A
L
P
------------------------------------------------------------------------------------------------
58
Fugue
39.60
13%
24
- C4 -
1BGX
-
DPO1_THEAQ
T:
[1-285]
------------------------
M
R
G
M
L
P
L
F
------
E
P
K
G
R
-------------------------------
V
L
-
L
-
V
-
D
-
G
H
H
L
A
Y
R
----
T
F
H
A
L
K
G
L
T
T
S
-----
R
G
E
P
V
Q
A
V
Y
G
F
A
K
S
L
L
K
A
------
L
K
E
D
G
D
A
V
I
V
V
F
D
A
K
A
P
-----------------------------------------------------------------
S
F
R
H
E
A
Y
G
G
----
Y
K
A
G
-----------------------
R
A
P
T
P
E
D
F
P
R
Q
L
----
A
L
I
K
E
--
L
V
D
L
L
G
L
A
-
R
L
E
V
P
---
G
Y
E
A
D
D
V
L
A
S
L
A
K
K
A
E
K
E
G
Y
E
V
R
I
L
T
A
D
K
D
L
Y
Q
L
L
S
D
R
I
H
V
L
H
P
--
E
-
G
-
Y
L
I
T
P
A
W
L
W
---------
E
K
Y
-
G
L
-
R
P
D
Q
W
A
D
Y
R
A
L
T
G
---------
D
E
S
-----
D
-
N
L
P
G
V
K
G
I
G
E
K
T
---
A
--
R
K
-
L
L
E
E
-
W
G
-
S
L
E
A
L
L
---
K
N
L
D
-
R
L
------------------------------------------
K
P
----------
A
I
R
E
K
I
L
A
H
M
D
D
L
K
L
S
W
D
L
A
K
V
R
T
---------
D
L
P
L
E
V
D
F
A
K
R
R
E
P
D
R
E
R
L
R
A
--
F
L
E
R
-----
L
-
E
F
G
S
L
L
H
E
F
G
L
---------------------------