@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 : Rv0851c: (2016-04-26 )
MDGFPGRGAVITGGASGIGLATGTEFARRGARVVLGDVDKPGLRQAVNHLRAEGFDVHSVMCDVRHREEVTHLADEAFRLLGHVDVVFSNAGIVVGGPIVEMTHDDWRWVIDVDLWGSIHTVEAFLPRLLEQGTGGHVVFTASFAGLVPNAGLGAYGVAKYGVVGLAETLAREVTADGIGVSVLCPMVVETNLVANSERIRGAACAQSSTTGSPGPLPLQDDNLGVDDIAQLTADAILANRLYVLPHAASRASIRRRFERIDRTFDEQAAEGWRH
Atome Classification :
(30 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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDGFPGR
G
A
V
I
TGGASGIGLAT
G
T
E
F
A
RRG
A
-
R
V
V
L-GDVDK
P
-------------
G
L
R
Q
A
V
N
H
L
--
R
AE-GF--
D
V
H
S
V
M
C
D
V
R
H
R
E
E
V
T
H
L
A
D
E
A
F
R
L
L
G
H
V
D
V
V
FSN-A
G
I
V
VG-G
P
I
V
E-MTHDD
W
R
W
V
I
D
V
DLWGS
I
H
T
V
E
A
F
L
P
R
L
L
E-----QGTG
G
H
V
V
F
TA
S
F
AGLVPN--AGLGA-
Y
G
V
A
K
Y
G
V
V
G
L
A
E
T
L
A
R
E
V
TADGI
G
V
S
V
L
C
P
M
V
V
E
TNLVAN----SERI
R
G
A
ACAQSSTTGSPGP--LPLQDDNL----------
G
V
D
--
D
I
A
Q
L
T
A
D
A
I
L
A
N
R
L
Y
VLPHAA
S
R
A
S
I
R
R
R
F
E
R
I
D
R
T
F
D
E
Q
A
A
EGWRH
1
PsiBlast_PDB
99.26
78%
-121
- C1 -
3TJR
1
?
A:
[26-301]
L
S
G
F
D
G
R
A
A
V
V
T
G
G
A
S
G
I
G
L
A
T
A
T
E
F
A
R
R
G
A
-
R
L
V
L
-
S
D
V
D
Q
P
-------------
A
L
E
Q
A
V
N
G
L
--
R
G
Q
-
G
F
--
D
A
H
G
V
V
C
D
V
R
H
L
D
E
M
V
R
L
A
D
E
A
F
R
L
L
G
G
V
D
V
V
F
S
N
-
A
G
I
V
V
A
-
G
P
L
A
Q
-
M
N
H
D
D
W
R
W
V
I
D
I
D
L
W
G
S
I
H
A
V
E
A
F
L
P
R
L
L
E
-----
Q
G
T
G
G
H
I
A
F
T
A
S
F
A
G
L
V
P
N
--
A
G
L
G
T
-
Y
G
V
A
K
Y
G
V
V
G
L
A
E
T
L
A
R
E
V
K
P
N
G
I
G
V
S
V
L
C
P
M
V
V
E
T
K
L
V
S
N
----
S
E
R
I
R
-----------------------
S
V
----------
S
A
D
--
D
V
A
R
L
T
A
D
A
I
L
A
N
R
L
Y
I
L
P
H
A
A
A
R
E
S
I
R
R
R
F
E
R
I
D
R
T
F
D
E
Q
A
A
E
G
W
T
H
7
PsiBlast_PDB
66.05
31%
-117
- C1 -
4Y9D
1
?
A:
[3-265]
--
D
F
Q
D
Q
V
A
F
I
T
G
G
A
S
G
A
G
F
G
Q
A
K
V
F
G
Q
A
G
A
-
K
I
V
V
-
A
D
V
R
A
E
-------------
A
V
E
K
A
V
A
E
L
--
E
G
L
-
G
I
--
T
A
H
G
I
V
L
D
I
M
D
R
E
A
Y
A
R
A
A
D
E
V
E
A
V
F
G
Q
A
P
T
L
L
S
N
T
A
G
V
N
S
F
-
G
P
I
E
K
-
T
T
Y
D
D
F
D
W
I
I
G
V
N
L
N
G
V
I
N
G
M
V
T
F
V
P
R
M
I
A
-----
S
G
R
P
G
H
I
V
T
V
S
S
L
G
G
F
M
G
S
--
A
L
A
G
P
-
Y
S
A
A
K
A
A
S
I
N
L
M
E
G
Y
R
Q
G
L
E
K
Y
G
I
G
V
S
V
C
T
P
A
N
I
--------------------------------------
H
G
L
----------
E
P
E
--
K
L
A
E
A
I
K
K
G
V
E
D
N
A
L
Y
I
I
P
Y
P
E
V
R
E
G
L
E
K
H
F
Q
A
I
--------------
9
PsiBlast_PDB
65.53
33%
-116
- C1 -
4YAC
1
?
A:
[1-252]
M
Q
D
L
E
G
K
V
A
F
V
T
G
G
G
S
G
V
A
L
G
Q
A
K
V
L
A
E
E
A
Q
M
K
V
V
I
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
M
G
Y
F
--
S
Q
K
-
N
V
--
A
V
H
P
V
R
L
D
L
T
D
R
A
A
Y
A
A
A
V
D
E
A
E
Q
V
F
G
P
V
D
L
L
C
N
T
-
A
G
V
S
Q
F
-
G
P
I
E
K
-
A
T
F
D
D
W
D
W
Q
M
D
V
N
V
N
G
V
I
N
G
V
M
T
V
M
P
R
M
I
E
-----
R
G
Q
G
G
H
I
L
I
T
A
S
M
S
A
F
V
A
L
--
P
T
T
G
I
-
Y
C
T
T
K
Y
A
V
R
G
L
A
E
S
L
R
V
E
M
P
K
Y
N
I
G
V
S
L
L
C
P
G
G
---------------------------------------
E
A
V
F
A
G
L
K
R
V
I
E
H
G
F
D
P
V
D
L
G
R
V
V
L
D
A
V
R
N
D
R
F
W
V
L
P
Y
----------------------------
6
PsiBlast_PDB
65.39
31%
-115
- C1 -
4Y98
-
?
A:
[3-265]
--
D
F
Q
D
Q
V
A
F
I
T
G
G
A
S
G
A
G
F
G
Q
A
K
V
F
G
Q
A
G
A
-
K
I
V
V
-
A
D
V
R
A
E
-------------
A
V
E
K
A
V
A
E
L
--
E
G
L
-
G
I
--
T
A
H
G
I
V
L
D
I
M
D
R
E
A
Y
A
R
A
A
D
E
V
E
A
V
F
G
Q
A
P
T
L
L
S
N
T
A
G
V
N
S
F
-
G
P
I
E
K
-
T
T
Y
D
D
F
D
W
I
I
G
V
N
L
N
G
V
I
N
G
M
V
T
F
V
P
R
M
I
A
-----
S
G
R
P
G
H
I
V
T
V
S
S
L
G
G
F
M
G
S
--
A
L
A
G
P
-
Y
S
A
A
K
A
A
S
I
N
L
M
E
G
Y
R
Q
G
L
E
K
Y
G
I
G
V
S
V
C
T
P
A
N
I
--------------------------------------
H
G
L
----------
E
P
E
--
K
L
A
E
A
I
K
K
G
V
E
D
N
A
L
Y
I
I
P
Y
P
E
V
R
E
G
L
E
K
H
F
Q
A
I
--------------
8
PsiBlast_PDB
65.03
33%
-119
- C1 -
4YA6
-
?
A:
[1-252]
M
Q
D
L
E
G
K
V
A
F
V
T
G
G
G
S
G
V
A
L
G
Q
A
K
V
L
A
E
E
A
Q
M
K
V
V
I
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
M
G
Y
F
--
S
Q
K
-
N
V
--
A
V
H
P
V
R
L
D
L
T
D
R
A
A
Y
A
A
A
V
D
E
A
E
Q
V
F
G
P
V
D
L
L
C
N
T
-
A
G
V
S
Q
F
-
G
P
I
E
K
-
A
T
F
D
D
W
D
W
Q
M
D
V
N
V
N
G
V
I
N
G
V
M
T
V
M
P
R
M
I
E
-----
R
G
Q
G
G
H
I
L
I
T
A
S
M
S
A
F
V
A
L
--
P
T
T
G
I
-
Y
C
T
T
K
Y
A
V
R
G
L
A
E
S
L
R
V
E
M
P
K
Y
N
I
G
V
S
L
L
C
P
G
G
---------------------------------------
E
A
V
F
A
G
L
K
R
V
I
E
H
G
F
D
P
V
D
L
G
R
V
V
L
D
A
V
R
N
D
R
F
W
V
L
P
Y
----------------------------
5
PsiBlast_PDB
64.70
33%
-112
- C1 -
3IOY
-
?
A:
[1-271]
L
K
D
F
A
G
R
T
A
F
V
T
G
G
A
N
G
V
G
I
G
L
V
R
Q
L
L
N
Q
G
C
-
K
V
A
I
-
A
D
I
R
Q
D
-------------
S
I
D
K
A
L
A
T
L
--
E
A
E
-
G
S
GP
E
V
M
G
V
Q
L
D
V
A
S
R
E
G
F
K
M
A
A
D
E
V
E
A
R
F
G
P
V
S
I
L
C
N
N
-
A
G
V
N
L
F
-
Q
P
I
E
E
-
S
S
Y
D
D
W
D
W
L
L
G
V
N
L
H
G
V
V
N
G
V
T
T
F
V
P
R
M
V
E
R
V
K
A
G
E
Q
K
G
G
H
V
V
N
T
A
S
M
A
A
F
L
A
A
--
G
S
P
G
I
-
Y
N
T
T
K
F
A
V
R
G
L
S
E
S
L
H
Y
S
L
L
K
Y
E
I
G
V
S
V
L
C
P
G
L
V
K
--------------------------------
A
G
V
H
E
F
G
M
----------
E
P
D
--
V
I
G
A
R
V
I
E
A
M
K
A
N
R
L
H
I
F
S
H
P
D
H
K
E
E
L
R
E
V
F
D
E
I
--------------
22
PsiBlast_CBE
62.69
34%
-97
- C1 -
4YAG
1
?
B:
[5-264]
-----
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
R
Q
F
F
EE
R
Q
Q
-
G
R
--
N
V
H
T
I
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
-
A
G
I
D
P
S
-
G
P
F
K
D
-
A
T
Y
Q
D
W
D
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
-----
R
G
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
--
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
GQNR
P
E
R
F
R
-
A
G
S
G
L
A
E
T
E
Q
Q
L
A
K
--
R
V
V
A
D
N
W
M
----------
E
P
T
--
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
S
T
H
G
N
W
R
E
T
C
E
A
R
F
Q
----------------
2
PsiBlast_PDB
62.13
34%
-111
- C1 -
4YAE
-
?
A:
[5-264]
-----
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
R
Q
F
F
E
E
R
Q
Q
-
G
R
--
N
V
H
T
I
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
-
A
G
I
D
P
S
-
G
P
F
K
D
-
A
T
Y
Q
D
W
D
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
-----
R
G
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
--
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
I
G
V
T
V
L
M
P
G
P
I
----------------------------------------
M
----------
E
P
T
--
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
S
T
H
G
N
W
R
E
T
C
E
A
R
F
Q
----------------
21
PsiBlast_CBE
61.46
34%
-97
- C1 -
4YAI
2
?
B:
[5-264]
-----
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
R
Q
F
F
EE
R
Q
Q
-
G
R
--
N
V
H
T
I
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
-
A
G
I
D
P
S
-
G
P
F
K
D
-
A
T
Y
Q
D
W
D
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
-----
R
G
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
--
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
GQNR
P
E
R
F
R
-
A
G
S
G
L
A
E
T
E
Q
Q
L
A
K
--
R
V
V
A
D
N
W
M
----------
E
P
T
--
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
S
T
H
G
N
W
R
E
T
C
E
A
R
F
Q
----------------
4
PsiBlast_PDB
61.03
34%
-96
- C1 -
4YAI
2
?
A:
[5-264]
-----
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
R
Q
F
F
E
E
R
Q
Q
-
G
R
--
N
V
H
T
I
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
-
A
G
I
D
P
S
-
G
P
F
K
D
-
A
T
Y
Q
D
W
D
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
-----
R
G
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
--
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
GQNR
P
E
R
F
R
-
A
G
S
G
L
A
E
T
E
Q
Q
L
A
K
--
R
V
V
A
D
N
W
M
----------
E
P
T
--
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
S
T
H
G
N
W
R
E
T
C
E
A
R
F
Q
----------------
3
PsiBlast_PDB
61.02
34%
-95
- C1 -
4YAG
1
?
A:
[5-264]
-----
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
-
A
D
I
R
Q
D
-------------
H
L
D
E
A
R
Q
F
F
E
E
R
Q
Q
-
G
R
--
N
V
H
T
I
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
-
A
G
I
D
P
S
-
G
P
F
K
D
-
A
T
Y
Q
D
W
D
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
-----
R
G
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
--
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
GQNR
P
E
R
F
R
-
A
G
S
G
L
A
E
T
E
Q
Q
L
A
K
--
R
V
V
A
D
N
W
M
----------
E
P
T
--
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
S
T
H
G
N
W
R
E
T
C
E
A
R
F
Q
----------------
122
HHSearch
56.83
26%
-100
- C1 -
3TSC
1
?
A:
[7-265]
-
G
K
L
E
G
R
V
A
F
I
T
G
A
A
R
G
Q
G
R
A
H
A
V
R
M
A
A
E
G
A
-
D
I
I
A
-
V
D
I
A
G
K
LPSCVP
Y
D
P
A
S
P
D
D
L
S
E
T
V
R
L
V
--
E
A
A
-
N
R
--
R
I
V
A
A
V
V
D
T
R
D
F
D
R
L
R
K
V
V
D
D
G
V
A
A
L
G
R
L
D
I
I
V
A
N
-
A
G
V
A
A
P
-
Q
A
W
D
D
-
I
T
P
E
D
F
R
D
V
M
D
I
N
V
T
G
T
W
N
T
V
M
A
G
A
P
R
I
I
E
-----
G
G
R
G
G
S
I
I
L
I
S
S
A
A
G
M
K
M
Q
--
P
F
M
I
H
-
Y
T
A
S
K
H
A
V
T
G
L
A
R
A
F
A
A
E
L
G
K
H
S
I
R
V
N
S
V
H
P
G
P
V
N
T
P
M
G
S
G
----
D
M
V
T
A
V
G
Q
A
M
E
-
T
N
P
Q
L
S
H
V
LT
P
F
L
P
D
W
V
A
----------
E
P
E
--
D
I
A
D
T
V
C
W
L
A
S
D
E
S
R
K
V
T
A
-----------------------------
50
PsiBlast_CBE
53.39
35%
-119
- C1 -
3AWD
1
?
C:
[11-202]
---
L
D
N
R
V
A
I
V
T
G
G
A
Q
N
I
G
L
A
C
V
T
A
L
A
E
A
G
A
-
R
V
I
I
-
A
D
L
D
E
A
-------------
M
A
T
K
A
V
E
D
L
--
R
M
E
-
G
H
--
D
V
S
S
V
V
M
D
V
T
N
T
E
S
V
Q
N
A
V
R
S
V
H
E
Q
E
G
R
V
D
I
L
V
A
C
-
A
G
I
C
I
S
-
E
V
K
A
E
D
M
T
D
G
Q
W
L
K
Q
V
D
I
N
L
N
G
M
F
R
S
C
Q
A
V
G
R
I
M
L
E
-----
Q
K
Q
-
G
V
I
V
A
I
G
S
M
S
G
L
I
V
N
RP
Q
Q
Q
A
A
-
Y
N
A
S
K
A
G
V
H
Q
Y
I
R
S
L
A
A
E
W
A
P
H
G
I
R
A
N
A
V
A
P
T
Y
I
E
T
T
L
----------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
52.88
35%
-119
- C1 -
2ZTL
2
?
A:
[2-193]
---
L
K
G
K
V
A
V
V
T
G
S
T
S
G
I
G
L
G
I
A
T
A
L
A
A
Q
G
A
-
D
I
V
L
N
G
F
G
D
A
A
-------------
E
I
E
K
V
R
A
G
L
--
A
A
Q
H
G
V
--
K
V
L
Y
D
G
A
D
L
S
K
G
E
A
V
R
G
L
V
D
N
A
V
R
Q
M
G
R
I
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
L
I
E
D
-
F
P
T
E
K
W
D
A
I
L
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
H
M
K
K
-----
Q
G
F
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
A
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
F
T
K
V
T
A
L
E
T
A
G
Q
G
I
T
A
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
128
HHSearch
52.72
28%
-96
- C1 -
4FN4
3
?
A:
[3-242]
-
Q
S
L
K
N
K
V
V
I
V
T
G
A
G
S
G
I
G
R
A
I
A
K
K
F
A
L
N
D
S
-
I
V
V
A
-
V
E
L
L
E
D
-------------
R
L
N
Q
I
V
Q
E
L
--
R
G
M
-
G
K
--
E
V
L
G
V
K
A
D
V
S
K
K
K
D
V
E
E
F
V
R
R
T
F
E
T
Y
S
R
I
D
V
L
C
N
N
-
A
G
I
M
D
G
V
T
P
V
A
E
-
V
S
D
E
L
W
E
R
V
L
A
V
N
L
Y
S
A
F
Y
S
S
R
A
V
I
P
I
M
L
K
-----
Q
-
G
K
G
V
I
V
N
T
A
S
I
A
G
I
R
G
G
--
F
A
G
A
P
-
Y
T
V
A
K
H
G
L
I
G
L
T
R
S
I
A
A
H
Y
G
D
Q
G
I
R
A
V
A
V
L
P
G
T
V
K
T
N
I
G
L
G
----
S
S
K
P
S
E
L
G
M
R
T
-----
L
T
K
L
--
M
S
L
S
S
R
L
A
----------
E
P
E
--
D
I
A
N
V
I
V
F
L
A
S
D
E
A
S
F
V
N
G
-----------------------------
17
PsiBlast_PDB
51.97
35%
-120
- C1 -
3W8D
6
?
A:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E
------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
51.75
35%
-115
- C1 -
3AWD
1
?
B:
[11-202]
---
L
D
N
R
V
A
I
V
T
G
G
A
Q
N
I
G
L
A
C
V
T
A
L
A
E
A
G
A
-
R
V
I
I
-
A
D
L
D
E
A
-------------
M
A
T
K
A
V
E
D
L
--
R
M
E
-
G
H
--
D
V
S
S
V
V
M
D
V
T
N
T
E
S
V
Q
N
A
V
R
S
V
H
E
Q
E
G
R
V
D
I
L
V
A
C
-
A
G
I
C
I
S
-
E
V
K
A
E
D
M
T
D
G
Q
W
L
K
Q
V
D
I
N
L
N
G
M
F
R
S
C
Q
A
V
G
R
I
M
L
E
-----
Q
K
Q
-
G
V
I
V
A
I
G
S
M
S
G
L
I
V
N
RP
Q
Q
Q
A
A
-
Y
N
A
S
K
A
G
V
H
Q
Y
I
R
S
L
A
A
E
W
A
P
H
G
I
R
A
N
A
V
A
P
T
Y
I
E
T
T
L
----------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
51.72
35%
-114
- C1 -
3VDQ
4
?
D:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
51.69
35%
-119
- C1 -
2YZ7
2
?
B:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
51.67
35%
-119
- C1 -
3W8E
3
?
A:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E
------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
51.57
35%
-119
- C1 -
3VDR
4
?
D:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
50.97
35%
-118
- C1 -
3VDR
3
?
C:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
50.36
35%
-120
- C1 -
2ZTL
2
?
B:
[2-193]
---
L
K
G
K
V
A
V
V
T
G
S
T
S
G
I
G
L
G
I
A
T
A
L
A
A
Q
G
A
-
D
I
V
L
N
G
F
G
D
A
A
-------------
E
I
E
K
V
R
A
G
L
--
A
A
Q
H
G
V
--
K
V
L
Y
D
G
A
D
L
S
K
G
E
A
V
R
G
L
V
D
N
A
V
R
Q
M
G
R
I
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
L
I
E
D
-
F
P
T
E
K
W
D
A
I
L
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
H
M
K
K
-----
Q
G
F
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
A
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
F
T
K
V
T
A
L
E
T
A
G
Q
G
I
T
A
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
49.91
35%
-119
- C1 -
2ZTL
3
?
D:
[2-193]
---
L
K
G
K
V
A
V
V
T
G
S
T
S
G
I
G
L
G
I
A
T
A
L
A
A
Q
G
A
-
D
I
V
L
N
G
F
G
D
A
A
-------------
E
I
E
K
V
R
A
G
L
--
A
A
Q
H
G
V
--
K
V
L
Y
D
G
A
D
L
S
K
G
E
A
V
R
G
L
V
D
N
A
V
R
Q
M
G
R
I
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
L
I
E
D
-
F
P
T
E
K
W
D
A
I
L
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
H
M
K
K
-----
Q
G
F
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
A
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
F
T
K
V
T
A
L
E
T
A
G
Q
G
I
T
A
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
49.75
35%
-118
- C1 -
3VDR
4
?
B:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
49.37
35%
-118
- C1 -
3W8F
3
?
A:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E
------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
49.20
35%
-119
- C1 -
2ZTL
2
?
C:
[2-193]
---
L
K
G
K
V
A
V
V
T
G
S
T
S
G
I
G
L
G
I
A
T
A
L
A
A
Q
G
A
-
D
I
V
L
N
G
F
G
D
A
A
-------------
E
I
E
K
V
R
A
G
L
--
A
A
Q
H
G
V
--
K
V
L
Y
D
G
A
D
L
S
K
G
E
A
V
R
G
L
V
D
N
A
V
R
Q
M
G
R
I
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
L
I
E
D
-
F
P
T
E
K
W
D
A
I
L
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
H
M
K
K
-----
Q
G
F
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
A
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
F
T
K
V
T
A
L
E
T
A
G
Q
G
I
T
A
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
49.00
35%
-114
- C1 -
3VDR
4
?
A:
[2-193]
---
L
K
G
K
K
A
V
V
T
G
S
T
S
G
I
G
L
A
M
A
T
E
L
A
K
A
G
A
-
D
V
V
I
-
N
G
F
G
Q
P
E
------------
D
I
E
R
E
R
S
T
L
--
E
S
K
F
G
V
--
K
A
Y
Y
L
N
A
D
L
S
D
A
Q
A
T
R
D
F
I
A
K
A
A
E
A
L
G
G
L
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
P
I
E
E
-
F
P
V
D
K
W
N
A
I
I
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
I
M
Q
K
-----
Q
G
W
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
V
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
L
T
K
V
T
A
L
E
N
A
G
K
G
I
T
C
N
A
I
C
P
G
W
V
R
T
P
L
V
---------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
48.75
35%
-120
- C1 -
2ZTM
2
?
A:
[6-193]
-------
V
A
V
V
T
G
S
T
S
G
I
G
L
G
I
A
T
A
L
A
A
Q
G
A
-
D
I
V
L
N
G
F
G
D
A
A
-------------
E
I
E
K
V
R
A
G
L
--
A
A
Q
H
G
V
--
K
V
L
Y
D
G
A
D
L
S
K
G
E
A
V
R
G
L
V
D
N
A
V
R
Q
M
G
R
I
D
I
L
V
N
N
-
A
G
I
Q
H
T
-
A
L
I
E
D
-
F
P
T
E
K
W
D
A
I
L
A
L
N
L
S
A
V
F
H
G
T
A
A
A
L
P
H
M
K
K
-----
Q
G
F
G
-
R
I
I
N
I
A
S
A
H
G
L
V
A
S
--
A
N
K
S
A
-
Y
V
A
A
K
H
G
V
V
G
F
T
K
V
T
A
L
E
T
A
G
Q
G
I
T
A
N
A
I
C
P
G
W
V
R
S
P
L
V
---------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
47.29
33%
-115
- C1 -
4FN4
3
?
D:
[11-194]
---------
I
V
T
G
A
G
S
G
I
G
R
A
I
A
K
K
F
A
L
N
D
S
-
I
V
V
A
-
V
E
L
L
E
D
-------------
R
L
N
Q
I
V
Q
E
L
--
R
G
M
-
G
K
--
E
V
L
G
V
K
A
D
V
S
K
K
K
D
V
E
E
F
V
R
R
T
F
E
T
Y
S
R
I
D
V
L
C
N
N
-
A
G
I
M
D
G
V
T
P
V
A
E
-
V
S
D
E
L
W
E
R
V
L
A
V
N
L
Y
S
A
F
Y
S
S
R
A
V
I
P
I
M
L
K
-----
Q
G
K
-
G
V
I
V
N
T
A
S
I
A
G
I
R
G
G
--
F
A
G
A
P
-
Y
T
V
A
K
H
G
L
I
G
L
T
R
S
I
A
A
H
Y
G
D
Q
G
I
R
A
V
A
V
L
P
G
T
V
K
T
N
I
----------------------------------------------------------------------------------------------------