@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 : Rv2391: (2016-05-10 )
MSAKENPQMTTARPAKARNEGQWALGHREPLNANEELKKAGNPLDVRERIENIYAKQGFDSIDKTDLRGRFRWWGLYTQREQGYDGTWTGDDNIDKLEAKYFMMRVRCDGGALSAAALRTLGQISTEFARDTADISDRQNVQYHWIEVENVPEIWRRLDDVGLQTTEACGDCPRVVLGSPLAGESLDEVLDPTWAIEEIVRRYIGKPDFADLPRKYKTAISGLQDVAHEINDVAFIGVNHPEHGPGLDLWVGGGLSTNPMLAQRVGAWVPLGEVPEVWAAVTSVFRDYGYRRLRAKARLKFLIKDWGIAKFREVLETEYLKRPLIDGPAPEPVKHPIDHVGVQRLKNGLNAVGVAPIAGRVSGTILTAVADLMARAGSDRIRFTPYQKLVILDIPDALLDDLIAGLDALGLQSRPSHWRRNLMACSGIEFCKLSFAETRVRAQHLVPELERRLEDINSQLDVPITVNINGCPNSCARIQIADIGFKGQMIDDGHGGSVEGFQVHLGGHLGLDAGFGRKLRQHKVTSDELGDYIDRVVRNFVKHRSEGERFAQWVIRAEEDDLR
Atome Classification :
(23 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.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530....-..-.540.......550.......560.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSAKENPQMTTAR--PAKARNEG
Q
W
ALG--H--REPLNA
N
E
E
L
K
KAGN
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
KQGFDSI-----D-----KTDLR
G
R
F
R
W
W
G
L
Y
T
Q
REQGYDGTWTGDD
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
CDGG
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A-R-D-TADISDRQN
V
Q
Y
H
W
I
E
VE
N
V
P
E
I
W
R
R
L
D
D
VGLQ
T
T
E
A
CGDCP
R
V
VLGSPLAG
E
S
L
D
E
VLD
P
T
W
A
I
E
E
I
V
R
R
YI-----G----KP
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E--IN
D
V
A
F
I
GVNHPEHGPGL
D
L
W
VGGGLST-
N
P
M
-
L
A
Q
R
VGAWVPLGE
V
P
E
V
W
A
A
V
T
S
V
F
R
D
YG
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
DW
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
KRP-LIDG-PA--P--EPVKH
P
I
----
D
H
V
G
V
Q
R
L
-
K
N-
G
L
NAVGVAPIAGRV
S
G
T
I
L
T
A
V
A
D
L
M
A
RAGSD
R
I
R
FTPY
Q
K
L
V
I
L
DI
P
D
A
L
L
D
D
L
I
A
G
L
D
A-LGLQSR
P
S
H
W
R
R
N
L
M
ACSG
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
NSQLD
V
P
I
T
V
NINGCPNS
C
A
R
I
Q
I
A
D
IGFKGQMIDDGHGGS
V
E
G
F
Q
V
H
LGGHLGLDA
G
F
G
R
K
L
R
QHKV
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
SE
G
E
R
F
A
Q
W
V
I
RAEEDDLR
43
Fugue
95.76
100%
-91
- C2 -
1ZJ8
3
SIR_MYCTU
A:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
22
PsiBlast_CBE
95.67
99%
-91
- C2 -
1ZJ8
3
SIR_MYCTU
B:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
23
HHSearch
95.55
99%
-91
- C2 -
1ZJ8
3
SIR_MYCTU
A:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
1
PsiBlast_PDB
95.55
99%
-91
- C2 -
1ZJ8
3
SIR_MYCTU
A:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
21
PsiBlast_CBE
95.08
99%
-91
- C2 -
1ZJ9
3
SIR_MYCTU
B:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
2
PsiBlast_PDB
94.99
99%
-91
- C2 -
1ZJ9
3
SIR_MYCTU
A:
[21-566]
-------------------
R
N
E
G
Q
W
A
L
G
--
H
--
R
E
P
L
N
A
N
E
E
L
K
K
A
G
N
P
L
D
V
--
R
-
E
R
I
E
N
I
Y
A
K
Q
G
F
D
S
I
-----
D
-----
K
T
D
L
R
G
R
F
R
W
W
G
L
Y
T
Q
R
E
Q
G
Y
D
G
T
W
T
G
D
D
N
I
D
K
L
E
A
K
Y
F
M
M
R
V
R
C
D
G
G
A
L
S
A
A
A
L
R
T
L
G
Q
I
S
T
E
F
A
-
R
-
D
-
T
A
D
I
S
D
R
Q
N
V
Q
Y
H
W
I
E
V
E
N
V
P
E
I
W
R
R
L
D
D
V
G
L
Q
T
T
E
A
C
G
D
C
P
R
V
V
L
G
S
P
L
A
G
E
S
L
D
E
V
L
D
P
T
W
A
I
E
E
I
V
R
R
Y
I
-----
G
----
K
P
D
F
A
D
L
P
R
K
Y
K
T
A
I
S
G
L
-
Q
-
D
V
A
H
E
--
I
N
D
V
A
F
I
G
V
N
H
P
E
H
G
P
G
L
D
L
W
V
G
G
G
L
S
T
-
N
P
M
-
L
A
Q
R
V
G
A
W
V
P
L
G
E
V
P
E
V
W
A
A
V
T
S
V
F
R
D
Y
G
Y
R
R
L
R
A
K
A
R
L
K
F
L
I
K
D
W
G
I
A
K
F
R
E
V
L
E
T
E
Y
L
K
R
P
-
L
I
D
G
-
P
A
--
P
--
E
P
V
K
H
P
I
----
D
H
V
G
V
Q
R
L
-
K
N
-
G
L
N
A
V
G
V
A
P
I
A
G
R
V
S
G
T
I
L
T
A
V
A
D
L
M
A
R
A
G
S
D
R
I
R
F
T
P
Y
Q
K
L
V
I
L
D
I
P
D
A
L
L
D
D
L
I
A
G
L
D
A
-
L
G
L
Q
S
R
P
S
H
W
R
R
N
L
M
A
C
S
G
I
E
F
C
K
L
S
F
A
E
T
R
V
R
A
Q
H
L
V
P
E
L
E
R
R
L
E
D
I
N
S
Q
L
D
V
P
I
T
V
N
I
N
G
C
P
N
S
C
A
R
I
Q
I
A
D
I
G
F
K
G
Q
M
I
D
D
G
H
G
G
S
V
E
G
F
Q
V
H
L
G
G
H
L
G
L
D
A
G
F
G
R
K
L
R
Q
H
K
V
T
S
D
E
L
G
D
Y
I
D
R
V
-
V
R
-
N
F
V
K
H
R
S
E
G
E
R
F
A
Q
W
V
I
R
A
E
E
D
D
L
R
25
HHSearch
63.37
31%
-69
- C2 -
3B0G
5
?
A:
[54-584]
---------------
P
R
V
E
E
K
D
G
Y
W
I
L
K
EQ
F
--
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
--
F
M
E
N
G
I
E
E
L
A
K
I
P
I
E
E
I
D
Q
S
K
L
T
-----
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
---------------
Q
Y
G
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
E
G
-
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR-
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
H
D
L
Y
E
H
P
H
--
I
N
D
L
A
Y
M
P
A
T
K
D
-
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
K
R
C
D
-
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
-
R
M
P
Q
Q
Q
L
E
R
A
S
P
E
--
D
LV
Q
K
Q
W
E
R
R
----
D
Y
L
G
V
H
P
Q
K
Q
E
-
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
E
V
Y
K
-
K
A
V
P
C
D
D
L
V
P
L
V
V
D
L
-
L
V
N
N
F
G
A
V
P
R
------------------
7
PsiBlast_PDB
63.05
30%
-70
- C2 -
3VM0
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
FM
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
K
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
6
PsiBlast_PDB
63.01
30%
-71
- C2 -
3VLZ
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
K
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
9
PsiBlast_PDB
62.80
30%
-70
- C2 -
3B0M
5
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
FM
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
K
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
17
PsiBlast_PDB
62.77
30%
-71
- C2 -
3B0N
5
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
K
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
3
PsiBlast_PDB
62.70
30%
-70
- C2 -
3B0L
5
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
FM
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
G
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
4
PsiBlast_PDB
62.60
30%
-71
- C2 -
3VLX
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
K
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
14
PsiBlast_PDB
62.58
30%
-70
- C2 -
3VKR
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
13
PsiBlast_PDB
62.52
30%
-70
- C2 -
3VKQ
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
12
PsiBlast_PDB
62.47
30%
-70
- C2 -
3VKP
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
15
PsiBlast_PDB
62.22
30%
-70
- C2 -
3VKS
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
11
PsiBlast_PDB
61.99
30%
-69
- C2 -
3B0G
5
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
8
PsiBlast_PDB
61.95
30%
-70
- C2 -
3VM1
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
K
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
24
HHSearch
61.91
29%
-71
- C2 -
2AKJ
2
NIR_SPIOL
A:
[68-602]
------------
R
LE
P
R
V
E
E
R
D
G
F
W
V
L
K
EE
F
--
R
S
G
I
N
P
A
E
K
V
K
I
E
K
D
P
M
K
L
--
F
I
E
D
G
I
S
D
L
A
T
L
S
M
E
E
V
-----
D
KS
K
H
N
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
H
---------------
H
Y
G
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
E
Q
T
R
Y
L
A
S
V
I
K
K
Y
G
K
D
-
G
-
C
A
D
V
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
I
K
G
L
E
S
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
H
E
I
V
D
T
R
P
F
T
N
L
I
S
Q
F
V
T
-----
A
NSRG
N
L
S
I
T
N
L
P
R
K
W
N
P
C
V
I
G
S
H
D
L
Y
E
H
P
H
--
I
N
D
L
A
Y
M
P
A
T
K
N
-
G
K
F
G
F
N
L
L
V
G
G
F
F
S
I
K
R
C
E
-
E
A
I
P
L
D
A
W
V
S
A
E
D
V
V
P
V
C
K
A
M
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
M
E
A
F
R
G
E
V
E
K
-
R
M
P
E
Q
V
L
E
R
A
S
S
E
EL
V
--
Q
K
D
W
E
R
R
----
E
Y
L
G
V
H
P
Q
K
Q
Q
-
G
L
S
F
V
G
L
H
I
P
V
G
R
L
Q
A
D
E
M
E
E
L
A
R
I
A
D
V
Y
G
S
G
E
L
R
L
T
V
E
Q
N
I
I
I
P
N
V
E
N
S
K
I
D
S
L
L
N
E
P
L
L
K
E
R
Y
S
P
E
P
P
I
L
M
K
G
L
V
A
C
T
G
S
Q
F
C
G
Q
A
I
I
E
T
K
A
R
A
L
K
V
T
E
E
V
Q
R
L
V
-
S
----
V
T
R
P
V
R
M
H
W
T
G
C
P
N
S
C
G
Q
V
Q
V
A
D
I
G
F
M
G
C
M
T
R
D
E
N
G
K
P
C
E
G
A
D
V
F
V
G
G
R
I
G
S
D
S
H
L
G
D
I
Y
K
-
K
A
V
P
C
K
D
L
V
P
V
V
A
E
I
L
I
N
-
Q
F
G
A
V
P
R
------------------
16
PsiBlast_PDB
61.86
30%
-70
- C2 -
3VKT
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
10
PsiBlast_PDB
61.83
30%
-69
- C2 -
3B0J
5
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
E
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
N
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------
5
PsiBlast_PDB
61.67
30%
-70
- C2 -
3VLY
6
?
A:
[47-555]
--------
V
A
A
E
R
LE
P
R
V
E
E
K
D
G
Y
W
I
L
K
--
E
QF
R
K
G
I
N
P
Q
E
K
V
K
I
E
K
E
P
M
K
L
F
M
E
-
N
G
I
E
E
L
-
A
K
I
P
I
E
E
I
-----
D
Q
S
K
L
T
K
D
D
I
D
V
R
L
K
W
L
G
L
F
H
R
R
K
N
Q
Y
G
---------------
R
F
M
M
R
L
K
L
P
N
G
V
T
T
S
A
Q
T
R
Y
L
A
S
V
I
R
K
Y
G
-
K
-
E
G
C
A
D
I
T
T
R
Q
N
W
Q
I
R
G
V
V
L
P
D
V
P
E
I
L
K
G
L
A
E
V
G
L
T
S
L
Q
S
G
M
D
N
V
R
N
P
V
G
N
P
L
A
G
I
D
P
E
E
I
V
D
-
T
R
P
Y
T
N
L
L
S
Q
F
I
T
G
NSR
G
----
N
P
A
V
S
N
L
P
R
K
W
K
P
C
V
V
G
S
-
H
-
D
L
Y
E
H
PH
I
N
D
L
A
Y
M
P
A
T
K
-
D
G
R
F
G
F
N
L
L
V
G
G
F
F
S
A
-
K
R
C
D
E
A
I
P
L
D
A
W
V
P
A
D
D
V
V
P
V
C
R
A
I
L
E
A
F
R
D
L
G
F
R
G
N
R
Q
K
C
R
M
M
W
L
I
D
E
L
G
V
E
G
F
R
A
E
V
E
K
R
M
P
Q
Q
Q
-
L
-
E
R
-
A
S
--
P
--
E
D
L
V
Q
K
Q
WERR
D
Y
L
G
V
H
P
Q
-
K
Q
E
G
Y
S
F
I
G
L
H
I
P
V
G
R
V
Q
A
D
D
M
D
E
L
A
R
L
A
D
E
Y
G
S
G
E
I
R
L
T
V
E
Q
N
I
I
I
P
N
I
E
T
S
K
I
E
A
L
L
K
E
P
V
L
-
S
T
F
S
P
D
P
P
I
L
M
K
G
L
V
A
C
T
G
N
Q
F
C
G
Q
A
I
I
E
T
K
A
R
S
L
K
I
T
E
E
V
Q
R
Q
V
-----
S
L
T
K
P
V
R
M
H
W
T
G
C
P
N
T
C
A
Q
V
Q
V
A
D
I
G
F
M
G
C
L
T
R
D
K
N
G
K
T
V
E
G
A
D
V
F
L
G
G
R
I
G
S
D
S
H
L
G
-------------------------------------------------