@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 : gbs0139: (2015-11-28 )
MTLLDSYKLKQDFPILNQLVNDEPLIYLDNAATTQKPNQVLETLRAYYQNDNANVHRGVHTLAERATAQYETAREKARQFLNAKSSKEILFTRGTTTGLNWVAKFAESILERGDEVLISIMEHHSNIIPWQQACERTGAKLVYAYLKDGSLDLEDFYNKLSSKTKFVSLAHISNVLGCITPVKAIAERVHQVGAYMVVDGAQSAPHMAIDVQDLDCDFFALSGHKMLGPTGIGVLYGKESILDKMPPVEFGGEMIDFVYEQSATWKELPWKFEAGTPNIAGAIAFGEALDYLTDVGMDEIHQYEQSLVSYVLPKLQAIDGLTIYGPSDAESHVGVIAFNLEGLHPHDVATAMDYEGVAVRAGHHCAQPLINHLGIHSAVRASFYFYNTKEDCDKLVDAIQKTKEFFNGTL
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTL
L
D
S
YKLKQ
D
F
P
I
L
N
Q
LVNDE
P
L
I
Y
LDNAATTQK
P
N
Q
V
L
E
T
L
R
A
Y
Y
QNDN--A
N
V
H
R
G
V
H
T
L
A
E
R
A
T
A
Q
Y
E
T
A
R
E
K
A
R
Q
F
L
NAKSS
K
E
I
L
F
TRGTTT
G
L
N
W
V
A
-
K
-
F
A
E
S
I
L
ER
G
D
E
V
L
-
I
S
I
M
E
HHSNII
P
W
Q
Q
A
C
E
RTG
A
K
L
-
V
Y
-
A
Y
L-KD-G-SL-
D
L
E
D
F
Y
N
K
LSSKT
K
F
V
S
L
A
H
I
S
N
V
L
G
-
C
I
T
P
V
K
A
I
A
E
R
V
H
QV--G--
A
Y
M
V
V--DGAQSA
P
H
M
A
I
D
V
QDLDC
D
F
F
A
LSG
H
K
MLGPT
G
I
G
V
L
YG
K
E
S
I
L
DKMP
P
V
E
FG
G
E
M
I
D
F
V
-YEQSA
T
W
K
EL
P
W
K
FEAGTPNI
A
G
A
I
A
F
G
E
A
L
D
Y
L
T
DV
G
M
D
E
I
H
Q
Y
E
Q
S
L
V
S
Y
V
L
P
K
L
QAID
G
L
T
I
YGPSD-AES-
H
V
G
V
I
-
A
-
F
N-LEGL
H
P
H
D
V
A
TAMDYE-
G
V
A
V
RAG
H
H
C
A
Q
P
------
L
--
I
N
H
LG-----
I
-----
H
S
A
V
R
A
S
F
Y
F
YN
T
K
E
D
C
D
K
L
V
D
A
I
Q
K
T
K
E
F
FNGTL
22
PsiBlast_CBE
95.72
46%
-105
- C1 -
4W91
1
?
I:
[20-421]
----
D
V
E
A
I
R
R
D
F
P
I
L
S
R
Q
V
H
G
K
T
L
V
Y
L
D
N
G
A
S
A
Q
K
P
Q
S
V
I
D
A
V
T
H
A
Y
A
N
E
Y
--
A
N
V
H
---
H
F
L
S
N
A
A
T
D
A
Y
E
K
S
R
E
T
V
R
R
F
L
N
A
G
S
V
D
E
I
V
F
T
K
N
A
T
E
A
I
N
T
V
A
Y
G
-
Y
G
M
P
F
I
G
E
G
D
E
I
L
-
L
S
I
M
E
H
H
S
N
I
V
P
W
H
F
I
R
E
R
Q
G
A
K
L
-
V
F
-
T
P
V
-
D
D
N
G
-
V
F
-
H
I
E
E
F
E
K
R
L
S
E
R
T
K
L
V
A
I
T
H
M
S
N
T
L
G
-
T
V
V
P
I
K
K
I
V
E
L
A
H
A
R
--
G
--
I
P
V
L
V
--
D
G
S
Q
G
A
V
H
L
P
V
D
V
Q
D
L
G
C
D
W
Y
V
F
T
G
H
-
V
Y
G
P
S
G
I
G
V
L
Y
G
R
A
Q
M
L
E
K
M
R
P
F
Q
G
G
G
E
M
I
E
E
V
-
T
E
E
N
V
T
Y
N
H
P
P
H
R
F
E
A
G
T
P
P
I
V
Q
A
I
G
L
G
A
A
L
E
Y
M
E
K
I
G
R
H
A
I
L
A
H
E
A
D
L
R
D
Y
A
H
E
R
L
G
R
I
N
S
L
R
I
F
G
------
D
-
K
G
A
I
I
-
S
-
F
A
-
L
E
G
I
H
A
H
D
V
S
M
V
I
D
R
A
-
G
V
A
V
R
A
G
T
H
C
A
Q
P
------
L
--
L
K
R
F
G
-----
V
-----
T
S
T
C
R
A
S
F
A
L
Y
N
T
R
A
E
V
D
A
L
A
E
A
L
E
K
A
R
K
F
F
G
---
23
PsiBlast_CBE
95.39
46%
-104
- C1 -
4W91
1
?
H:
[20-421]
----
D
V
E
A
I
R
R
D
F
P
I
L
S
R
Q
V
H
G
K
T
L
V
Y
L
D
N
G
A
S
A
Q
K
P
Q
S
V
I
D
A
V
T
H
A
Y
A
N
E
Y
--
A
N
V
H
----
F
L
S
N
A
A
T
D
A
Y
E
K
S
R
E
T
V
R
R
F
L
N
A
G
S
V
D
E
I
V
F
T
K
N
A
T
E
A
I
N
T
V
A
Y
G
-
Y
G
M
P
F
I
G
E
G
D
E
I
L
-
L
S
I
M
E
H
H
S
N
I
V
P
W
H
F
I
R
E
R
Q
G
A
K
L
-
V
F
-
T
P
V
-
D
D
N
G
-
V
F
-
H
I
E
E
F
E
K
R
L
S
E
R
T
K
L
V
A
I
T
H
M
S
N
T
L
G
-
T
V
V
P
I
K
K
I
V
E
L
A
H
A
R
--
G
--
I
P
V
L
V
--
D
G
S
Q
G
A
V
H
L
P
V
D
V
Q
D
L
G
C
D
W
Y
V
F
T
G
H
-
V
Y
G
P
S
G
I
G
V
L
Y
G
R
A
Q
M
L
E
K
M
R
P
F
Q
G
G
G
E
M
I
E
E
V
-
T
E
E
N
V
T
Y
N
H
P
P
H
R
F
E
A
G
T
P
P
I
V
Q
A
I
G
L
G
A
A
L
E
Y
M
E
K
I
G
R
H
A
I
L
A
H
E
A
D
L
R
D
Y
A
H
E
R
L
G
R
I
N
S
L
R
I
F
G
--
N
-
A
P
D
-
K
G
A
I
I
-
S
-
F
A
-
L
E
G
I
H
A
H
D
V
S
M
V
I
D
R
A
-
G
V
A
V
R
A
G
T
H
C
A
Q
P
------
L
--
L
K
R
F
G
-----
V
-----
T
S
T
C
R
A
S
F
A
L
Y
N
T
R
A
E
V
D
A
L
A
E
A
L
E
K
A
R
K
F
F
G
---
24
PsiBlast_CBE
93.83
46%
-104
- C1 -
4W91
1
?
E:
[20-421]
----
D
V
E
A
I
R
R
D
F
P
I
L
S
R
Q
V
H
G
K
T
L
V
Y
L
D
N
G
A
S
A
Q
K
P
Q
S
V
I
D
A
V
T
H
A
Y
A
N
E
Y
--
A
N
V
H
R
G
L
H
F
L
S
N
A
A
T
D
A
Y
E
K
S
R
E
T
V
R
R
F
L
N
A
G
S
V
D
E
I
V
F
T
K
N
A
T
E
A
I
N
T
V
A
Y
G
-
Y
G
M
P
F
I
G
E
G
D
E
I
L
-
L
S
I
M
E
H
H
S
N
I
V
P
W
H
F
I
R
E
R
Q
G
A
K
L
-
V
F
-
T
P
V
-
D
D
N
G
-
V
F
-
H
I
E
E
F
E
K
R
L
S
E
R
T
K
L
V
A
I
T
H
M
S
N
T
L
G
-
T
V
V
P
I
K
K
I
V
E
L
A
H
A
R
--
G
--
I
P
V
L
V
--
D
G
S
Q
G
A
V
H
L
P
V
D
V
Q
D
L
G
C
D
W
Y
V
F
T
G
H
-
V
Y
G
P
S
G
I
G
V
L
Y
G
R
A
Q
M
L
E
K
M
R
P
F
Q
G
G
G
E
M
I
E
E
V
-
T
E
E
N
V
T
Y
N
H
P
P
H
R
F
E
A
G
T
P
P
I
V
Q
A
I
G
L
G
A
A
L
E
Y
M
E
K
I
G
R
H
A
I
L
A
H
E
A
D
L
R
D
Y
A
H
E
R
L
G
R
I
N
S
L
R
I
F
G
--
N
-
A
P
D
-
K
G
A
I
I
-
S
-
F
A
-
L
E
G
I
H
A
H
D
V
S
M
V
I
D
R
A
-
G
V
A
V
R
A
G
T
H
C
A
Q
P
------
L
--
L
K
R
F
G
-----
V
-----
T
S
T
C
R
A
S
F
A
L
Y
N
T
R
A
E
V
D
A
L
A
E
A
L
E
K
A
R
K
F
F
G
---
2
PsiBlast_PDB
93.76
46%
-106
- C1 -
1JF9
1
SUFS_ECOLI
A:
[9-407]
-------
K
V
R
A
D
F
P
V
L
S
R
E
V
N
G
L
P
L
A
Y
L
D
S
A
A
S
A
Q
K
P
S
Q
V
I
D
A
E
A
E
F
Y
R
H
G
Y
--
A
A
V
H
R
G
I
H
T
L
S
A
Q
A
T
E
K
M
E
N
V
R
K
R
A
S
L
F
I
N
A
R
S
A
E
E
L
V
F
V
R
G
T
T
E
G
I
N
L
V
A
-
N
S
W
G
N
S
N
V
R
A
G
D
N
I
I
-
I
S
Q
M
E
H
H
A
N
I
V
P
W
Q
M
L
C
A
R
V
G
A
E
L
R
V
I
-
P
L
N
-
P
D
-
G
-
T
L
-
Q
L
E
T
L
P
T
L
F
D
E
K
T
R
L
L
A
I
T
H
V
S
N
V
L
G
-
T
E
N
P
L
A
E
M
I
T
L
A
H
Q
H
--
G
--
A
K
V
L
V
--
D
G
A
Q
A
V
M
H
H
P
V
D
V
Q
A
L
D
C
D
F
Y
V
F
S
G
H
K
L
Y
G
P
T
G
I
G
I
L
Y
V
K
E
A
L
L
Q
E
M
P
P
W
E
G
G
G
S
M
I
A
T
V
S
L
S
E
G
T
T
W
T
K
A
P
W
R
F
E
A
G
T
P
N
T
G
G
I
I
G
L
G
A
A
L
E
Y
V
S
A
L
G
L
N
N
I
A
E
Y
E
Q
N
L
M
H
Y
A
L
S
Q
L
E
S
V
P
D
L
T
L
Y
G
P
----
Q
N
-
R
L
G
V
I
-
A
-
F
N
-
L
G
K
H
H
A
Y
D
V
G
S
F
L
D
N
Y
-
G
I
A
V
R
T
G
H
H
C
A
M
P
------
L
--
M
A
Y
Y
N
-----
V
-----
P
A
M
C
R
A
S
L
A
M
Y
N
T
H
E
E
V
D
R
L
V
T
G
L
Q
R
I
H
R
L
L
G
---
1
PsiBlast_PDB
93.65
48%
-99
- C1 -
4Q76
-
CNIF1_ARATH
A:
[21-426]
------
H
R
V
R
K
D
F
R
I
L
H
Q
E
V
N
G
S
K
L
V
Y
L
D
S
A
A
T
S
Q
K
P
A
A
V
L
D
A
L
Q
N
Y
Y
E
F
Y
N
--
S
N
V
H
R
G
I
H
Y
L
S
A
K
A
T
D
E
F
E
L
A
R
K
K
V
A
R
F
I
N
A
S
D
S
R
E
I
V
F
T
R
N
A
T
E
A
I
N
L
V
A
Y
S
-
W
G
L
S
N
L
K
P
G
D
E
V
I
-
L
T
V
A
E
H
H
S
C
I
V
P
W
Q
I
V
S
Q
K
T
G
A
V
L
-
K
F
-
V
T
L
-
N
E
-
D
-
E
V
P
D
I
N
K
L
R
E
L
I
S
P
K
T
K
L
V
A
V
H
H
V
S
N
V
L
A
-
S
S
L
P
I
E
E
I
V
V
W
A
H
D
V
--
G
--
A
K
V
L
V
--
D
A
C
Q
S
V
P
H
M
V
V
D
V
Q
K
L
N
A
D
F
L
V
A
S
S
H
K
M
C
G
P
T
G
I
G
F
L
Y
G
K
S
D
L
L
H
S
M
P
P
F
L
G
G
G
E
M
I
S
D
V
-
F
L
D
H
S
T
Y
A
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P
P
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F
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A
G
T
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A
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G
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A
I
A
L
G
A
A
V
D
Y
L
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G
I
G
M
P
K
I
H
E
Y
E
V
E
I
G
K
Y
L
Y
E
K
L
S
S
L
P
D
V
R
I
Y
G
P
R
P
-
S
E
S
V
H
R
G
A
L
C
S
-
F
N
-
V
E
G
L
H
P
T
D
L
A
T
F
L
D
Q
Q
H
G
V
A
I
R
S
G
H
H
S
A
Q
P
------
L
--
H
R
Y
L
G
-----
V
-----
N
A
S
A
R
A
S
L
Y
F
Y
N
T
K
D
D
V
D
A
F
I
V
A
L
A
D
T
V
S
F
F
N
S
F
K
21
PsiBlast_CBE
93.55
52%
-97
- C1 -
1T3I
4
CSD_SYNY3
B:
[13-414]
--------
V
R
Q
D
F
P
I
L
N
Q
E
I
N
G
H
P
L
V
Y
L
D
N
A
A
T
S
Q
K
P
R
A
V
L
E
K
L
M
H
Y
Y
E
N
D
N
--
A
N
V
---
A
H
Q
L
S
V
R
A
T
D
A
Y
E
A
V
R
N
K
V
A
K
F
I
N
A
R
S
P
R
E
I
V
Y
T
R
N
A
T
E
A
I
N
L
V
A
Y
S
-
W
G
M
N
N
L
K
A
G
D
E
I
I
-
T
T
V
M
E
H
H
S
N
L
V
P
W
Q
M
V
A
A
K
T
G
A
V
L
-
K
F
-
V
Q
L
-
D
E
-
Q
E
S
F
-
D
L
E
H
F
K
T
L
L
S
E
K
T
K
L
V
T
V
V
H
I
S
N
T
L
G
-
C
V
N
P
A
E
E
I
A
Q
L
A
H
Q
A
--
G
--
A
K
V
L
V
--
D
A
C
Q
S
A
P
H
Y
P
L
D
V
Q
L
I
D
C
D
W
L
V
A
S
G
H
K
M
C
A
P
T
G
I
G
F
L
Y
G
K
E
E
I
L
E
A
M
P
P
F
F
G
G
G
E
M
I
A
E
V
-
F
F
D
H
F
T
T
G
E
L
P
H
K
F
E
A
G
T
P
A
I
A
E
A
I
A
L
G
A
A
V
D
Y
L
T
D
L
G
M
E
N
I
H
N
Y
E
V
E
L
T
H
Y
L
W
Q
G
L
G
Q
I
P
Q
L
R
L
Y
G
P
N
P
-
K
H
G
-
D
R
A
A
L
-
A
S
F
N
-
V
A
G
L
H
A
S
D
V
A
T
M
V
D
Q
D
-
G
I
A
I
R
S
G
H
H
C
T
Q
P
------
L
--
H
R
L
F
D
-----
A
-----
S
G
S
A
R
A
S
L
Y
F
Y
N
T
K
E
E
I
D
L
F
L
Q
S
L
Q
A
T
I
R
F
F
S
---
25
PsiBlast_CBE
93.23
46%
-103
- C1 -
4W91
1
?
D:
[20-421]
----
D
V
E
A
I
R
R
D
F
P
I
L
S
R
Q
V
H
G
K
T
L
V
Y
L
D
N
G
A
S
A
Q
K
P
Q
S
V
I
D
A
V
T
H
A
Y
A
N
E
Y
--
A
N
V
H
R
G
L
H
F
L
S
N
A
A
T
D
A
Y
E
K
S
R
E
T
V
R
R
F
L
N
A
G
S
V
D
E
I
V
F
T
K
N
A
T
E
A
I
N
T
V
A
Y
G
-
Y
G
M
P
F
I
G
E
G
D
E
I
L
-
L
S
I
M
E
H
H
S
N
I
V
P
W
H
F
I
R
E
R
Q
G
A
K
L
-
V
F
-
T
P
V
-
D
D
N
G
-
V
F
-
H
I
E
E
F
E
K
R
L
S
E
R
T
K
L
V
A
I
T
H
M
S
N
T
L
G
-
T
V
V
P
I
K
K
I
V
E
L
A
H
A
R
--
G
--
I
P
V
L
V
--
D
G
S
Q
G
A
V
H
L
P
V
D
V
Q
D
L
G
C
D
W
Y
V
F
T
G
H
-
V
Y
G
P
S
G
I
G
V
L
Y
G
R
A
Q
M
L
E
K
M
R
P
F
Q
G
G
G
E
M
I
E
E
V
-
T
E
E
N
V
T
Y
N
H
P
P
H
R
F
E
A
G
T
P
P
I
V
Q
A
I
G
L
G
A
A
L
E
Y
M
E
K
I
G
R
H
A
I
L
A
H
E
A
D
L
R
D
Y
A
H
E
R
L
G
R
I
N
S
L
R
I
F
G
--
N
-
A
P
D
-
K
G
A
I
I
-
S
-
F
A
-
L
E
G
I
H
A
H
D
V
S
M
V
I
D
R
A
-
G
V
A
V
R
A
G
T
H
C
A
Q
P
------
L
--
L
K
R
F
G
-----
V
-----
T
S
T
C
R
A
S
F
A
L
Y
N
T
R
A
E
V
D
A
L
A
E
A
L
E
K
A
R
K
F
F
G
---
3
PsiBlast_PDB
91.93
46%
-103
- C1 -
1I29
2
SUFS_ECOLI
A:
[7-405]
-------
K
V
R
A
D
F
P
V
L
S
R
E
V
N
G
L
P
L
A
Y
L
D
S
A
A
S
A
Q
K
P
S
Q
V
I
D
A
E
A
E
F
Y
R
H
G
Y
--
A
A
V
H
R
G
I
H
T
L
S
A
Q
A
T
E
K
M
E
N
V
R
K
R
A
S
L
F
I
N
A
R
S
A
E
E
L
V
F
V
R
G
T
T
E
G
I
N
L
V
A
-
N
S
W
G
N
S
N
V
R
A
G
D
N
I
I
-
I
S
Q
M
E
H
H
A
N
I
V
P
W
Q
M
L
C
A
R
V
G
A
E
L
R
V
I
-
P
L
N
-
P
D
-
G
-
T
L
-
Q
L
E
T
L
P
T
L
F
D
E
K
T
R
L
L
A
I
T
H
V
S
N
V
L
G
-
T
E
N
P
L
A
E
M
I
T
L
A
H
Q
H
--
G
--
A
K
V
L
V
--
D
G
A
Q
A
V
M
H
H
P
V
D
V
Q
A
L
D
C
D
F
Y
V
F
S
G
H
K
L
Y
G
P
T
G
I
G
I
L
Y
V
K
E
A
L
L
Q
E
M
P
P
W
E
G
G
G
S
M
I
A
T
V
S
L
S
E
G
T
T
W
T
K
A
P
W
R
F
E
A
G
T
P
N
T
G
G
I
I
G
L
G
A
A
L
E
Y
V
S
A
L
G
L
N
N
I
A
E
Y
E
Q
N
L
M
H
Y
A
L
S
Q
L
E
S
V
P
D
L
T
L
Y
G
P
----
Q
N
-
R
L
G
V
I
-
A
-
F
N
-
L
G
K
H
H
A
Y
D
V
G
S
F
L
D
N
Y
-
G
I
A
V
R
T
G
H
H
C
A
M
P
------
L
--
M
A
Y
Y
N
-----
V
-----
P
A
M
C
R
A
S
L
A
M
Y
N
T
H
E
E
V
D
R
L
V
T
G
L
Q
R
I
H
R
L
L
G
---
5
PsiBlast_PDB
91.87
45%
-104
- C1 -
1C0N
2
SUFS_ECOLI
A:
[8-405]
--------
V
R
A
D
F
P
V
L
S
R
E
V
N
G
L
P
L
A
Y
L
D
S
A
A
S
A
Q
K
P
S
Q
V
I
D
A
E
A
E
F
Y
R
H
G
Y
--
A
A
V
H
A
G
A
H
T
L
S
A
Q
A
T
E
K
M
E
N
V
R
K
R
A
S
L
F
I
N
A
R
S
A
E
E
L
V
F
V
R
G
T
T
E
G
I
N
L
V
A
-
N
S
W
G
N
S
N
V
R
A
G
D
N
I
I
-
I
S
Q
M
E
H
H
A
N
I
V
P
W
Q
M
L
C
A
R
V
G
A
E
L
R
V
I
-
P
L
N
-
P
D
-
G
-
T
L
-
Q
L
E
T
L
P
T
L
F
D
A
A
T
R
L
L
A
I
T
H
V
S
N
V
L
G
-
T
E
N
P
L
A
E
M
I
T
L
A
H
Q
H
--
G
--
A
K
V
L
V
--
D
G
A
Q
A
V
M
H
H
P
V
D
V
Q
A
L
D
C
D
F
Y
V
F
S
G
H
K
L
Y
G
P
T
G
I
G
I
L
Y
V
K
E
A
L
L
Q
E
M
P
P
W
E
G
G
G
S
M
I
A
T
V
S
L
S
E
G
T
T
W
T
K
A
P
W
R
F
E
A
G
T
P
N
T
G
G
I
I
G
L
G
A
A
L
E
Y
V
S
A
L
G
L
N
N
I
A
E
Y
E
Q
N
L
M
H
Y
A
L
S
Q
L
E
S
V
P
D
L
T
L
Y
G
P
----
Q
A
-
R
L
G
V
I
-
A
-
F
N
-
L
G
A
H
H
A
Y
D
V
G
S
F
L
D
N
Y
-
G
I
A
V
R
T
G
H
H
C
A
M
P
------
L
--
M
A
Y
Y
N
-----
V
-----
P
A
M
C
R
A
S
L
A
M
Y
N
T
H
E
E
V
D
R
L
V
T
G
L
Q
R
I
H
R
L
L
G
---
6
PsiBlast_PDB
83.95
40%
-93
- C1 -
4LW2
2
CSDA_ECOLI
A:
[5-402]
-
N
V
F
N
P
A
Q
F
R
A
Q
F
P
A
L
Q
-----
D
A
G
V
Y
L
D
S
A
A
T
A
L
K
P
E
A
V
V
E
A
T
Q
Q
F
Y
S
L
S
A
--
G
N
V
H
R
S
Q
F
A
E
A
Q
R
L
T
A
R
Y
E
A
A
R
E
K
V
A
Q
L
L
N
A
P
D
D
K
T
I
V
W
T
R
G
T
T
E
S
I
N
M
V
A
-
Q
C
Y
A
R
P
R
L
Q
P
G
D
E
I
I
-
V
S
V
A
E
H
H
A
N
L
V
P
W
L
M
V
A
Q
Q
T
G
A
K
V
-
V
K
-
L
P
L
-
N
A
-
Q
-
R
L
P
D
V
D
L
L
P
E
L
I
T
P
R
S
R
I
L
A
L
G
Q
M
S
N
V
T
G
G
C
P
D
L
A
R
A
I
T
-
F
A
H
S
A
--
G
--
M
V
V
M
V
--
D
G
A
Q
G
A
V
H
F
P
A
D
V
Q
Q
L
D
I
D
F
Y
A
F
S
G
H
K
L
Y
G
P
T
G
I
G
V
L
Y
G
K
S
E
L
L
E
A
M
S
P
W
L
G
G
G
K
M
V
H
E
V
-
S
F
D
G
F
T
T
Q
S
A
P
W
K
L
E
A
G
T
P
N
V
A
G
V
I
G
L
S
A
A
L
E
W
L
A
D
Y
D
I
N
Q
A
E
S
W
S
R
S
L
A
T
L
A
E
D
A
L
A
K
R
P
G
F
R
S
F
R
C
Q
D
-
S
S
-----
L
L
-
A
-
F
D
-
F
A
G
V
H
H
S
D
M
V
T
L
L
A
E
Y
-
G
I
A
L
R
A
G
Q
H
C
A
Q
P
------
L
--
L
A
E
L
G
-----
V
-----
T
G
T
L
R
A
S
F
A
P
Y
N
T
K
S
D
V
D
A
L
V
N
A
V
D
R
A
L
E
L
L
V
---
30
PsiBlast_CBE
83.40
40%
-94
- C1 -
4LW2
3
CSDA_ECOLI
B:
[5-402]
-
N
V
F
N
P
A
Q
F
R
A
Q
F
P
A
L
Q
-----
D
A
G
V
Y
L
D
S
A
A
T
A
L
K
P
E
A
V
V
E
A
T
Q
Q
F
Y
S
L
S
A
--
G
N
V
H
R
S
Q
F
A
E
A
Q
R
L
T
A
R
Y
E
A
A
R
E
K
V
A
Q
L
L
N
A
P
D
D
K
T
I
V
W
T
R
G
T
T
E
S
I
N
M
V
A
-
Q
C
Y
A
R
P
R
L
Q
P
G
D
E
I
I
-
V
S
V
A
E
H
H
A
N
L
V
P
W
L
M
V
A
Q
Q
T
G
A
K
V
-
V
K
-
L
P
L
-
N
A
-
Q
-
R
L
P
D
V
D
L
L
P
E
L
I
T
P
R
S
R
I
L
A
L
G
Q
M
S
N
V
T
G
G
C
P
D
L
A
R
A
I
T
-
F
A
H
S
A
--
G
--
M
V
V
M
V
--
D
G
A
Q
G
A
V
H
F
P
A
D
V
Q
Q
L
D
I
D
F
Y
A
F
S
G
H
K
L
Y
G
P
T
G
I
G
V
L
Y
G
K
S
E
L
L
E
A
M
S
P
W
L
G
G
G
K
M
V
H
E
V
-
S
F
D
G
F
T
T
Q
S
A
P
W
K
L
E
A
G
T
P
N
V
A
G
V
I
G
L
S
A
A
L
E
W
L
A
D
Y
D
I
N
Q
A
E
S
W
S
R
S
L
A
T
L
A
E
D
A
L
A
K
R
P
G
F
R
S
F
R
C
Q
D
-
S
S
-----
L
L
-
A
-
F
D
-
F
A
G
V
H
H
S
D
M
V
T
L
L
A
E
Y
-
G
I
A
L
R
A
G
Q
H
C
A
Q
P
------
L
--
L
A
E
L
G
-----
V
-----
T
G
T
L
R
A
S
F
A
P
Y
N
T
K
S
D
V
D
A
L
V
N
A
V
D
R
A
L
E
L
L
V
---
29
PsiBlast_CBE
83.34
40%
-96
- C1 -
4LW2
3
CSDA_ECOLI
C:
[6-402]
--
V
F
N
P
A
Q
F
R
A
Q
F
P
A
L
Q
-----
D
A
G
V
Y
L
D
S
A
A
T
A
L
K
P
E
A
V
V
E
A
T
Q
Q
F
Y
S
L
S
A
--
G
N
V
H
R
S
Q
F
A
E
A
Q
R
L
T
A
R
Y
E
A
A
R
E
K
V
A
Q
L
L
N
A
P
D
D
K
T
I
V
W
T
R
G
T
T
E
S
I
N
M
V
A
-
Q
C
Y
A
R
P
R
L
Q
P
G
D
E
I
I
-
V
S
V
A
E
H
H
A
N
L
V
P
W
L
M
V
A
Q
Q
T
G
A
K
V
-
V
K
-
L
P
L
-
N
A
-
Q
-
R
L
P
D
V
D
L
L
P
E
L
I
T
P
R
S
R
I
L
A
L
G
Q
M
S
N
V
T
G
G
C
P
D
L
A
R
A
I
T
-
F
A
H
S
A
--
G
--
M
V
V
M
V
--
D
G
A
Q
G
A
V
H
F
P
A
D
V
Q
Q
L
D
I
D
F
Y
A
F
S
G
H
K
L
Y
G
P
T
G
I
G
V
L
Y
G
K
S
E
L
L
E
A
M
S
P
W
L
G
G
G
K
M
V
H
E
V
-
S
F
D
G
F
T
T
Q
S
A
P
W
K
L
E
A
G
T
P
N
V
A
G
V
I
G
L
S
A
A
L
E
W
L
A
D
Y
D
I
N
Q
A
E
S
W
S
R
S
L
A
T
L
A
E
D
A
L
A
K
R
P
G
F
R
S
F
R
C
Q
D
-
S
S
-----
L
L
-
A
-
F
D
-
F
A
G
V
H
H
S
D
M
V
T
L
L
A
E
Y
-
G
I
A
L
R
A
G
Q
H
C
A
Q
P
------
L
--
L
A
E
L
G
-----
V
-----
T
G
T
L
R
A
S
F
A
P
Y
N
T
K
S
D
V
D
A
L
V
N
A
V
D
R
A
L
E
L
L
V
---
28
PsiBlast_CBE
83.32
40%
-96
- C1 -
4LW4
2
CSDA_ECOLI
B:
[6-402]
--
V
F
N
P
A
Q
F
R
A
Q
F
P
A
L
Q
-----
D
A
G
V
Y
L
D
S
A
A
T
A
L
K
P
E
A
V
V
E
A
T
Q
Q
F
Y
S
L
S
A
--
G
N
V
H
R
S
Q
F
A
E
A
Q
R
L
T
A
R
Y
E
A
A
R
E
K
V
A
Q
L
L
N
A
P
D
D
K
T
I
V
W
T
R
G
T
T
E
S
I
N
M
V
A
-
Q
C
Y
A
R
P
R
L
Q
P
G
D
E
I
I
-
V
S
V
A
E
H
H
A
N
L
V
P
W
L
M
V
A
Q
Q
T
G
A
K
V
-
V
K
-
L
P
L
-
N
A
-
Q
-
R
L
P
D
V
D
L
L
P
E
L
I
T
P
R
S
R
I
L
A
L
G
Q
M
S
N
V
T
G
G
C
P
D
L
A
R
A
I
T
-
F
A
H
S
A
--
G
--
M
V
V
M
V
--
D
G
A
Q
G
A
V
H
F
P
A
D
V
Q
Q
L
D
I
D
F
Y
A
F
S
G
H
K
L
Y
G
P
T
G
I
G
V
L
Y
G
K
S
E
L
L
E
A
M
S
P
W
L
G
G
G
K
M
V
H
E
V
-
S
F
D
G
F
T
T
Q
S
A
P
W
K
L
E
A
G
T
P
N
V
A
G
V
I
G
L
S
A
A
L
E
W
L
A
D
Y
D
I
N
Q
A
E
S
W
S
R
S
L
A
T
L
A
E
D
A
L
A
K
R
P
G
F
R
S
F
R
C
Q
D
-
S
S
-----
L
L
-
A
-
F
D
-
F
A
G
V
H
H
S
D
M
V
T
L
L
A
E
Y
-
G
I
A
L
R
A
G
Q
H
C
A
Q
P
------
L
--
L
A
E
L
G
-----
V
-----
T
G
T
L
R
A
S
F
A
P
Y
N
T
K
S
D
V
D
A
L
V
N
A
V
D
R
A
L
E
L
L
V
---
7
PsiBlast_PDB
82.65
40%
-97
- C1 -
4LW4
2
CSDA_ECOLI
A:
[6-402]
--
V
F
N
P
A
Q
F
R
A
Q
F
P
A
L
Q
-----
D
A
G
V
Y
L
D
S
A
A
T
A
L
K
P
E
A
V
V
E
A
T
Q
Q
F
Y
S
L
S
A
--
G
------
F
A
E
A
Q
R
L
T
A
R
Y
E
A
A
R
E
K
V
A
Q
L
L
N
A
P
D
D
K
T
I
V
W
T
R
G
T
T
E
S
I
N
M
V
A
-
Q
C
Y
A
R
P
R
L
Q
P
G
D
E
I
I
-
V
S
V
A
E
H
H
A
N
L
V
P
W
L
M
V
A
Q
Q
T
G
A
K
V
-
V
K
-
L
P
L
-
N
A
-
Q
-
R
L
P
D
V
D
L
L
P
E
L
I
T
P
R
S
R
I
L
A
L
G
Q
M
S
N
V
T
G
G
C
P
D
L
A
R
A
I
T
-
F
A
H
S
A
--
G
--
M
V
V
M
V
--
D
G
A
Q
G
A
V
H
F
P
A
D
V
Q
Q
L
D
I
D
F
Y
A
F
S
G
H
K
L
Y
G
P
T
G
I
G
V
L
Y
G
K
S
E
L
L
E
A
M
S
P
W
L
G
G
G
K
M
V
H
E
V
-
S
F
D
G
F
T
T
Q
S
A
P
W
K
L
E
A
G
T
P
N
V
A
G
V
I
G
L
S
A
A
L
E
W
L
A
D
Y
D
I
N
Q
A
E
S
W
S
R
S
L
A
T
L
A
E
D
A
L
A
K
R
P
G
F
R
S
F
R
C
Q
D
-
S
S
-----
L
L
-
A
-
F
D
-
F
A
G
V
H
H
S
D
M
V
T
L
L
A
E
Y
-
G
I
A
L
R
A
G
Q
H
C
A
Q
P
------
L
--
L
A
E
L
G
-----
V
-----
T
G
T
L
R
A
S
F
A
P
Y
N
T
K
S
D
V
D
A
L
V
N
A
V
D
R
A
L
E
L
L
V
---
50
HHSearch
75.47
25%
-98
- C1 -
1EG5
3
?
A:
[2-376]
------------------------
R
V
Y
F
D
N
N
A
T
T
R
V
D
D
R
V
L
E
E
M
I
V
F
Y
R
E
K
Y
--
G
N
P
N
S
-
A
H
G
M
G
I
E
A
N
L
H
M
E
K
A
R
E
K
V
A
K
V
L
G
V
S
-
P
S
E
I
F
F
T
S
C
A
T
E
S
I
N
W
I
L
-
K
T
V
A
-
E
T
F
E
K
R
K
R
T
I
I
T
T
P
I
E
H
K
A
V
L
E
T
M
K
Y
-
L
S
M
K
G
F
K
V
-
K
Y
-
V
P
V
-
D
S
R
G
-
V
V
-
K
L
E
E
L
E
K
L
V
D
E
D
T
F
L
V
S
I
M
A
A
N
N
E
V
G
-
T
I
Q
P
V
E
D
V
T
R
I
V
K
K
K
NK
E
--
T
L
V
H
V
--
D
A
V
Q
T
I
G
K
I
P
F
S
L
E
K
L
E
V
D
Y
A
S
F
S
A
H
K
F
H
G
P
K
G
V
G
I
T
Y
I
R
K
G
V
P
--
I
R
P
L
I
H
G
G
G
Q
---------------
E
R
G
L
R
S
G
T
Q
N
V
P
G
I
V
G
A
A
R
A
M
E
I
A
V
E
-
E
L
S
E
A
A
K
H
M
E
K
L
R
S
K
L
V
S
G
L
M
N
L
-
G
A
H
I
I
T
P
L
E
-
I
-
S
-
L
P
N
T
L
-
S
-
V
S
-
F
P
N
I
R
G
S
T
L
Q
N
L
L
S
G
Y
-
G
I
Y
V
S
T
--------------H
V
L
D
A
M
G
VD
R
R
I
A
-----
Q
G
A
I
R
I
S
L
C
K
Y
N
T
E
E
E
V
D
Y
F
L
K
K
I
E
E
I
L
S
F
L
----
12
PsiBlast_PDB
71.20
22%
-89
- C1 -
1EG5
3
?
A:
[3-376]
-------------------------
V
Y
F
D
N
N
A
T
T
R
V
D
D
R
V
L
E
E
M
I
V
F
Y
R
E
K
Y
--
G
N
P
N
-
S
A
H
G
M
G
I
E
A
N
L
H
M
E
K
A
R
E
K
V
A
K
V
L
G
V
S
P
S
-
E
I
F
F
T
S
C
A
T
E
S
I
N
W
I
L
-
K
-
T
V
A
E
T
F
E
K
R
K
R
T
I
-
I
T
T
P
I
E
H
K
A
V
L
E
T
M
K
Y
L
S
M
K
G
F
K
V
-
K
Y
-
V
P
V
-
D
S
R
G
-
V
V
-
K
L
E
E
L
E
K
L
V
D
E
D
T
F
L
V
S
I
M
A
A
N
N
E
V
G
-
T
I
Q
P
V
E
D
V
T
R
I
V
K
K
K
--
N
--
K
E
T
L
V
H
V
D
A
V
Q
T
I
G
K
I
P
F
S
L
E
K
L
E
V
D
Y
A
S
F
S
A
H
K
F
H
G
P
K
G
V
G
I
T
Y
I
R
K
G
V
P
I
R
-
P
L
I
H
G
G
G
Q
----------------
E
R
G
L
R
S
G
T
Q
N
V
P
G
I
V
G
A
A
R
A
M
E
I
A
V
E
-
E
L
S
E
A
A
K
H
M
E
K
L
R
S
K
L
V
S
G
L
M
N
L
-
G
A
H
I
I
T
P
L
E
-
I
-
S
-
L
P
N
T
L
-
S
-
V
S
-
F
P
N
I
R
G
S
T
L
Q
N
L
L
S
G
Y
-
G
I
Y
V
S
T
-------H-----
V
--
L
D
A
M
G
-----
V
D
R
R
I
A
Q
G
A
I
R
I
S
L
C
K
Y
N
T
E
E
E
V
D
Y
F
L
K
K
I
E
E
I
L
S
F
L
----
11
PsiBlast_PDB
70.46
22%
-88
- C1 -
1ECX
2
?
A:
[3-376]
-------------------------
V
Y
F
D
N
N
A
T
T
R
V
D
D
R
V
L
E
E
M
I
V
F
Y
R
E
K
Y
--
G
N
P
N
-
S
A
H
G
M
G
I
E
A
N
L
H
M
E
K
A
R
E
K
V
A
K
V
L
G
V
S
P
S
-
E
I
F
F
T
S
C
A
T
E
S
I
N
W
I
L
-
K
-
T
V
A
E
T
F
E
K
R
K
R
T
I
-
I
T
T
P
I
E
H
K
A
V
L
E
T
M
K
Y
L
S
M
K
G
F
K
V
-
K
Y
-
V
P
V
-
D
S
R
G
-
V
V
-
K
L
E
E
L
E
K
L
V
D
E
D
T
F
L
V
S
I
M
A
A
N
N
E
V
G
-
T
I
Q
P
V
E
D
V
T
R
I
V
K
K
K
--
N
--
K
E
T
L
V
H
V
D
A
V
Q
T
I
G
K
I
P
F
S
L
E
K
L
E
V
D
Y
A
S
F
S
A
H
K
F
H
G
P
K
G
V
G
I
T
Y
I
R
K
G
V
P
I
R
-
P
L
I
H
G
G
G
Q
----------------
E
R
G
L
R
S
G
T
Q
N
V
P
G
I
V
G
A
A
R
A
M
E
I
A
V
E
-
E
L
S
E
A
A
K
H
M
E
K
L
R
S
K
L
V
S
G
L
M
N
L
-
G
A
H
I
I
T
P
L
E
-
I
-
S
-
L
P
N
T
L
-
S
-
V
S
-
F
P
N
I
R
G
S
T
L
Q
N
L
L
S
G
Y
-
G
I
Y
V
S
T
-------H-----
V
--
L
D
A
M
G
-----
V
D
R
R
I
A
Q
G
A
I
R
I
S
L
C
K
Y
N
T
E
E
E
V
D
Y
F
L
K
K
I
E
E
I
L
S
F
L
----
9
PsiBlast_PDB
69.09
24%
-94
- C1 -
3LVK
1
ISCS_ECO57
A:
[24-395]
-------------------------
I
Y
L
D
Y
S
A
T
T
P
V
D
P
R
V
A
E
K
M
M
Q
F
M
T
M
D
G
TF
G
N
P
A
S
R
S
H
R
F
G
W
Q
A
E
E
A
V
D
I
A
R
N
Q
I
A
D
L
V
G
A
-
D
P
R
E
I
V
F
T
S
G
A
T
E
S
D
N
L
A
I
-
K
-
G
A
A
N
F
Y
Q
K
K
G
K
H
I
-
I
T
S
K
T
E
H
K
A
V
L
D
T
C
R
Q
L
E
R
E
G
F
E
V
-
T
Y
L
A
P
Q
-
R
N
-
G
-
I
I
-
D
L
K
E
L
E
A
A
M
R
D
D
T
I
L
V
S
I
M
H
V
N
N
E
I
G
-
V
V
Q
D
I
A
A
I
G
E
M
C
R
A
R
--
G
--
I
I
Y
H
V
--
D
A
T
Q
S
V
G
K
L
P
I
D
L
S
Q
L
K
V
D
L
M
S
F
S
G
H
K
I
Y
G
P
K
G
I
G
A
L
Y
-----
V
R
R
K
P
R
V
R
I
E
A
Q
M
H
G
G
G
-
H
E
R
G
---------
M
R
S
G
T
L
P
V
H
Q
I
V
G
M
G
E
A
Y
R
I
A
K
E
E
M
A
T
E
M
E
R
L
-
R
G
L
R
N
R
L
W
N
G
I
K
D
I
E
E
V
Y
L
N
G
D
L
E
H
G
A
P
-
N
I
L
N
V
-
S
-
F
N
Y
V
E
G
-----
E
S
L
I
M
A
L
K
-
D
L
A
V
S
S
G
S
A
C
---LEPS
Y
-
V
--
L
R
A
L
G
-----
L
N
D
E
L
A
H
S
S
I
R
F
S
L
G
R
F
T
T
E
E
E
I
D
Y
T
I
E
L
V
R
K
S
I
G
R
L
R
D
L
S
8
PsiBlast_PDB
69.06
24%
-91
- C1 -
3LVJ
2
ISCS_ECO57
A:
[24-395]
-------------------------
I
Y
L
D
Y
S
A
T
T
P
V
D
P
R
V
A
E
K
M
M
Q
F
M
T
M
D
G
TF
G
N
P
A
S
R
S
H
R
F
G
W
Q
A
E
E
A
V
D
I
A
R
N
Q
I
A
D
L
V
G
A
-
D
P
R
E
I
V
F
T
S
G
A
T
E
S
D
N
L
A
I
-
K
-
G
A
A
N
F
Y
Q
K
K
G
K
H
I
-
I
T
S
K
T
E
H
K
A
V
L
D
T
C
R
Q
L
E
R
E
G
F
E
V
-
T
Y
L
A
P
Q
-
R
N
-
G
-
I
I
-
D
L
K
E
L
E
A
A
M
R
D
D
T
I
L
V
S
I
M
H
V
N
N
E
I
G
-
V
V
Q
D
I
A
A
I
G
E
M
C
R
A
R
--
G
--
I
I
Y
H
V
--
D
A
T
Q
S
V
G
K
L
P
I
D
L
S
Q
L
K
V
D
L
M
S
F
S
G
H
K
I
Y
G
P
K
G
I
G
A
L
Y
-----
V
R
R
K
P
R
V
R
I
E
A
Q
M
H
G
G
G
-
H
E
R
G
---------
M
R
S
G
T
L
P
V
H
Q
I
V
G
M
G
E
A
Y
R
I
A
K
E
E
M
A
T
E
M
E
R
L
-
R
G
L
R
N
R
L
W
N
G
I
K
D
I
E
E
V
Y
L
N
G
D
L
E
H
G
A
P
-
N
I
L
N
V
-
S
-
F
N
Y
V
E
G
-----
E
S
L
I
M
A
L
K
-
D
L
A
V
S
S
G
------SLEPS
Y
V
--
L
R
A
L
G
-----
L
N
D
E
L
A
H
S
S
I
R
F
S
L
G
R
F
T
T
E
E
E
I
D
Y
T
I
E
L
V
R
K
S
I
G
R
L
R
D
L
S
39
Fugue
67.33
24%
-85
- C1 -
1ECX
2
?
A:
[1-376]
M
R
-----------------------
V
Y
F
D
N
N
A
T
T
R
V
D
D
R
V
L
E
E
M
I
V
F
Y
R
E
K
Y
--
G
N
P
N
S
-
A
H
G
M
G
I
E
A
N
L
H
M
E
K
A
R
E
K
V
A
K
V
L
G
V
S
-
P
S
E
I
F
F
T
S
C
A
T
E
S
I
N
W
I
L
-
K
T
V
A
E
T
F
E
K
R
K
R
T
I
I
-
T
T
P
I
E
H
K
A
V
L
E
T
M
K
Y
L
S
M
K
-
G
F
K
V
-
K
Y
-
V
P
V
D
S
R
-
G
-
V
V
-
K
L
E
E
L
E
K
L
V
D
E
D
T
F
L
V
S
I
M
A
A
N
N
E
V
G
-
T
I
Q
P
V
E
D
V
T
R
I
V
K
K
K
--
N
KE
T
L
V
H
V
--
D
A
V
Q
T
I
G
K
I
P
F
S
L
E
K
L
E
V
D
Y
A
S
F
S
A
H
K
F
H
G
P
K
G
V
G
I
T
Y
I
R
K
G
V
--
P
I
R
P
L
I
H
G
G
G
Q
---------------
E
R
G
L
R
S
G
T
Q
N
V
P
G
I
V
G
A
A
R
A
M
E
I
A
V
E
-
E
L
S
E
A
A
K
H
M
E
K
L
R
S
K
L
V
S
G
L
M
N
L
G
--
A
H
I
I
T
P
L
-
E
I
S
-
L
P
N
T
L
-
S
-
V
S
-
F
P
N
I
R
G
S
T
L
Q
N
L
L
S
G
Y
-
G
I
Y
V
S
T
H
V
L
D
A
M
G
------
V
--
D
R
R
I
A
-----------
Q
G
A
I
R
I
S
L
C
K
Y
N
T
E
E
E
V
D
Y
F
L
K
K
I
E
E
I
L
S
F
L
----