@TOME V2.3
(Mar 2018)
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 : Q3Y2V8: (2018-02-02 )
MNKIVEVQNVTKVYGKNNEKKTQALSGISFDVEKGEFIGIMGASGSGKSTLLNILSTLDKPTDGHIRINQKDVTTLKGNQLADFRANEIGFIFQDFNLLESLTAQENIAVPLSLQGVRPKEIKQRVQKIAERLSISHILESYPSEISGGQKQRVAAARALITQPTILLGDEPTGALDSKSARDLLDTMDELNTKDHVSILLVTHDPFSASYCQRILFIKDGGIHQEVKRGDQSRDSFYREILSILGNLEQ
Atome Classification :
(33 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--------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MNK
I
V
E
V
Q
N
V
T
K
V
YGKNNE
K
K
T
QALS
G
I
S
F
DVEKG
E
F
I
G
I
MGASGS
G
K
S
T
L
L
N
I
L
S
T
LDKPTDG
H
I
R
INQKD
V
T
TLKG----------NQLADFRANEI
G
F
I
F
Q
--
D
F
N
L
L
E
S
L
TAQEN
I
A
-
V
-
P
L
SLQGV
R
P
K
E
I
K
Q
R
V
Q
K
I
A
E
R
L
S
I
S
-
H
-----
I
L
E
-SY----
P
S
EI-------SGG
Q
K
Q
R
V
A
A
A
R
A
LITQ
P
T
I
L
LGDEPTGALD
S
K
---
S
A
R
D
L
L
D
T
M
D
ELNTKD
H
V
S
I
L
L
V
THD-P-F
S
A
-
S
Y
-
C
Q
R
I
L
F
I
KDGG
I
H
Q
E
V
K
-RGDQ
S
R
D
S
F
Y
R
E
I
L
S
I
LGNLEQ----------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
93.87
42%
0
- C- -
-
5NIL
-
?
J:
[1-240]
M
T
P
L
L
E
L
K
D
I
R
R
S
Y
P
A
G
D
E
Q
-
V
E
V
L
K
G
I
S
L
D
I
Y
A
G
E
M
V
A
I
V
G
A
S
G
S
G
K
S
T
L
M
N
I
L
G
C
L
D
K
A
T
S
G
T
Y
R
V
A
G
Q
D
V
A
T
L
D
A
----------
D
A
L
A
Q
L
R
R
E
H
F
G
F
I
F
Q
--
R
Y
H
L
L
S
H
L
T
A
E
Q
N
V
E
-
V
-
P
A
V
Y
A
G
L
E
R
K
Q
R
L
L
R
A
Q
E
L
L
Q
R
L
G
L
E
-
D
-----
R
T
E
-
Y
Y
----
P
A
Q
L
-------
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
M
N
G
G
Q
V
I
L
A
D
E
P
T
G
A
L
D
S
H
---
S
G
E
E
V
M
A
I
L
H
Q
L
R
D
R
G
H
-
T
V
I
I
V
T
H
D
-
P
-
Q
V
A
-
A
Q
-
A
E
R
V
I
E
I
R
D
G
E
I
--------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
93.87
42%
0
- C- -
-
5NIK
-
?
J:
[1-240]
M
T
P
L
L
E
L
K
D
I
R
R
S
Y
P
A
G
D
E
Q
-
V
E
V
L
K
G
I
S
L
D
I
Y
A
G
E
M
V
A
I
V
G
A
S
G
S
G
K
S
T
L
M
N
I
L
G
C
L
D
K
A
T
S
G
T
Y
R
V
A
G
Q
D
V
A
T
L
D
A
----------
D
A
L
A
Q
L
R
R
E
H
F
G
F
I
F
Q
--
R
Y
H
L
L
S
H
L
T
A
E
Q
N
V
E
-
V
-
P
A
V
Y
A
G
L
E
R
K
Q
R
L
L
R
A
Q
E
L
L
Q
R
L
G
L
E
-
D
-----
R
T
E
-
Y
Y
----
P
A
Q
L
-------
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
M
N
G
G
Q
V
I
L
A
D
E
P
T
G
A
L
D
S
H
---
S
G
E
E
V
M
A
I
L
H
Q
L
R
D
R
G
H
-
T
V
I
I
V
T
H
D
-
P
-
Q
V
A
-
A
Q
-
A
E
R
V
I
E
I
R
D
G
E
I
--------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
84.21
38%
-135
- C1 -
-
3TUZ
1
METN_ECOLI
C:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
83.42
41%
-98
- C1 -
-
2PCJ
-
LOLD_AQUAE
A:
[2-223]
-
A
E
I
L
R
A
E
N
I
K
K
V
I
-----
R
G
Y
E
I
L
K
G
I
S
L
S
V
K
K
G
E
F
V
S
I
I
G
A
S
G
S
G
K
S
T
L
L
Y
I
L
G
L
L
D
A
P
T
E
G
K
V
F
L
E
G
K
E
V
D
Y
T
N
E
----------
K
E
L
S
L
L
R
N
R
K
L
G
F
V
F
Q
--
F
H
Y
L
I
P
E
L
T
A
L
E
N
V
I
-
V
-
P
M
L
K
M
G
K
P
K
K
E
A
K
E
R
G
E
Y
L
L
S
E
L
G
L
G
-
D
-----
K
L
S
-
R
K
----
P
Y
E
L
-------
S
G
G
E
Q
Q
R
V
A
I
A
R
A
L
A
N
E
P
I
L
L
F
A
D
E
P
T
G
N
L
D
S
A
---
N
T
K
R
V
M
D
I
F
L
K
I
N
-
E
G
G
T
S
I
V
M
V
T
H
E
-
R
-
E
L
A
-
E
L
-
T
H
R
T
L
E
M
K
D
G
K
V
V
G
E
I
T
-
R
-------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
82.83
38%
-122
- C1 -
-
3TUI
1
METN_ECOLI
G:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
129
HHSearch
82.75
37%
-122
- C1 -
-
3DHW
-
METN_ECOLI
C:
[1-228]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
-
R
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
E
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
-
M
-
D
V
V
K
R
I
-
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
-
V
S
E
V
----------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
82.50
38%
-132
- C1 -
-
3TUJ
-
METN_ECOLI
C:
[2-217]
----
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
-
M
D
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
82.15
38%
-130
- C1 -
-
3TUI
1
METN_ECOLI
H:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
130
Fugue
82.09
34%
-111
- C1 -
-
3TUZ
1
METN_ECOLI
H:
[23-362]
--
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
R
Q
-
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
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E
L
L
K
D
I
N
R
R
L
G
L
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I
L
L
I
T
H
E
-
M
-
D
V
V
-
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
-
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
S
T
L
H
LDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEV-------------
9
PsiBlast_PDB
81.96
38%
-126
- C1 -
-
3TUI
1
METN_ECOLI
C:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
81.84
38%
-127
- C1 -
-
3TUZ
1
METN_ECOLI
G:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
81.74
38%
-128
- C1 -
-
3TUZ
1
METN_ECOLI
H:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
81.70
41%
-97
- C1 -
-
2PCL
5
LOLD_AQUAE
A:
[2-223]
-
A
E
I
L
R
A
E
N
I
K
K
V
I
-----
R
G
Y
E
I
L
K
G
I
S
L
S
V
K
K
G
E
F
V
S
I
I
G
A
S
G
S
G
K
S
T
L
L
Y
I
L
G
L
L
D
A
P
T
E
G
K
V
F
L
E
G
K
E
V
D
Y
T
N
E
----------
K
E
L
S
L
L
R
N
R
K
L
G
F
V
F
Q
--
F
H
Y
L
I
P
E
L
T
A
L
E
N
V
I
-
V
-
P
M
L
K
M
G
K
P
K
K
E
A
K
E
R
G
E
Y
L
L
S
E
L
G
L
G
-
D
-----
K
L
S
-
R
K
----
P
Y
E
L
-------
S
G
G
E
Q
Q
R
V
A
I
A
R
A
L
A
N
E
P
I
L
L
F
A
D
E
P
T
G
N
L
D
S
A
---
N
T
K
R
V
M
D
I
F
L
K
I
N
-
E
G
G
T
S
I
V
M
V
T
H
E
-
R
-
E
L
A
-
E
L
-
T
H
R
T
L
E
M
K
D
G
K
V
V
G
E
I
T
-
R
-------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.16
39%
-125
- C1 -
-
3DHW
-
METN_ECOLI
C:
[1-217]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
E
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
131
Fugue
80.80
35%
-94
- C1 -
-
1OXS
-
?
C:
[1-352]
M
V
R
-
I
I
V
K
N
V
S
K
V
F
K
K
G
K
---
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
A
S
-
N
G
----------
K
L
I
V
P
P
E
D
R
K
I
G
M
V
F
Q
--
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
-
F
-
P
L
T
N
M
K
M
S
K
E
E
I
R
K
R
V
E
E
V
A
K
I
L
D
I
H
-
H
-----
V
L
N
-
H
F
----
P
R
E
L
-------
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
---
M
R
D
S
A
R
A
L
V
K
E
V
Q
S
R
L
G
V
T
L
L
V
V
S
H
D
-
P
-
A
D
I
-
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
LEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK
29
PsiBlast_CBE
80.37
38%
-123
- C1 -
-
3TUI
1
METN_ECOLI
D:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
79.87
38%
-121
- C1 -
-
3TUZ
1
METN_ECOLI
D:
[24-240]
---
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
----------
S
E
L
T
K
A
R
-
R
Q
I
G
M
I
F
Q
--
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
-
L
-
P
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
-
D
-----
K
H
D
-
S
Y
----
P
S
N
L
-------
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
---
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
-
V
V
K
-
R
I
-
C
D
C
V
A
V
I
S
N
G
----------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
79.67
36%
-70
- C1 -
-
1OXV
-
?
A:
[1-246]
M
V
R
I
I
-
V
K
N
V
S
K
V
F
K
K
G
---
K
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
F
D
D
R
L
V
A
S
-
N
G
----------
K
L
I
V
P
P
E
D
R
K
I
G
M
V
F
Q
--
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
-
F
-
P
L
T
N
M
K
M
S
K
E
E
I
R
K
R
V
E
E
V
A
K
I
L
D
I
H
-
H
-----
V
L
N
-
H
F
----
P
R
E
L
-------
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
D
S
A
R
A
L
---
V
K
E
V
Q
S
R
L
G
V
T
L
L
V
V
S
H
D
-
P
-
A
D
I
F
A
I
-
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
----------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
78.75
41%
-24
- C1 -
-
3TIF
4
Y796_METJA
B:
[1-232]
---
M
V
K
L
K
N
V
T
K
T
Y
-
K
M
G
E
E
I
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
----------
D
E
L
T
K
I
R
R
D
K
I
G
F
V
F
Q
--
Q
F
N
L
I
P
L
L
T
A
L
E
N
V
E
-
L
-
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
R
A
L
E
C
L
K
M
A
-
E
-----
L
E
E
-
R
F
ANHK
P
N
Q
L
-------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
---
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
-
N
V
A
-
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
E
R
E
E
K
L
R
G
F
-----------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
78.51
41%
-16
- C1 -
-
1F3O
1
Y796_METJA
A:
[2-232]
----
I
K
L
K
N
V
T
K
T
Y
-
K
M
G
E
E
I
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
----------
D
E
L
T
K
I
R
R
D
K
I
G
F
V
F
Q
--
Q
F
N
L
I
P
L
L
T
A
L
E
N
V
E
-
L
-
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
R
A
L
E
C
L
K
M
A
-
E
-----
L
E
E
-
R
F
ANHK
P
N
Q
L
-------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
E
P
T
G
A
L
D
S
K
---
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
-
N
V
A
-
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
E
R
E
E
K
L
R
G
F
-----------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
78.00
41%
-29
- C1 -
-
1L2T
3
Y796_METJA
B:
[1-232]
---
M
I
K
L
K
N
V
T
K
T
Y
-
K
M
G
E
E
I
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
----------
D
E
L
T
K
I
R
R
D
K
I
G
F
V
F
Q
--
Q
F
N
L
I
P
L
L
T
A
L
E
N
V
E
-
L
-
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
R
A
L
E
C
L
K
M
A
-
E
-----
L
E
E
-
R
F
ANHK
P
N
Q
L
-------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
---
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
-
N
V
A
-
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
E
R
E
E
K
L
R
G
F
-----------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
77.77
41%
-22
- C1 -
-
3TIF
4
Y796_METJA
A:
[1-230]
---
M
V
K
L
K
N
V
T
K
T
Y
-
K
M
G
E
E
I
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
----------
D
E
L
T
K
I
R
R
D
K
I
G
F
V
F
Q
--
Q
F
N
L
I
P
L
L
T
A
L
E
N
V
E
-
L
-
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
R
A
L
E
C
L
K
M
A
-
E
-----
L
E
E
-
R
F
ANHK
P
N
Q
L
-------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
---
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
-
N
V
A
-
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
E
R
E
E
K
L
R
-------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.17
41%
-23
- C1 -
-
1L2T
3
Y796_METJA
A:
[1-230]
---
M
I
K
L
K
N
V
T
K
T
Y
-
K
M
G
E
E
I
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
D
D
----------
D
E
L
T
K
I
R
R
D
K
I
G
F
V
F
Q
--
Q
F
N
L
I
P
L
L
T
A
L
E
N
V
E
-
L
-
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
R
A
L
E
C
L
K
M
A
-
E
-----
L
E
E
-
R
F
ANHK
P
N
Q
L
-------
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
---
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
-
I
-
N
V
A
-
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
E
R
E
E
K
L
R
-------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
70.52
35%
-66
- C1 -
-
4YMV
1
?
A:
[1-226]
---
M
I
F
V
N
D
V
Y
K
N
F
G
S
-----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
G
K
V
----------
N
-
I
N
K
V
R
-
Q
K
V
G
M
V
F
Q
--
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
-
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
-
D
-----
K
K
D
-
Q
Y
----
P
I
K
L
-------
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
---
M
V
K
E
V
L
N
V
M
K
Q
L
-
A
N
E
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
-
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
-----
G
T
P
E
E
I
F
Y
R
---------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
69.67
35%
-64
- C1 -
-
4YMV
1
?
J:
[1-226]
---
M
I
F
V
N
D
V
Y
K
N
F
G
S
-----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
G
K
V
----------
N
-
I
N
K
V
R
-
Q
K
V
G
M
V
F
Q
--
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
-
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
-
D
-----
K
K
D
-
Q
Y
----
P
I
K
L
-------
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
---
M
V
K
E
V
L
N
V
M
K
Q
L
-
A
N
E
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
-
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
-----
G
T
P
E
E
I
F
Y
R
---------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
69.29
35%
-63
- C1 -
-
4YMU
1
?
A:
[1-226]
---
M
I
F
V
N
D
V
Y
K
N
F
G
S
-----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
G
K
V
----------
N
-
I
N
K
V
R
-
Q
K
V
G
M
V
F
Q
--
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
-
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
-
D
-----
K
K
D
-
Q
Y
----
P
I
K
L
-------
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
---
M
V
K
E
V
L
N
V
M
K
Q
L
-
A
N
E
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
-
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
-----
G
T
P
E
E
I
F
Y
R
---------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
68.33
35%
-60
- C1 -
-
4YMU
1
?
J:
[1-226]
---
M
I
F
V
N
D
V
Y
K
N
F
G
S
-----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
G
K
V
----------
N
-
I
N
K
V
R
-
Q
K
V
G
M
V
F
Q
--
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
-
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
-
D
-----
K
K
D
-
Q
Y
----
P
I
K
L
-------
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
---
M
V
K
E
V
L
N
V
M
K
Q
L
-
A
N
E
G
M
T
M
V
V
V
T
H
E
-
M
G
F
A
R
-
E
V
-
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
-----
G
T
P
E
E
I
F
Y
R
---------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
66.19
32%
-45
- C1 -
-
3C41
2
?
J:
[2-224]
--
Q
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
-
K
D
----------
T
N
L
N
K
V
R
-
E
E
V
G
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
N
I
T
-
L
A
P
M
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
K
-
D
-----
K
A
H
-
A
Y
----
P
D
S
L
-------
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
---
M
V
G
E
V
L
S
V
M
K
Q
L
-
A
N
E
G
M
T
M
V
V
V
T
H
E
M
G
-
F
A
R
-
E
V
-
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
-
P
E
D
-----------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
61.69
32%
-23
- C1 -
-
1B0U
1
HISP_SALTY
A:
[7-234]
----
L
H
V
I
D
L
H
K
R
Y
G
G
H
-----
E
V
L
K
G
V
S
L
Q
A
R
A
G
D
V
I
S
I
I
G
S
S
G
S
G
K
S
T
F
L
R
C
I
N
F
L
E
K
P
S
E
G
A
I
I
V
N
G
Q
N
I
N
L
V
R
D
KDGQLKVAD
K
N
Q
L
R
L
L
R
T
R
-
L
T
M
V
F
Q
--
H
F
N
L
W
S
H
M
T
V
L
E
N
V
M
E
A
-
P
I
Q
V
L
G
L
S
K
H
D
A
R
E
R
A
L
K
Y
L
A
K
V
G
I
D
-
E
-----
R
A
Q
G
K
Y
----
P
V
H
L
-------
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
A
M
E
P
D
V
L
L
F
D
E
P
T
S
A
L
D
P
E
---
L
V
G
E
V
L
R
I
M
Q
Q
L
-
A
E
E
G
K
T
M
V
V
V
T
H
E
M
G
-
F
A
R
-
H
V
-
S
S
H
V
I
F
L
H
Q
G
K
I
E
E
E
-----------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
59.11
39%
-19
- C1 -
-
4MKI
2
ECFA2_CALS4
A:
[7-207]
----
I
K
V
E
N
V
S
F
I
Y
N
E
G
T
P
Y
A
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
-
K
K
----------
V
S
L
K
D
I
R
-
K
Q
V
G
L
V
F
Q
YP
E
Y
Q
L
F
E
E
-
T
V
F
K
D
I
A
-
F
-
G
P
S
N
L
G
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
I
S
K
E
-----
L
A
D
-
K
S
----
P
F
E
L
-------
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
---
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
58.62
39%
-19
- C1 -
-
4MKI
2
ECFA2_CALS4
B:
[7-207]
----
I
K
V
E
N
V
S
F
I
Y
N
E
G
T
P
Y
A
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
L
I
Q
Q
L
N
G
L
L
K
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
-
K
K
----------
V
S
L
K
D
I
R
-
K
Q
V
G
L
V
F
Q
YP
E
Y
Q
L
F
E
E
-
T
V
F
K
D
I
A
-
F
-
G
P
S
N
L
G
L
S
E
E
E
V
K
E
R
V
Y
E
A
M
E
I
V
G
I
S
K
E
-----
L
A
D
-
K
S
----
P
F
E
L
-------
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
---
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
------------------------------------------------------------------------------------------------------------------------------------------------------------
104
PsiBlast_CBE
48.34
31%
-32
- C1 -
-
5L22
2
?
B:
[332-543]
----
I
E
L
S
N
V
V
V
V
---
P
P
E
G
K
T
P
V
L
R
N
I
N
M
R
I
L
P
G
E
F
V
A
I
I
G
P
S
G
S
G
K
S
S
L
V
R
T
I
L
G
I
W
L
P
V
H
G
T
V
E
I
D
G
A
D
L
K
Q
W
D
R
----------
D
Y
F
G
K
F
----
V
G
Y
L
P
Q
--
D
I
E
L
F
E
G
-
T
V
A
E
N
I
A
----------
R
F
G
E
L
D
S
E
K
I
I
E
A
A
K
L
S
G
A
-
H
D
V
I
I
K
L
P
D
-
G
Y
----
D
T
Y
I
G
PGGITL
S
G
G
Q
R
Q
R
I
A
L
A
R
A
L
Y
G
N
P
R
I
V
I
L
D
E
P
D
S
N
L
D
E
Q
---
G
E
Q
A
L
Y
N
A
L
I
E
L
K
-
K
R
K
V
T
T
I
I
V
S
H
R
-
I
-
R
L
L
-
N
L
-
V
D
K
I
A
I
M
Q
D
G
----------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
46.49
31%
-27
- C1 -
-
5L22
2
?
A:
[332-543]
----
I
E
L
S
N
V
V
V
V
---
P
P
E
G
K
T
P
V
L
R
N
I
N
M
R
I
L
P
G
E
F
V
A
I
I
G
P
S
G
S
G
K
S
S
L
V
R
T
I
L
G
I
W
L
P
V
H
G
T
V
E
I
D
G
A
D
L
K
Q
W
D
R
----------
D
Y
F
G
K
F
----
V
G
Y
L
P
Q
--
D
I
E
L
F
E
G
-
T
V
A
E
N
I
A
----------
R
F
G
E
L
D
S
E
K
I
I
E
A
A
K
L
S
G
A
-
H
D
V
I
I
K
L
P
D
-
G
Y
----
D
T
Y
I
G
PGGITL
S
G
G
Q
R
Q
R
I
A
L
A
R
A
L
Y
G
N
P
R
I
V
I
L
D
E
P
D
S
N
L
D
E
Q
---
G
E
Q
A
L
Y
N
A
L
I
E
L
K
-
K
R
K
V
T
T
I
I
V
S
H
R
-
I
-
R
L
L
-
N
L
-
V
D
K
I
A
I
M
Q
D
G
----------------------------------------------------------------------------------------------------------------------------------------