@TOME V2.3
(Nov 2016)
Ref.
-
-
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 : Lmo1441: (2016-03-24 )
LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR
Atome Classification :
(21 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......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
LNE
R
I
FRENTR
P
V
Q
V
G
N
L
T
IGGSE
E
L
T
I
Q
S
MTTTKTHD
V
E
A
T
V
A
E
I
H
R
L
E
EAG
C
Q
I
V
R
V
ACP
D
E
R
A
A
N
A
L
S
A
I
K
KK-----I-----HI
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
DAGV
D
K
I
R
INPGNIG
R
-
R
D
R
V
E
---
K
V
V
N
A
A
KAKNI
P
I
R
I
G
VNA
G
S
L
E
K
K
I
I
Q
-------KYGYPTA-------------
D
G
M
V
E
S
A
L
-
A
H
I
K
I
LE-DL
D
F
Y
D
I
I
V
S
L
KAS
D
V
N
L
A
I
E
A
YDK
A
S
RAFNY
P
L
H
L
G
ITESGTQFAGG
I
K
S
A
A
G
L
G
A
I
L
S
LGIG
N
T
L
R
V
S
LSAD
P
V
E
----
E
I
K
V
A
R
E
V
L
K
SFGLSSN
A
A
M
L
I
SCPTC
G
R
I
E
I
D
L
I
R
-
I
A
N
E
V
E
N
Y
I
A
K
I
E
V
P
-----------
I
K
V
A
V
L
G
C
AVNGPGEAREA
D
I
G
I
----AGSNGE
G
L
L
FRH
G
K
I
I
R
KV
P
E
A
I
M
I
D
E
L
K
K
E
I
D
I
L
A
E
E
F
F
V
KKIDLESLR
24
PsiBlast_CBE
92.77
49%
-100
* C5 *
3NOY
2
ISPG_AQUAE
C:
[11-357]
----
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
-----------------
23
PsiBlast_CBE
91.82
49%
-100
- C5 -
3NOY
2
ISPG_AQUAE
D:
[11-357]
----
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
-----------------
22
PsiBlast_CBE
91.57
82%
-98
- C5 -
4MWA
5
ISPG_BACAN
F:
[10-266]
------
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
D
K
V
R
I
N
P
G
N
I
G
R
-
R
H
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
-------
K
Y
G
Y
P
T
A
-------------
D
G
M
V
E
S
A
L
-
H
H
I
K
I
L
E
-
D
L
D
F
H
D
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
L
A
S
N
A
A
-------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
91.50
49%
-101
- C5 -
3NOY
2
ISPG_AQUAE
B:
[11-357]
----
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
-----------------
52
Fugue
91.39
49%
-98
- C5 -
3NOY
2
ISPG_AQUAE
A:
[10-358]
---
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
N
----------------
30
HHSearch
91.08
49%
-98
- C5 -
3NOY
2
ISPG_AQUAE
A:
[10-358]
---
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
N
----------------
2
PsiBlast_PDB
90.79
49%
-97
- C5 -
3NOY
2
ISPG_AQUAE
A:
[11-357]
----
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
H
G
I
R
I
N
P
G
N
I
G
K
-
E
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
-------
K
Y
G
Y
P
S
A
-------------
E
A
L
A
E
S
A
L
-
R
W
S
E
K
F
E
-
K
W
G
F
T
N
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
L
P
K
-
V
V
K
E
V
Q
E
K
L
S
G
V
K
T
P
-----------
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
R
G
F
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
-----------------
21
PsiBlast_CBE
90.53
82%
-94
- C5 -
4MWA
2
ISPG_BACAN
H:
[10-260]
------
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
D
K
V
R
I
N
P
G
N
I
G
R
-
R
H
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
-------
K
Y
G
Y
P
T
A
-------------
D
G
M
V
E
S
A
L
-
H
H
I
K
I
L
E
-
D
L
D
F
H
D
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
-------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
88.15
81%
-93
- C5 -
4MWA
2
ISPG_BACAN
D:
[5-263]
-
N
E
M
T
H
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
D
K
V
R
I
N
---------
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
-------
K
Y
G
Y
P
T
A
-------------
D
G
M
V
E
S
A
L
-
H
H
I
K
I
L
E
-
D
L
D
F
H
D
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
L
A
S
----------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.77
36%
-91
- C5 -
4S23
5
ISPG_THETH
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
K
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
-------
E
L
M
D
R
N
A
S
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
K
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
Y
PGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
29
PsiBlast_CBE
83.47
36%
-98
- C5 -
2Y0F
2
ISPG_THET2
B:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
K
F
R
I
N
P
G
---------
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
-------
E
L
M
D
R
N
A
S
RP
E
P
K
S
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
K
E
PR
T
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
RYPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
3
PsiBlast_PDB
83.38
36%
-94
- C5 -
2Y0F
2
ISPG_THET2
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
K
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
-------
E
L
M
D
R
N
A
S
RP
E
P
K
S
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
K
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
RYPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
9
PsiBlast_PDB
83.24
36%
-97
- C5 -
4S3E
5
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
11
PsiBlast_PDB
83.06
36%
-96
- C5 -
4S3A
4
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
26
PsiBlast_CBE
83.05
36%
-86
- C5 -
4S23
5
ISPG_THETH
B:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
LLAEG
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
KYP
K
M
A
E
A
L
D
K
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
HFA
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
-------
E
L
M
D
R
N
A
SRPEPKSAHEVVL
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
K
E
PRTK
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
EWRARYPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
SLPG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
6
PsiBlast_PDB
82.96
36%
-98
- C5 -
4S39
5
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
5
PsiBlast_PDB
82.94
36%
-99
- C5 -
4S38
8
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
8
PsiBlast_PDB
82.72
36%
-98
- C5 -
4S3D
2
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
12
PsiBlast_PDB
82.70
36%
-97
- C5 -
4S3C
3
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
10
PsiBlast_PDB
82.64
36%
-98
- C5 -
4S3F
1
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
K
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
L
A
E
E
V
S
R
R
L
-
K
E
R
L
P
E
W
R
A
R
YPGVEE
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
E
P
K
A
P
V
Y
A
D
G
K
L
L
----------------------------------
7
PsiBlast_PDB
82.61
36%
-98
- C5 -
4S3B
2
ISPG_THET8
A:
[4-378]
-----
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
R
P
E
P
K
S
A
H
E
V
V
L
-------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
E
D
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----------------------------------