@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 : bsu32110: (2016-07-23 )
MREDTKVYDITIIGGGPVGLFTAFYGGMRQASVKIIESLPQLGGQLSALYPEKYIYDVAGFPKIRAQELINNLKEQMAKFDQTICLEQAVESVEKQADGVFKLVTNEETHYSKTVIITAGNGAFKPRKLELENAEQYEGKNLHYFVDDLQKFAGRRVAILGGGDSAVDWALMLEPIAKEVSIIHRRDKFRAHEHSVENLHASKVNVLTPFVPAELIGEDKIEQLVLEEVKGDRKEILEIDDLIVNYGFVSSLGPIKNWGLDIEKNSIVVKSTMETNIEGFFAAGDICTYEGKVNLIASGFGEAPTAVNNAKAYMDPKARVQPLHSTSLFENK
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRED
T
K
V
Y
D
I
T
I
IGGG
P
V
G
L
F
T
A
F
YGG
M
R
Q
A
S
V
K
I
I
E
-
S
L
P
Q
LG
G
Q
L
S
A
------LYP--E
K
Y
I
YDVAGFP--------
K
-
I
R
A
Q
E
L
I
N
N
L
K
E
Q
M
A
K
F
D
Q
T
I
C
L
E
Q
A
V
E
S
V
E
-
K
--QAD
G
---
V
F
K
L
V
T-N-EETHY-
S
-
K
T
V
I
I
TAGNGAFKP
R
K
-
L
-ELENAEQYEGKN
L
H
-
Y
F
-
V
-
D
-
D
L
Q
K
FAG
R
R
V
A
I
LGGGD
S
A
V
D
W
A
L
M
L
E
P
I
A
K
E
V
S
I
I
H
R
R
D
KF--------
R
A
H
----E-H
S
-
V
E
NLHAS----K--------------
V
N
V
LTPFV
P
A
E
----LI
G
-
E
-
D
-
K
-
I
E
Q
L
V
L
E
E
VK------G
D
R
K
E
I
L
E
I
D
D
L
I
V
N
Y
G
F
VSSLGPIKNWGLDI-E-KN
S
-
I
V
V
K
STM-----ETNI
E
G
F
F
AAG
D
I
C
TYEG
K
V
N
L
I
ASGFGEAPTAVNN
A
K
AYMDPKA
R
V
QPLHSTSLFENK
1
PsiBlast_PDB
91.73
100%
-118
- C2 -
3LZW
3
FENR2_BACSU
A:
[1-329]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
R
E
D
T
K
V
Y
D
I
T
I
I
G
G
G
P
V
G
L
F
T
A
F
Y
G
G
M
R
Q
A
S
V
K
I
I
E
-
S
L
P
Q
L
G
G
Q
L
S
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
I
R
A
Q
E
L
I
N
N
L
K
E
Q
M
A
K
F
D
Q
T
I
C
L
E
Q
A
V
E
S
V
E
-
K
--
Q
A
D
G
---
V
F
K
L
V
T
-
N
-
E
E
T
H
Y
-
S
-
K
T
V
I
I
T
A
G
N
G
A
F
K
P
R
K
-
L
-
E
L
E
N
A
E
Q
Y
E
G
K
N
L
H
-
Y
F
-
V
-
D
-
D
L
Q
K
F
A
G
R
R
V
A
I
L
G
G
G
D
S
A
V
D
W
A
L
M
L
E
P
I
A
K
E
V
S
I
I
H
R
R
D
K
F
--------
R
A
H
----
E
-
H
S
-
V
E
N
L
H
A
S
----
K
--------------
V
N
V
L
T
P
F
V
P
A
E
----
L
I
G
-
E
-
D
-
K
-
I
E
Q
L
V
L
E
E
V
K
------
G
D
R
K
E
I
L
E
I
D
D
L
I
V
N
Y
G
F
V
S
S
L
G
P
I
K
N
W
G
L
D
I
-
E
-
K
N
S
-
I
V
V
K
S
T
M
-----
E
T
N
I
E
G
F
F
A
A
G
D
I
C
T
Y
E
G
K
V
N
L
I
A
S
G
F
G
E
A
P
T
A
V
N
N
A
K
A
Y
M
D
P
K
A
R
V
Q
P
L
H
S
T
S
L
F
---
68
HHSearch
91.69
100%
-118
- C2 -
3LZW
3
FENR2_BACSU
A:
[3-329]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
D
T
K
V
Y
D
I
T
I
I
G
G
G
P
V
G
L
F
T
A
F
Y
G
G
M
R
Q
A
S
V
K
I
I
E
-
S
L
P
Q
L
G
G
Q
L
S
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
I
R
A
Q
E
L
I
N
N
L
K
E
Q
M
A
K
F
D
Q
T
I
C
L
E
Q
A
V
E
S
V
E
-
K
--
Q
A
D
G
---
V
F
K
L
V
T
-
N
-
E
E
T
H
Y
-
S
-
K
T
V
I
I
T
A
G
N
G
A
F
K
P
R
K
-
L
-
E
L
E
N
A
E
Q
Y
E
G
K
N
L
H
-
Y
F
-
V
-
D
-
D
L
Q
K
F
A
G
R
R
V
A
I
L
G
G
G
D
S
A
V
D
W
A
L
M
L
E
P
I
A
K
E
V
S
I
I
H
R
R
D
K
F
--------
R
A
H
----
E
-
H
S
-
V
E
N
L
H
A
S
----
K
--------------
V
N
V
L
T
P
F
V
P
A
E
----
L
I
G
-
E
-
D
-
K
-
I
E
Q
L
V
L
E
E
V
K
------
G
D
R
K
E
I
L
E
I
D
D
L
I
V
N
Y
G
F
V
S
S
L
G
P
I
K
N
W
G
L
D
I
-
E
-
K
N
S
-
I
V
V
K
S
T
M
-----
E
T
N
I
E
G
F
F
A
A
G
D
I
C
T
Y
E
G
K
V
N
L
I
A
S
G
F
G
E
A
P
T
A
V
N
N
A
K
A
Y
M
D
P
K
A
R
V
Q
P
L
H
S
T
S
L
F
---
2
PsiBlast_PDB
90.48
100%
-116
- C2 -
3LZX
4
FENR2_BACSU
A:
[1-329]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
R
E
D
T
K
V
Y
D
I
T
I
I
G
G
G
P
V
G
L
F
T
A
F
Y
G
G
M
R
Q
A
S
V
K
I
I
E
-
S
L
P
Q
L
G
G
Q
L
S
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
I
R
A
Q
E
L
I
N
N
L
K
E
Q
M
A
K
F
D
Q
T
I
C
L
E
Q
A
V
E
S
V
E
-
K
--
Q
A
D
G
---
V
F
K
L
V
T
-
N
-
E
E
T
H
Y
-
S
-
K
T
V
I
I
T
A
G
N
G
A
F
K
P
R
K
-
L
-
E
L
E
N
A
E
Q
Y
E
G
K
N
L
H
-
Y
F
-
V
-
D
-
D
L
Q
K
F
A
G
R
R
V
A
I
L
G
G
G
D
S
A
V
D
W
A
L
M
L
E
P
I
A
K
E
V
S
I
I
H
R
R
D
K
F
--------
R
A
H
----
E
-
H
S
-
V
E
N
L
H
A
S
----
K
--------------
V
N
V
L
T
P
F
V
P
A
E
----
L
I
G
-
E
-
D
-
K
-
I
E
Q
L
V
L
E
E
V
K
------
G
D
R
K
E
I
L
E
I
D
D
L
I
V
N
Y
G
F
V
S
S
L
G
P
I
K
N
W
G
L
D
I
-
E
-
K
N
S
-
I
V
V
K
S
T
M
-----
E
T
N
I
E
G
F
F
A
A
G
D
I
C
T
Y
E
G
K
V
N
L
I
A
S
G
F
G
E
A
P
T
A
V
N
N
A
K
A
Y
M
D
P
K
A
R
V
Q
P
L
H
S
T
S
L
F
---
21
PsiBlast_CBE
90.36
100%
-115
- C2 -
3LZX
4
FENR2_BACSU
B:
[1-329]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
R
E
D
T
K
V
Y
D
I
T
I
I
G
G
G
P
V
G
L
F
T
A
F
Y
G
G
M
R
Q
A
S
V
K
I
I
E
-
S
L
P
Q
L
G
G
Q
L
S
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
I
R
A
Q
E
L
I
N
N
L
K
E
Q
M
A
K
F
D
Q
T
I
C
L
E
Q
A
V
E
S
V
E
-
K
--
Q
A
D
G
---
V
F
K
L
V
T
-
N
-
E
E
T
H
Y
-
S
-
K
T
V
I
I
T
A
G
N
G
A
F
K
P
R
K
-
L
-
E
L
E
N
A
E
Q
Y
E
G
K
N
L
H
-
Y
F
-
V
-
D
-
D
L
Q
K
F
A
G
R
R
V
A
I
L
G
G
G
D
S
A
V
D
W
A
L
M
L
E
P
I
A
K
E
V
S
I
I
H
R
R
D
K
F
--------
R
A
H
----
E
-
H
S
-
V
E
N
L
H
A
S
----
K
--------------
V
N
V
L
T
P
F
V
P
A
E
----
L
I
G
-
E
-
D
-
K
-
I
E
Q
L
V
L
E
E
V
K
------
G
D
R
K
E
I
L
E
I
D
D
L
I
V
N
Y
G
F
V
S
S
L
G
P
I
K
N
W
G
L
D
I
-
E
-
K
N
S
-
I
V
V
K
S
T
M
-----
E
T
N
I
E
G
F
F
A
A
G
D
I
C
T
Y
E
G
K
V
N
L
I
A
S
G
F
G
E
A
P
T
A
V
N
N
A
K
A
Y
M
D
P
K
A
R
V
Q
P
L
H
S
T
S
L
F
---
4
PsiBlast_PDB
66.26
41%
-28
- C2 -
3AB1
1
FENR_CHLTE
A:
[16-330]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
L
T
I
I
G
G
G
P
T
G
I
F
A
A
F
Q
C
G
M
N
N
I
S
C
R
I
I
E
-
S
M
P
Q
L
G
G
Q
L
A
A
------
L
Y
P
--
E
K
H
I
Y
D
V
A
G
F
P
--------
E
-
V
P
A
I
D
L
V
E
S
L
W
A
Q
A
E
R
Y
N
P
D
V
V
L
N
E
T
V
T
K
Y
T
-
K
--
L
D
D
G
---
T
F
E
T
R
T
-
N
-
T
G
N
V
Y
R
S
-
R
A
V
L
I
A
A
G
L
G
A
F
E
P
R
K
-
L
P
Q
L
G
N
I
D
H
L
T
G
S
S
V
Y
-
Y
A
-
V
-
K
-
S
V
E
D
F
K
G
K
R
V
V
I
V
G
G
G
D
S
A
L
D
W
T
V
G
L
I
K
N
A
A
S
V
T
L
V
H
R
G
H
E
F
--------
Q
G
H
G
K
T
-
A
-
H
E
-
V
E
R
A
R
A
N
G---
T
--------------
I
D
V
Y
L
E
T
E
V
A
S
----
I
E
E
-
S
-
N
-
G
-
V
L
T
R
V
H
L
R
S
S
------
D
G
S
K
W
T
V
E
A
D
R
L
L
I
L
I
G
F
K
S
N
L
G
P
L
A
R
W
D
L
E
L
-
Y
-
E
N
A
-
L
V
V
D
S
H
M
-----
K
T
S
V
D
G
L
Y
A
A
G
D
I
A
Y
Y
P
G
K
L
K
I
I
Q
T
G
L
S
E
A
T
M
A
V
R
H
S
L
S
Y
I
K
P
G
---------------
22
PsiBlast_CBE
64.51
41%
-18
- C2 -
3AB1
2
FENR_CHLTE
B:
[16-339]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
L
T
I
I
G
G
G
P
T
G
I
F
A
A
F
Q
C
G
M
N
N
I
S
C
R
I
I
E
-
S
M
P
Q
L
G
G
Q
L
A
A
------
L
Y
P
--
E
K
H
I
Y
D
V
A
G
F
P
--------
E
-
V
P
A
I
D
L
V
E
S
L
W
A
Q
A
E
R
Y
N
P
D
V
V
L
N
E
T
V
T
K
Y
T
-
K
--
L
D
D
G
---
T
F
E
T
R
T
-
N
-
T
G
N
V
Y
R
S
-
R
A
V
L
I
A
A
G
L
G
A
F
E
P
R
K
-
L
P
Q
L
G
N
I
D
H
L
T
G
S
S
V
Y
-
Y
A
-
V
-
K
-
S
V
E
D
F
K
G
K
R
V
V
I
V
G
G
G
D
S
A
L
D
W
T
V
G
L
I
K
N
A
A
S
V
T
L
V
H
R
G
H
E
F
--------
Q
G
H
GKT-
A
-
H
E
-
V
E
R
A
R
A
N
G---
T
--------------
I
D
V
Y
L
E
T
E
V
A
S
----
I
E
E
-
S
-
N
-
G
-
V
L
T
R
V
H
L
R
S
S
------
D
G
S
K
W
T
V
E
A
D
R
L
L
I
L
I
G
F
K
S
N
L
G
P
L
A
R
W
D
L
E
L
-
Y
-
E
N
A
-
L
V
V
D
S
H
M
-----
K
T
S
V
D
G
L
Y
A
A
G
D
I
A
Y
Y
P
G
K
L
K
I
I
Q
T
G
L
S
E
A
T
M
A
V
R
H
S
L
S
Y
I
K
P
G
E
K
I
R
N
V
F
S
S
------
69
HHSearch
64.48
39%
-34
- C2 -
3AB1
1
FENR_CHLTE
A:
[13-330]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
M
R
D
L
T
I
I
G
G
G
P
T
G
I
F
A
A
F
Q
C
G
M
N
N
I
S
C
R
I
I
E
-
S
M
P
Q
L
G
G
Q
L
A
A
------
L
Y
P
--
E
K
H
I
Y
D
V
A
G
F
P
--------
E
-
V
P
A
I
D
L
V
E
S
L
W
A
Q
A
E
R
Y
N
P
D
V
V
L
N
E
T
V
T
K
Y
T
-
K
--
L
D
D
G
---
T
F
E
T
R
T
-
N
T
G
N
V
Y
R
-
S
-
R
A
V
L
I
A
A
G
L
G
A
F
E
P
R
K
L
P
-
Q
L
G
N
I
D
H
L
T
G
S
S
V
Y
-
Y
A
-
V
-
K
-
S
V
E
D
F
K
G
K
R
V
V
I
V
G
G
G
D
S
A
L
D
W
T
V
G
L
I
K
N
A
A
S
V
T
L
V
H
R
G
H
E
F
--------
Q
G
H
G
K
T
A
H
-
E
V
-
E
R
A
R
A
N
G
----
T
--------------
I
D
V
Y
L
E
T
E
V
A
S
----
I
E
E
-
S
-
N
G
V
-
L
T
R
V
H
L
R
S
-
S
------
D
G
S
K
W
T
V
E
A
D
R
L
L
I
L
I
G
F
K
S
N
L
G
P
L
A
R
W
D
L
E
L
-
Y
-
E
N
A
-
L
V
V
D
S
H
M
-----
K
T
S
V
D
G
L
Y
A
A
G
D
I
A
Y
Y
P
G
K
L
K
I
I
Q
T
G
L
S
E
A
T
M
A
V
R
H
S
L
S
Y
I
K
P
G
---------------
3
PsiBlast_PDB
64.14
45%
-29
- C2 -
2ZBW
2
FENR_THET8
A:
[7-328]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
L
I
V
G
A
G
P
T
G
L
F
A
G
F
Y
V
G
M
R
G
L
S
F
R
F
V
D
-
P
L
P
E
P
G
G
Q
L
T
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
V
Y
A
K
D
L
V
K
G
L
V
E
Q
V
A
P
F
N
P
V
Y
S
L
G
E
R
A
E
T
L
E
-
R
--
E
G
D
----
L
F
K
V
T
T
-
S
-
Q
G
N
A
Y
-
T
A
K
A
V
I
I
A
A
G
V
G
A
F
E
P
R
R
-
I
-
G
A
P
G
E
R
E
F
E
G
R
G
V
Y
-
Y
A
-
V
-
K
-
S
K
A
E
F
Q
G
K
R
V
L
I
V
G
G
G
D
S
A
V
D
W
A
L
N
L
L
D
T
A
R
R
I
T
L
I
H
R
R
P
Q
F
--------
R
A
H
----
E
-
A
S
-
V
K
E
L
M
K
A
H
E
E
G
R
--------------
L
E
V
L
T
P
Y
E
L
R
R
----
V
E
G
-
D
-
E
-
R
-
V
R
W
A
V
V
F
H
N
Q
------
T
Q
E
E
L
A
L
E
V
D
A
V
L
I
L
A
G
Y
I
T
K
L
G
P
L
A
N
W
G
L
A
L
-
E
-
K
N
K
-
I
K
V
D
T
T
M
-----
A
T
S
I
P
G
V
Y
A
C
G
D
I
V
T
Y
P
G
K
L
P
L
I
V
L
G
F
G
E
A
A
I
A
A
N
H
A
A
A
Y
A
N
P
A
L
K
V
N
P
G
H
S
S
------
70
HHSearch
63.11
44%
-30
- C2 -
2ZBW
2
FENR_THET8
A:
[3-327]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
D
H
T
D
V
L
I
V
G
A
G
P
T
G
L
F
A
G
F
Y
V
G
M
R
G
L
S
F
R
F
V
D
-
P
L
P
E
P
G
G
Q
L
T
A
------
L
Y
P
--
E
K
Y
I
Y
D
V
A
G
F
P
--------
K
-
V
Y
A
K
D
L
V
K
G
L
V
E
Q
V
A
P
F
N
P
V
Y
S
L
G
E
R
A
E
T
L
E
-
R
--
E
G
-
D
---
L
F
K
V
T
T
-
S
Q
G
N
A
Y
T
-
A
-
K
A
V
I
I
A
A
G
V
G
A
F
E
P
R
R
-
I
-
G
A
P
G
E
R
E
F
E
G
R
G
V
Y
-
Y
A
-
V
-
K
-
S
K
A
E
F
Q
G
K
R
V
L
I
V
G
G
G
D
S
A
V
D
W
A
L
N
L
L
D
T
A
R
R
I
T
L
I
H
R
R
P
Q
F
--------
R
A
H
E
A
S
V
K
-
E
L
-
M
K
A
H
E
E
G
----
R
--------------
L
E
V
L
T
P
Y
E
L
R
R
----
V
E
G
-
D
-
E
-
R
V
R
W
A
V
V
F
H
N
Q
-------
T
Q
E
E
L
A
L
E
V
D
A
V
L
I
L
A
G
Y
I
T
K
L
G
P
L
A
N
W
G
L
A
L
-
E
-
K
N
K
-
I
K
V
D
T
T
M
-----
A
T
S
I
P
G
V
Y
A
C
G
D
I
V
T
Y
P
G
K
L
P
L
I
V
L
G
F
G
E
A
A
I
A
A
N
H
A
A
A
Y
A
N
P
A
L
K
V
N
P
G
H
S
-------
7
PsiBlast_PDB
52.76
27%
-40
- C2 -
3F8P
4
?
A:
[16-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
V
I
I
V
G
L
G
P
A
A
Y
G
A
A
L
Y
S
A
R
Y
M
L
K
T
L
V
I
G
-
E
T
P
--
G
G
Q
L
T
E
-----------
A
G
I
V
D
D
Y
L
G
L
I
--------
E
-
I
Q
A
S
D
M
I
K
V
F
N
K
H
I
E
K
Y
E
V
P
V
L
L
D
-
I
V
E
K
I
E
-
N
-----
E
---
F
V
V
K
T
K
-
R
-
K
G
E
F
K
-
A
-
D
S
V
I
L
G
I
G
---
V
K
R
R
K
-
L
-
G
V
P
G
E
Q
E
F
A
G
R
G
I
S
-
Y
C
S
V
-
C
-
D
A
P
L
F
K
N
R
V
V
A
V
I
G
G
G
D
S
A
L
E
G
A
E
I
L
S
S
Y
S
T
K
V
Y
L
I
H
R
R
D
T
F
--------
K
A
Q
----
P
-
I
Y
-
V
E
T
V
K
K
K
P---
N
--------------
V
E
F
V
L
N
S
V
V
K
E
----
I
K
G
-
D
-
K
-
V
-
V
K
Q
V
V
V
E
N
L
K
------
T
G
E
I
K
E
L
N
V
N
G
V
F
I
E
I
G
F
D
P
P
T
D
F
A
K
S
N
G
I
E
T
-
D
-
T
N
G
Y
I
K
V
D
E
W
M
-----
R
T
S
V
P
G
V
F
A
A
G
D
C
T
S
A
W
L
G
F
R
Q
V
I
T
A
V
A
Q
G
A
V
A
A
T
S
A
Y
R
Y
V
T
E
K
---------------
78
HHSearch
52.61
27%
-23
- C2 -
4GCM
6
TRXB_STAAW
A:
[4-308]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
I
D
F
D
I
A
I
I
G
A
G
P
A
G
M
T
A
A
V
Y
A
S
R
A
N
L
K
T
V
M
I
E
-
R
G
I
-
P
G
G
Q
M
A
N
------
T
E
E
-----
V
E
N
F
P
G
F
E
--------
M
-
I
T
G
P
D
L
S
T
K
M
F
E
H
A
K
K
F
G
A
V
Y
Q
Y
G
-
D
I
K
S
V
E
-
D
--
K
--
G
---
E
Y
K
V
I
N
-
F
G
N
K
E
L
T
-
A
-
K
A
V
I
I
A
T
G
A
E
---
Y
K
K
-
I
-
G
V
P
G
E
Q
E
L
G
G
R
G
V
S
Y
C
A
-
V
-
C
-
D
G
A
F
F
K
N
K
R
L
F
V
I
G
G
G
D
S
A
V
E
E
G
T
F
L
T
K
F
A
D
K
V
T
I
V
H
R
R
D
E
L
--------
R
A
Q
----
R
-
I
L
Q
D
R
A
F
K
N
D
----
K
--------------
I
D
F
I
W
S
H
T
L
K
S
----
I
N
E
-
K
D
G
-
K
-
V
G
S
V
T
L
T
S
T
K
------
D
G
S
E
E
T
H
E
A
D
G
V
F
I
Y
I
G
M
K
P
L
T
A
P
F
K
D
L
G
I
T
N
-
D
-
V
G
Y
-
I
V
T
K
D
D
M
-----
T
T
S
V
P
G
I
F
A
A
G
D
V
R
D
K
-
G
-
L
R
Q
I
V
T
A
T
G
D
G
S
I
A
A
Q
S
A
A
E
Y
I
E
H
L
---------------
72
HHSearch
52.56
26%
-33
- C2 -
3F8D
3
?
A:
[10-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
K
P
G
E
K
F
D
V
I
I
V
G
L
G
P
A
A
Y
G
A
A
L
Y
S
A
R
Y
M
L
K
T
L
V
I
G
-
E
T
P
--
G
G
Q
L
T
E
------
A
G
I
--
V
---
D
D
Y
L
G
L
I
--------
E
-
I
Q
A
S
D
M
I
K
V
F
N
K
H
I
E
K
Y
E
V
P
V
L
L
D
-
I
V
E
K
I
E
-
N
--
R
------
E
F
V
V
K
T
-
K
R
K
G
E
F
K
-
A
-
D
S
V
I
L
G
I
G
V
K
---
R
R
K
-
L
-
G
V
P
G
E
Q
E
F
A
G
R
G
I
S
Y
C
S
-
V
-
A
-
D
A
P
L
F
K
N
R
V
V
A
V
I
G
G
G
D
S
A
L
E
G
A
E
I
L
S
S
Y
S
T
K
V
Y
L
I
H
R
R
D
T
F
--------
K
A
Q
----
P
I
Y
V
-
E
T
V
K
K
K
P
----
N
--------------
V
E
F
V
L
N
S
V
V
K
E
----
I
K
G
-
D
-
K
-
V
-
V
K
Q
V
V
V
E
N
L
K
------
T
G
E
I
K
E
L
N
V
N
G
V
F
I
E
I
G
F
D
P
P
T
D
F
A
K
S
N
G
I
E
T
-
D
T
N
G
Y
-
I
K
V
D
E
W
M
-----
R
T
S
V
P
G
V
F
A
A
G
D
C
T
S
A
W
L
G
F
R
Q
V
I
T
A
V
A
Q
G
A
V
A
A
T
S
A
Y
R
Y
V
T
E
K
---------------
6
PsiBlast_PDB
52.40
27%
-36
- C2 -
3F8D
3
?
A:
[16-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
V
I
I
V
G
L
G
P
A
A
Y
G
A
A
L
Y
S
A
R
Y
M
L
K
T
L
V
I
G
-
E
T
P
--
G
G
Q
L
T
E
-----------
A
G
I
V
D
D
Y
L
G
L
I
--------
E
-
I
Q
A
S
D
M
I
K
V
F
N
K
H
I
E
K
Y
E
V
P
V
L
L
D
-
I
V
E
K
I
E
-
N
--
R
--
E
---
F
V
V
K
T
K
-
R
-
K
G
E
F
K
-
A
-
D
S
V
I
L
G
I
G
---
V
K
R
R
K
-
L
-
G
V
P
G
E
Q
E
F
A
G
R
G
I
S
-
Y
C
S
V
-
A
-
D
A
P
L
F
K
N
R
V
V
A
V
I
G
G
G
D
S
A
L
E
G
A
E
I
L
S
S
Y
S
T
K
V
Y
L
I
H
R
R
D
T
F
--------
K
A
Q
----
P
-
I
Y
-
V
E
T
V
K
K
K
P---
N
--------------
V
E
F
V
L
N
S
V
V
K
E
----
I
K
G
-
D
-
K
-
V
-
V
K
Q
V
V
V
E
N
L
K
------
T
G
E
I
K
E
L
N
V
N
G
V
F
I
E
I
G
F
D
P
P
T
D
F
A
K
S
N
G
I
E
T
-
D
-
T
N
G
Y
I
K
V
D
E
W
M
-----
R
T
S
V
P
G
V
F
A
A
G
D
C
T
S
A
W
L
G
F
R
Q
V
I
T
A
V
A
Q
G
A
V
A
A
T
S
A
Y
R
Y
V
T
E
K
---------------
8
PsiBlast_PDB
52.03
27%
-36
- C2 -
3F8R
3
?
A:
[16-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
V
I
I
V
G
L
G
P
A
A
Y
G
A
A
L
Y
S
A
R
Y
M
L
K
T
L
V
I
G
-
E
T
P
--
G
G
Q
L
T
E
-----------
A
G
I
V
D
D
Y
L
G
L
I
--------
E
-
I
Q
A
S
D
M
I
K
V
F
N
K
H
I
E
K
Y
E
V
P
V
L
L
D
-
I
V
E
K
I
E
-
N
--
R
--
E
---
F
V
V
K
T
K
-
R
-
K
G
E
F
K
-
A
-
D
S
V
I
L
G
I
G
---
V
K
R
R
K
-
L
-
G
V
P
G
E
Q
E
F
A
G
R
G
I
S
-
Y
C
S
V
-
C
-
D
A
P
L
F
K
N
R
V
V
A
V
I
G
G
G
D
S
A
L
E
G
A
E
I
L
S
S
Y
S
T
K
V
Y
L
I
H
R
R
D
T
F
--------
K
A
Q
----
P
-
I
Y
-
V
E
T
V
K
K
K
P---
N
--------------
V
E
F
V
L
N
S
V
V
K
E
----
I
K
G
-
D
-
K
-
V
-
V
K
Q
V
V
V
E
N
L
K
------
T
G
E
I
K
E
L
N
V
N
G
V
F
I
E
I
G
F
D
P
P
T
D
F
A
K
S
N
G
I
E
T
-
D
-
T
N
G
Y
I
K
V
D
E
W
M
-----
R
T
S
V
P
G
V
F
A
A
G
D
C
T
S
A
W
L
G
F
R
Q
V
I
T
A
V
A
Q
G
A
V
A
A
T
S
A
Y
R
Y
V
T
E
K
---------------
13
PsiBlast_PDB
49.22
26%
28
- C2 -
3CTY
2
?
A:
[14-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
D
F
D
V
V
I
V
G
A
G
A
A
G
F
S
A
A
V
Y
A
A
R
S
G
F
S
V
A
I
L
D
---
K
A
V
A
G
G
L
T
A
------
E
A
P
LV
E
N
Y
L
----
G
F
K
--------
S
-
I
V
G
S
E
L
A
K
L
F
A
D
H
A
A
N
Y
A
K
---
I
R
E
G
V
E
V
R
S
I
K
--
K
T
Q
G
---
G
F
D
I
E
T
-
N
-
D
D
T
Y
H
-
A
-
K
Y
V
I
I
T
T
G
T
---
T
H
K
H
-
L
-
G
V
K
G
E
S
E
Y
F
G
K
G
T
S
-
Y
C
S
T
-
C
-
D
G
Y
L
F
K
G
K
R
V
V
T
I
G
G
G
N
S
G
A
I
A
A
I
S
M
S
E
Y
V
K
N
V
T
I
I
E
Y
M
P
K
Y
--------
M
C
E
----
N
-
A
Y
-
V
Q
E
I
K
K
R
----
N
--------------
I
P
Y
I
M
N
A
Q
V
T
E
----
I
V
G
-
D
G
K
-
K
-
V
T
G
V
K
Y
K
D
R
T
------
T
G
E
E
K
L
I
E
T
D
G
V
F
I
Y
V
G
L
I
P
Q
T
S
F
L
K
D
S
G
V
K
L
D
E
-
R
G
Y
-
I
V
V
D
S
R
Q
-----
R
T
S
V
P
G
V
Y
A
A
G
D
V
T
S
--
G
N
F
A
Q
I
A
S
A
V
G
D
G
C
K
A
--------------------------
20
PsiBlast_PDB
49.12
27%
18
- C2 -
1TRB
1
TRXB_ECOLI
A:
[3-314]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
H
S
K
L
L
I
L
G
S
G
P
A
G
Y
T
A
A
V
Y
A
A
R
A
N
L
Q
P
V
L
I
T
-
G
M
E
K
-
G
G
Q
L
T
T
------
T
T
E
-----
V
E
N
W
P
G
D
P
--------
N
D
L
T
G
P
L
L
M
E
R
M
H
E
H
A
T
K
F
E
T
E
I
I
F
D
H
-
I
N
K
V
D
-
L
--
Q
-
N
R
---
P
F
R
L
N
G
-
D
-
N
G
E
Y
T
-
C
-
D
A
L
I
I
A
T
G
A
S
A
---
R
Y
-
L
-
G
L
P
S
E
E
A
F
K
G
R
G
V
S
-
A
C
A
T
-
S
-
D
G
F
F
Y
R
N
Q
K
V
A
V
I
G
G
G
N
T
A
V
E
E
A
L
Y
L
S
N
I
A
S
E
V
H
L
I
H
R
R
D
G
F
--------
R
A
E
----
K
-
I
L
-
I
K
R
L
M
D
K
----
V
--------------
E
N
G
N
I
I
L
H
T
N
R
----
T
L
E
-
E
-
V
-
T
-
G
D
Q
M
G
V
T
G
V
R
L
R
D
T
QN
S
D
N
I
E
S
L
D
V
A
G
L
F
V
A
I
G
H
-
S
P
N
T
A
I
F
E
G
Q
L
E
L
-
E
-
N
G
Y
-
I
K
V
Q
S
G
I
HGNAT
Q
T
S
I
P
G
V
F
A
A
G
D
V
M
D
H
I
Y
R
Q
A
I
T
S
A
G
T
G
--
C
M
A
A
L
D
A
E
R
Y
L
D
-----------------
19
PsiBlast_PDB
49.08
27%
18
- C2 -
1TDF
2
TRXB_ECOLI
A:
[3-314]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
K
H
S
K
L
L
I
L
G
S
G
P
A
G
Y
T
A
A
V
Y
A
A
R
A
N
L
Q
P
V
L
I
T
-
G
M
E
K
-
G
G
Q
L
T
T
-----------
T
T
E
V
E
N
W
P
G
D
P
--------
N
D
L
T
G
P
L
L
M
E
R
M
H
E
H
A
T
K
F
E
T
E
I
I
F
D
H
-
I
N
K
V
D
-
L
--
Q
-
N
R
---
P
F
R
L
N
G
-
D
-
N
G
E
Y
T
-
C
-
D
A
L
I
I
A
T
G
A
S
A
---
R
Y
-
L
-
G
L
P
S
E
E
A
F
K
G
R
G
V
S
-
A
C
A
T
-
S
-
D
G
F
F
Y
R
N
Q
K
V
A
V
I
G
G
G
N
T
A
V
E
E
A
L
Y
L
S
N
I
A
S
E
V
H
L
I
H
R
R
D
G
F
--------
R
A
E
----
K
-
I
L
-
I
K
R
L
M
D
K
----
V
--------------
E
N
G
N
I
I
L
H
T
N
R
----
T
L
E
-
E
-
V
-
T
-
G
D
Q
M
G
V
T
G
V
R
L
R
D
T
QN
S
D
N
I
E
S
L
D
V
A
G
L
F
V
A
I
G
H
-
S
P
N
T
A
I
F
E
G
Q
L
E
L
-
E
-
N
G
Y
-
I
K
V
Q
S
G
I
HGNAT
Q
T
S
I
P
G
V
F
A
A
G
D
V
M
D
H
I
Y
R
Q
A
I
T
S
A
G
T
G
--
C
M
A
A
L
D
A
E
R
Y
L
D
-----------------
5
PsiBlast_PDB
48.42
30%
22
- C2 -
2Q7V
2
?
A:
[9-288]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
D
V
V
I
I
G
G
G
P
A
G
L
T
A
A
I
Y
T
G
R
A
Q
L
S
T
L
I
L
E
K
G
M
P
--
G
G
Q
I
A
--------
W
S
--
E
E
-
V
E
N
F
P
G
F
P
--------
E
P
I
A
G
M
E
L
A
Q
R
M
H
Q
Q
A
E
K
F
G
A
K
V
E
M
D
E
-
V
Q
G
V
Q
-
H
--
D
A
T
S
HPY
P
F
T
V
R
G
-
Y
-
N
G
E
Y
R
-
A
-
K
A
V
I
L
A
T
G
A
---
D
P
R
K
-
L
-
G
I
P
G
E
D
N
F
W
G
K
G
V
S
-
T
C
-
A
-
T
C
D
G
F
F
Y
K
G
K
K
V
V
V
I
G
G
G
D
A
A
V
E
E
G
M
F
L
T
K
F
A
D
E
V
T
V
I
H
R
R
D
T
L
--------
R
A
N
----
K
-
V
A
-
Q
A
R
A
F
A
N
P---
K
--------------
M
K
F
I
W
D
T
A
V
E
E
----
I
Q
G
-
A
-
D
-
S
-
V
S
G
V
K
L
R
N
L
K
------
T
G
E
V
S
E
L
A
T
D
G
V
F
I
F
I
G
H
V
P
N
T
A
F
V
K
D
T
V
S
L
R
-
D
-
D
G
Y
-
V
D
V
R
D
E
I
-----
Y
T
N
I
P
M
L
F
A
A
G
D
V
S
D
Y
-------------------------------------------
58
Fugue
47.68
23%
19
- C2 -
1HYU
4
AHPF_SALTY
A:
[1-521]
MLD
T
N
M
K
T
Q
L
R
A
Y
L
E
KLT
K
P
V
E
L
I
A
T
L
D
DS
A
K
S
A
E
I
K
E
L
L
A
E
I
A
E
L
S
DK
V
T
F
K
E
D
NTLPVRKP
S
F
L
I
T
N
PGSQ
Q
G
P
R
F
A
G
SPLGHE
F
T
S
L
V
L
A
L
L
W
T
G
G
H
P
S
KEA
Q
S
L
L
E
Q
I
R
D
I
D
G
D
F
E
F
E
T
Y
Y
S
LSCHN
C
P
D
V
V
Q
A
L
N
L
M
A
V
L
NPR
I
K
H
T
A
I
D
GGTF
Q
N
E
I
T
E
R
NVMGVP
A
V
F
V
NGKEFGQGRMT
L
T
E
I
V
A
K
V
D
TGAEK
R
A
A
E
A
L
N
K
R
D
A
Y
D
V
L
I
V
G
S
G
P
A
G
A
A
A
A
V
Y
S
A
R
K
G
I
R
T
G
L
M
G
-
E
R
F
--
G
G
Q
V
L
---------
D
--
T
V
D
I
E
N
Y
I
S
V
P
--------
K
-
T
E
G
Q
K
L
A
G
A
L
K
A
H
V
S
D
Y
D
V
D
V
I
D
S
Q
S
A
S
K
L
V
-
P
AA
T
E
G
G
---
L
H
Q
I
E
T
A
S
-
G
A
V
L
K
-
A
-
R
S
I
I
I
A
T
G
---
A
K
W
R
N
-
M
-
N
V
P
G
E
D
Q
Y
R
T
K
G
V
T
-
Y
C
-
P
-
H
C
D
G
P
L
F
K
G
K
R
V
A
V
I
G
G
G
N
S
G
V
E
A
A
I
D
L
A
G
I
V
E
H
V
T
L
L
E
F
A
P
E
M
--------
K
A
D
----
Q
-
V
L
-
Q
D
K
V
R
S
L
K---
N
--------------
V
D
I
I
L
N
A
Q
T
T
E
----
V
K
G
D
G
-
S
-
K
-
V
V
G
L
E
Y
R
D
R
V
------
S
G
D
I
H
S
V
A
L
A
G
I
F
V
Q
I
G
L
L
P
N
T
H
W
L
E
G
A
L
E
R
N
-
R
-
M
G
E
-
I
I
I
D
A
K
C
-----
E
T
S
V
K
G
V
F
A
A
G
D
C
T
T
V
P
Y
K
Q
--
I
I
I
A
T
G
E
G
A
K
A
S
L
S
A
F
D
Y
L
I
R
T
K
I
A
------------
65
Fugue
47.61
19%
0
- C2 -
4USR
2
?
A:
[1-357]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
P
A
M
P
P
I
L
D
V
I
V
I
G
G
G
Q
A
A
L
T
T
A
Y
F
L
R
R
T
S
L
S
Y
L
L
L
D
-
E
Q
P
G
P
G
G
A
W
L
H
AWDSLR
L
F
S
--
P
A
A
W
S
S
I
A
G
W
P
MPSPTEPG
N
-
P
T
R
N
D
V
I
D
Y
L
R
R
Y
E
D
R
Y
Q
F
P
I
Q
R
P
V
R
V
D
T
V
T
-
R
--
L
-
D
D
---
L
W
R
V
Q
A
-
G
-
D
Q
Q
W
L
-
A
-
R
A
V
I
S
A
T
G
T
W
S
-
K
P
F
I
-
P
-
P
Y
E
G
R
E
L
F
Q
G
A
Q
I
H
-
S
A
-
H
Y
R
-
T
P
A
P
F
A
G
K
R
V
M
V
V
G
G
G
N
S
G
A
Q
V
L
A
E
L
S
S
V
S
E
T
L
W
I
T
Q
E
P
P
A
F
L
P
DEVDG
R
V
L
F
----
E
-
R
A
-
T
A
R
W
K
A
Q
----
Q
EGRSIDEPAGGFGD
I
V
M
V
P
P
V
R
E
A
R
E
R
GV
L
V
A
-
E
-
R
-
P
-
F
A
R
F
T
E
T
G
V
E
------
W
A
D
G
R
R
E
N
L
D
A
V
I
W
C
S
G
F
R
P
A
L
D
H
L
R
E
L
G
V
V
E
-
A
-
D
G
K
-
V
Q
V
E
D
T
R
-----
V
V
K
Q
P
N
L
W
L
V
G
----
Y
G
D
W
T
G
M
A
S
A
T
L
I
G
V
T
R
T
A
R
S
T
A
D
Q
V
V
Q
A
L
T
A
T
P
----------