@TOME V2.3
(Mar 2018)
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 : spr1141: (2018-01-06 )
MKRCDTVATATKKKKSTVKKNLVIVESPAKAKTIEKYLGRNYKVLASVGHIRDLKKSSMSVDIENNYEPQYINIRGKGPLINDLKKEAKKANKVFLASDPDREGEAISWHLAHILNLDENDANRVVFNEITKDAVKNAFKEPRKIDMDLVDAQQARRILDRLVGYSISPILWKKVKKGLSAGRVQSIALKLIIDRENEINAFQPEEYWTVDAVFKKGTKQFHASFYGVDGKKMKLTSNNEVKEVLSRLTSKDFSVDQVDKKERKRNAPLPYTTSSMQMDAANKINFRTRKTMMVAQQLYEGINIGSGVQGLITYMRTDSTRISPVAQNEAASFITDRFGSKYSKHGSKVKNASGAQDAHEAIRPSSVFNTPESIAKYLDKDQLKLYTLIWNRFVASQMTAAVFDTMAVKLSQKGVQFAANGSQVKFDGYLAIYNDSDKNKMLPDMVVGDVVKQVNSKPEQHFTQPPARYSEATLIKTLEENGVGRPSTYAPTIETIQKRYYVRLAAKRFEPTELGEIVNKLIVEYFPDIVNVTFTAEMEGKLDDVEVGKEQWRRVIDAFYKPFSKEVAKAEEEMEKIQIKDEPAGFDCEVCGSPMVIKLGRFGKFYACSNFPDCHHTQAIVKEIGVECPSCHQGQIIERKTKRNRLFYGCNRYPECEFTSWDKPVGRDCPKCGNFLMEKKVRGGGKQVVCSKGDYEEEKIK
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---.----..--.....420..--.--....---430---....----------.----------..440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570...---.-----.----.-.580.---......590.......600.......610-----.......620....------------------...630...---....640.......650.....----------..660.......670.......680.......690.......700
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MKRC
D
T
V
A
T
A
T
K
K
K
K
STVKK
N
L
V
I
V
ESPAK
A
K
T
I
E
K
Y
LGRN
Y
K
V
L
A
SV
G
H
I
R
D
L
----KKSS--------------
M
S
V
D
------------IENNYEP
Q
Y
I
N
I
RGKGP
L
I
N
D
L
K
K
E
A
K
KA
N
K
V
F
L
ASDPDREG
E
A
I
S
W
H
L
A
H
I
LNLDENDANR
V
V
F
N
E
I
T
K
D
A
V
K
N
A
FKEPRKI
D
M
D
LV
D
A
Q
Q
A
R
R
I
L
D
R
L
VGYSI
S
P
I
L
W
K
K
V
K
KGLSAG
R
V
Q
S
I
A
L
K
L
I
IDRENEINAFQPEE
Y
W
T
V
D
A
V
F
K
KG
T
-------
K
-
Q
-------
F
--
H
A
-
S
F
YGVDG------------------
K
K
M
----------
K
LTSN
N
E
V
--------
K
E
V
L
S
R
L
TSKDFS
V
D
Q
V
D
K
K
E
RKRNA-----PLPYTTSSMQMDAANKINF
R
T
R
K
T
M
M
V
A
Q
Q
L
YEGINIGS
G
V
Q
G
L
I
T
Y
MRTDSTRISPVA
Q
N
E
A
A
S
F
I
T
D
R
FG
S
K
Y
-----
S
KH-GSKVKN-ASG
A
Q
D
A
H
E
AIR
P
S
S-VFN-
T
P
E
S
I
A
---
K
Y
L
D
K
---
D
Q
L
K
L
Y
T
L
I
W
N
R
F
V
A
S
Q
M
T
A
A
V
F
D
T
M
A
V
K
L
S----Q----KG--
V
Q
F
AANG
S
Q
V
--
K
--
F
D
G
Y
---
L
A
I
---YNDS----------D----------KNKM
L
P
D
M
V
V
G
D
V
V
K
Q
VNSK
P
E
Q
HFTQPPARY
S
E
A
T
L
I
K
T
L
E
ENGVGRPSTYA
P
T
I
E
T
I
Q
K
R
Y
Y
V
R
L
A
A
KRF
E
P
T
E
L
G
E
I
V
N
K
L
I
V
E
YFPD
I
V
N
V
T
F
T
AEMEGKLD
D
V
EV
G
K
E
Q
W
R
R
V
I
D
A
F
Y
K
P
F
S
K
E
V
A
K
A
E
E
E
M
E
---
K
-----
I
----Q-IKDEP---AGFDCEVCGS
P
M
V
I
K
LGRF
G
K
F
Y
A
CSNFP-----D
C
H
H
T
Q
A
I
V
K
E
IGV------------------ECPSCHQG
Q
---
I
I
E
R
KTKRN
R
L
F
YGCNRYPECE----------FTSWDKPVGRDC
P
K
C
G
N
F
L
M
E
K
K
VRGGG
K
Q
V
V
CSKGD
Y
E
E
EKIK
1
PsiBlast_PDB
76.33
38%
38
- C3 -
-
4RUL
1
TOP1_ECOLI
A:
[4-749]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
PT------K
D
E
R
G
A
L
V
N
R
----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
S
-
K
---
Q
E
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
TKV
M
P
A
---
L
R
K
G
----------
D
----------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
-----
G
----
G
-
M
R
P
N
Q
M
V
L
T
S
I
D
C
P
T
C
G
R
K
M
G
I
R
T
A
S
T
G
V
F
L
G
C
S
G
Y
A
LPPKE
R
C
K
T
T
I
N
L
V
P
E
N
E
V
LNVLEGED
A
E
T
N
A
L
R
A
KR
R
C
P
K
C
G
T
A
M
D
S
Y
L
I
D
P
K
R
K
----
L
H
V
C
G
N
N
P
T
C
D
G
Y
E
I
E
E
G
E
F
R
I
K
G
Y
D
G
P
I
-
V
E
C
E
K
C
G
S
-
E
M
H
L
K
M
G
R
F
G
K
Y
M
A
C
T
----------
33
HHSearch
73.71
42%
-19
- C3 -
-
2GAJ
-
TOP1_THEMA
A:
[7-601]
--------------------
K
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
G
N
E
Y
E
V
F
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--------------
F
G
V
D
------------
L
E
K
D
F
E
P
E
F
A
V
I
K
G
K
E
K
V
V
E
K
L
K
D
L
A
K
K
-
G
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
L
-
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
K
S
N
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
F
V
P
K
K
Y
H
R
I
T
V
N
F
D
G
L
T
-------
A
-
E
-------
I
-----
D
V
K
E
-----------------------
K
----------
K
F
F
D
A
E
T
L
--------
K
E
I
Q
S
I
---
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
-----
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
-----
V
G
---------------
A
H
E
A
I
R
P
T
N
-
V
F
M
-
T
P
E
E
A
G
---
K
Y
L
N
S
---
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
----
T
----
K
D
--
G
K
Y
R
F
K
G
T
V
L
K
K
I
--
F
D
G
Y
---
E
K
V
---
W
K
T
E
----------
R
-----------
N
T
G
E
F
P
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
V
-----------------
D
F
P
T
---
N
Q
-
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
E
---------
C
G
K
T
R
S
V
K
N
-----------------------------
D
E
---
I
A
V
I
--
D
D
G
K
I
F
L
---------------------------------------------------------------
34
HHSearch
70.37
42%
-17
- C- -
-
2GAI
-
TOP1_THEMA
B:
[7-601]
--------------------
K
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
G
N
E
Y
E
V
F
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--------------
F
G
V
D
------------
L
E
K
D
F
E
P
E
F
A
V
I
K
G
K
E
K
V
V
E
K
L
K
D
L
A
K
K
-
G
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
L
-
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
K
S
N
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
F
V
P
K
K
Y
H
R
I
T
V
N
F
D
G
L
T
-------
A
-
E
-------
I
-----
D
V
K
E
-----------------------
K
----------
K
F
F
D
A
E
T
L
--------
K
E
I
Q
S
I
---
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
-----
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
-----
V
G
---------------
A
H
E
A
I
R
P
T
N
-
V
F
M
-
T
P
E
E
A
G
---
K
Y
L
N
S
---
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
----
T
----
K
D
--
G
K
Y
R
F
K
G
T
V
L
KK
I
--
F
D
G
Y
---
E
K
V
---
W
K
T
E
----------
R
-----------
N
T
G
E
F
P
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
V
-----------------
D
F
P
T
---
N
Q
-
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
E
---------
C
G
K
T
R
S
V
K
N
-----------------------------
D
E
---
I
A
V
I
--
D
D
G
K
I
F
L
---------------------------------------------------------------
25
Fugue
69.96
42%
-15
- C- -
-
2GAI
-
TOP1_THEMA
A:
[7-601]
--------------------
K
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
G
N
E
Y
E
V
F
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--------------
F
G
V
D
------------
L
E
K
D
F
E
P
E
F
A
V
I
K
G
K
E
K
V
V
E
K
L
K
D
L
A
K
K
G
-
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
-
T
L
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
K
S
N
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
F
V
P
K
K
Y
H
R
I
T
V
N
F
D
------------------------
G
-
L
T
A
E
I
D
V
------------------
K
E
K
----------
K
F
F
D
A
E
T
L
--------
K
E
I
Q
S
---
I
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
-----
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
--------------------
V
G
A
H
E
A
I
R
P
T
N
-
V
F
M
-
T
P
E
E
A
G
---
K
Y
L
N
S
---
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
----
T
----
K
D
GK
Y
R
F
K
G
T
V
L
K
K
--
I
--
F
D
G
Y
---
E
K
V
---
W
K
T
E
----------
R
----------
N
T
G
-
E
F
P
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
I
V
V
---
D
-----
F
----
P
-
T
N
Q
K
C
---
S
------
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
---------
E
C
G
K
T
R
S
V
K
N
D
---------------------
E
I
A
V
I
D
D
G
K
---
I
F
L
-------------------------------------------------------------------------
36
HHSearch
69.92
37%
26
- C3 -
-
5D5H
2
TOP1_MYCTU
A:
[19-673]
------------------
G
R
R
L
V
I
V
E
S
P
T
K
A
R
K
L
A
S
Y
L
G
S
G
Y
I
V
E
S
S
R
G
H
I
R
D
L
----
P
R
A
A
SDVPAKYKSQPWAR
L
G
V
N
------------
V
D
A
D
F
E
P
L
Y
I
I
S
P
E
K
R
S
T
V
S
E
L
R
G
L
L
K
D
V
D
E
L
Y
L
A
T
D
G
D
R
E
G
E
A
I
A
W
H
L
L
E
T
L
K
P
R
-
I
P
V
K
R
M
V
F
H
E
I
T
E
P
A
I
R
A
A
A
E
H
P
R
D
L
D
I
D
L
V
D
A
Q
E
T
R
R
I
L
D
R
L
Y
G
Y
E
V
S
P
V
L
W
K
K
V
A
P
K
L
S
A
G
R
V
Q
S
V
A
T
R
I
I
V
A
R
E
R
D
R
M
A
F
R
S
A
A
Y
W
D
I
L
A
K
L
D
A
S
V
SDPDAAP
P
-
T
-------
F
--
S
A
-
R
L
T
A
V
A
G
RRVATGRDFDSLGTLRKG
D
E
V
----------
I
V
L
D
E
G
S
A
--------
T
A
L
A
A
G
L
D
G
T
Q
L
T
V
A
S
A
E
E
K
P
Y
A
R
R
P
-----
Y
P
P
F
M
T
S
T
L
Q
Q
E
A
S
R
K
L
R
F
S
A
E
R
T
M
S
I
A
Q
R
L
Y
E
--------
N
G
Y
I
T
Y
M
R
T
D
S
T
T
L
S
E
S
A
I
N
A
A
R
T
Q
A
R
Q
L
Y
G
D
E
Y
-----
V
A
P
A
P
R
Q
Y
T
R
K
V
K
N
A
Q
E
A
H
E
A
I
R
P
A
G
-
E
T
F
A
T
P
D
A
V
R
R
E
L
D
G
P
N
I
---
D
D
F
R
L
Y
E
L
I
W
Q
R
T
V
A
S
Q
M
A
D
A
R
G
M
T
L
S
L
R
I
T
----
G
M
SGH
Q
E
--
V
V
F
S
A
T
G
R
T
L
--
T
--
F
P
G
F
---
L
K
A
---
Y
V
E
T
----------
V
DELV
G
G
E
A
DD
A
E
R
R
L
P
H
L
T
P
G
Q
R
L
D
I
V
E
L
T
P
D
G
H
A
T
N
P
P
A
R
Y
T
E
A
S
L
V
K
A
L
E
E
L
G
I
G
R
P
S
T
Y
S
S
I
I
K
T
I
Q
D
R
G
Y
V
H
K
K
G
S
A
L
V
P
S
W
V
A
F
A
V
T
G
L
L
E
Q
H
F
G
R
L
V
D
Y
D
F
T
A
A
M
E
D
E
L
D
E
I
A
A
G
N
E
R
R
T
N
W
L
N
N
F
Y
F
G
G
D
H
G
V
P
D
S
V
A
R
S
G
G
L
K
K
L
V
G
IN
L
EGID
A
R
E
V
N
S
I
---
K
L
-
F
D
D
T
H
G
R
P
I
Y
V
R
V
G
K
N
G
P
Y
L
E
R
L
V
A
------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
69.47
42%
9
- C3 -
-
2GAJ
-
TOP1_THEMA
A:
[7-586]
--------------------
K
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
G
N
E
Y
E
V
F
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--------------
F
G
V
D
------------
L
E
K
D
F
E
P
E
F
A
V
I
K
G
K
E
K
V
V
E
K
L
K
D
L
A
K
K
G
-
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
-
L
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
K
S
N
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
F
V
P
K
K
Y
H
R
I
T
V
N
F
D
G
L
T
-------
A
-
E
-----------------
I
D
V
------------------
K
E
K
----------
K
F
F
D
A
E
T
L
--------
K
E
I
Q
--------
S
I
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
VG--------------------
A
H
E
A
I
R
P
T
N
-
V
F
M
-
T
P
E
E
A
G
---
K
Y
L
N
S
---
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
----
T
----
K
D
--
G
K
Y
R
F
K
G
T
V
L
--
K
K
I
F
D
G
Y
---
E
K
V
---
W
K
T
E
----------
R
----------
N
T
G
E
F
P
-
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
-----------------
I
-
V
V
D
F
P
---
T
N
Q
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
---------
E
C
G
K
T
R
S
V
----------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
68.87
42%
36
- C3 -
-
1CY4
1
TOP1_ECOLI
A:
[4-586]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P
T------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
---------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
68.81
42%
42
- C3 -
-
1MW8
2
TOP1_ECOLI
X:
[3-584]
-------------------
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
PTSG----DERGALVNR-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
S
------
E
A
R
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA-------------------------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
68.80
42%
37
- C3 -
-
3PX7
2
TOP1_ECOLI
A:
[3-584]
-------------------
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
N
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
--------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
68.25
42%
42
- C3 -
-
1MW9
-
TOP1_ECOLI
X:
[3-584]
-------------------
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
PT------ERGALVNR------
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
---------
R
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
------------------------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
68.24
42%
40
- C3 -
-
1CY6
1
TOP1_ECOLI
A:
[4-586]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
PT------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
-----------------------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
68.18
42%
35
- C3 -
-
1ECL
-
TOP1_ECOLI
A:
[3-584]
-------------------
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
-----
L
P
E
-
S
P
N
Q
Y
A
--------
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
--------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
67.95
45%
52
- C3 -
-
1MW9
-
TOP1_ECOLI
X:
[2-582]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
----
P
T
--------------------ERGALVNRMGVD
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
E
A
-------
L
AL
Q
V
-
T
H
Q
N
--
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
--------
A
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
-----
L
P
E
S
P
N
Q
Y
A
---------
R
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
---
M
P
A
L
---------------------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
N
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
67.76
37%
37
- C3 -
-
5D5H
2
TOP1_MYCTU
A:
[22-610]
---------------------
L
V
I
V
E
S
P
T
K
A
R
K
L
A
S
Y
L
G
S
G
Y
I
V
E
S
S
R
G
H
I
R
D
L
----
P
R
A
A
SDVPAKYKSQPWAR
L
G
V
N
------------
V
D
A
D
F
E
P
L
Y
I
I
S
P
E
K
R
S
T
V
S
E
L
R
G
L
L
K
D
V
D
E
L
Y
L
A
T
D
G
D
R
E
G
E
A
I
A
W
H
L
L
E
T
L
K
-
P
R
I
P
V
K
R
M
V
F
H
E
I
T
E
P
A
I
R
A
A
A
E
H
P
R
D
L
D
I
D
L
V
D
A
Q
E
T
R
R
I
L
D
R
L
Y
G
Y
E
V
S
P
V
L
W
K
K
V
A
P
K
L
S
A
G
R
V
Q
S
V
A
T
R
I
I
V
A
R
E
R
D
R
M
A
F
R
S
A
A
Y
W
D
I
L
A
K
L
D
A
S
V
-------
S
-
D
PDAAPP
T
F
--
S
A
-
R
L
T
A
V
A
G
------------------
R
R
V
ATGRDFDSLG
T
L
R
K
G
D
E
V
I
V
L
D
E
G
S
A
T
A
L
A
A
G
L
D
G
T
Q
L
T
V
A
S
A
E
E
K
P
Y
A
R
R
P
-----
Y
P
P
F
M
T
S
T
L
Q
Q
E
A
S
R
K
L
R
F
S
A
E
R
T
M
S
I
A
Q
R
L
Y
E
--------
N
G
Y
I
T
Y
M
R
T
D
S
T
T
L
S
E
S
A
I
N
A
A
R
T
Q
A
R
Q
L
Y
G
D
E
Y
VAPAP
R
Q
Y
-
T
R
K
V
K
N
----
A
Q
E
A
H
E
A
I
R
P
A
G
E
T
F
A
-
T
P
D
A
V
R
---
R
E
L
D
G
PN
I
D
D
F
R
L
Y
E
L
I
W
Q
R
T
V
A
S
Q
M
A
D
A
R
G
M
T
L
S
L
R
I
T
G
M
SG
H
----
Q
E
--
V
V
F
S
A
T
G
R
T
L
--
T
--
F
P
G
F
---
L
K
A
---
Y
V
E
T
V
DELV
G
G
E
A
D
D
----------
A
E
R
R
L
P
H
L
T
P
G
Q
R
L
D
I
V
E
L
T
P
D
G
H
A
T
N
P
P
A
R
Y
T
E
A
S
L
V
K
A
L
E
E
L
G
I
G
R
P
S
T
Y
S
S
I
I
K
T
I
Q
D
R
G
Y
V
H
K
K
G
S
A
L
V
P
S
W
V
A
F
A
V
T
G
L
L
E
Q
H
F
G
R
L
V
D
Y
D
F
T
A
A
M
E
D
E
L
D
E
I
A
A
G
N
E
R
R
T
N
W
L
N
N
F
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
67.59
42%
39
- C3 -
-
3PWT
-
TOP1_ECOLI
A:
[3-584]
-------------------
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
PT------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
N
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
-----------------------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
66.89
42%
41
- C3 -
-
1CY8
2
TOP1_ECOLI
A:
[4-586]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
---------
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
K
G
----------
D
----------
E
D
R
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
65.97
42%
43
- C3 -
-
1CY2
2
TOP1_ECOLI
A:
[4-586]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------DER
G
A
L
V
N
R
-----
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
--------
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
R
--------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
65.42
42%
10
- C- -
-
2GAI
-
TOP1_THEMA
A:
[7-586]
--------------------
K
Y
I
V
V
E
S
P
A
K
A
K
T
I
K
S
I
L
G
N
E
Y
E
V
F
A
S
M
G
H
I
I
D
L
----
P
K
S
K
--------------
F
G
V
D
------------
L
E
K
D
F
E
P
E
F
A
V
I
K
G
K
E
K
V
V
E
K
L
K
D
L
A
K
K
G
-
E
L
L
I
A
S
D
M
D
R
E
G
E
A
I
A
W
H
I
A
R
V
T
N
T
-
L
G
R
K
N
R
I
V
F
S
E
I
T
P
R
V
I
R
E
A
V
K
N
P
R
E
I
D
M
K
K
V
R
A
Q
L
A
R
R
I
L
D
R
I
V
G
Y
S
L
S
P
V
L
W
R
N
F
K
S
N
L
S
A
G
R
V
Q
S
A
T
L
K
L
V
C
D
R
E
R
E
I
L
R
F
V
P
K
K
Y
H
R
I
T
V
N
F
D
G
L
T
-------
A
-
E
-----------------
I
D
V
------------------
K
E
K
----------
K
F
F
D
A
E
T
L
--------
K
E
I
Q
--------
S
I
D
E
L
V
V
E
E
K
K
V
S
V
K
K
F
A
P
P
E
P
F
K
T
S
T
L
Q
Q
E
A
Y
S
K
L
G
F
S
V
S
K
T
M
M
I
A
Q
Q
L
Y
E
G
V
E
T
K
D
G
H
I
A
F
I
T
Y
M
R
T
D
S
T
R
V
S
D
Y
A
K
E
E
A
R
N
L
I
T
E
V
F
G
E
E
Y
VG--------------------
A
H
E
A
I
R
P
T
N
-
V
F
M
-
T
P
E
E
A
G
---
K
Y
L
N
S
---
D
Q
K
K
L
Y
E
L
I
W
K
R
F
L
A
S
Q
M
K
P
S
Q
Y
E
E
T
R
F
V
L
R
----
T
----
K
D
--
G
K
Y
R
F
K
G
T
V
L
--
K
K
I
F
D
G
Y
---
E
K
V
---
W
K
T
E
----------
R
----------
N
T
G
E
F
P
-
F
E
E
G
E
S
V
K
P
V
V
V
K
I
E
E
Q
E
T
K
P
K
P
R
Y
T
E
G
S
L
V
K
E
M
E
R
L
G
I
G
R
P
S
T
Y
A
S
T
I
K
L
L
L
N
R
G
Y
I
K
K
I
R
G
Y
L
Y
P
T
I
V
G
S
V
V
M
D
Y
L
E
K
K
Y
S
D
V
V
S
V
S
F
T
A
E
M
E
K
D
L
D
E
V
E
Q
G
K
K
T
D
K
I
V
L
R
E
F
Y
E
S
F
S
S
V
F
D
R
N
D
R
-----------------
I
-
V
V
D
F
P
---
T
N
Q
K
C
S
-
C
G
K
E
M
R
L
S
F
G
K
Y
G
F
Y
L
K
C
---------
E
C
G
K
T
R
S
V
----------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
63.33
42%
62
- C3 -
-
1CY1
3
TOP1_ECOLI
A:
[4-586]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------R
G
A
L
V
N
R
-------
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
-------
E
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
MPA
L
---------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
Q
Q
L
D
K
A
E
K
D
P
E
---
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
62.61
42%
61
- C3 -
-
1CY0
1
TOP1_ECOLI
A:
[4-574]
------------------
G
K
A
L
V
I
V
E
S
P
A
K
A
K
T
I
N
K
Y
L
G
S
D
Y
V
V
K
S
S
V
G
H
I
R
D
L
P-------A
L
V
N
R
---------
M
G
V
D
------------
P
W
H
N
W
E
A
H
Y
E
V
L
P
G
K
E
K
V
V
S
E
L
K
Q
L
A
E
K
A
D
H
I
Y
L
A
T
D
L
D
R
E
G
E
A
I
A
W
H
L
R
E
V
I
G
G
D
D
A
R
Y
S
R
V
V
F
N
E
I
T
K
N
A
I
R
Q
A
F
N
K
P
G
E
L
N
I
D
R
V
N
A
Q
Q
A
R
R
F
M
D
R
V
V
G
Y
M
V
S
P
L
L
W
K
K
I
A
R
G
L
S
A
G
R
V
Q
S
V
A
V
R
L
V
V
E
R
E
R
E
I
K
A
F
V
P
E
E
F
W
E
V
D
A
S
T
T
T
P
S
-------
G
-
E
-------
A
--
L
A
L
Q
V
T
H
Q
N
D
------------------
K
P
F
----------
R
P
V
N
K
E
Q
T
--------
Q
A
A
V
S
L
L
E
K
A
R
Y
S
V
L
E
R
E
D
K
P
T
T
S
K
P
-----
G
A
P
F
I
T
S
T
L
Q
Q
A
A
S
T
R
L
G
F
G
V
K
K
T
M
M
M
A
Q
R
L
Y
E
A
--------
G
Y
I
T
Y
M
R
T
D
S
T
N
L
S
Q
D
A
V
N
M
V
R
G
Y
I
S
D
N
F
G
K
K
Y
L----
P
E
S
-
P
N
Q
Y
A
S
-
K
E
N
S
Q
E
A
H
E
A
I
R
P
S
D
-
V
N
V
-
M
A
E
S
L
----
K
D
M
E
A
---
D
A
Q
K
L
Y
Q
L
I
W
R
Q
F
V
A
C
Q
M
T
P
A
K
Y
D
S
T
T
L
T
V
G
----
A
----
G
D
--
F
R
L
K
A
R
G
R
I
L
--
R
--
F
D
G
W
---
T
K
V
M------------------------------
I
L
P
A
V
N
K
G
D
A
L
T
L
V
E
L
T
P
A
Q
H
F
T
K
P
P
A
R
F
S
E
A
S
L
V
K
E
L
E
K
R
G
I
G
R
P
S
T
Y
A
S
I
I
S
T
I
Q
D
R
G
Y
V
R
V
E
N
R
R
F
Y
A
E
K
M
G
E
I
V
T
D
R
L
E
E
N
F
R
E
L
M
N
Y
D
F
T
A
Q
M
E
N
S
L
D
Q
V
A
N
H
E
A
E
W
K
A
V
L
D
H
F
F
S
D
F
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------