@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 : gbs1518: (2015-12-08 )
MTAFNSLFSLDKKRLKKLQRTLNTINSLKGQMATLSNEELQAKTTEFRKRLVNGETLDDICAEAFAVVREADKRVLGLFPYDVQVIGGLVLHQGNTAEMKTGEGKTLTATMPLYLNALEGKGAMLLTNNSYLAIRDAEEMGKVYRFLGLSVGVGVSDNEEEDRDAATKRAVYSSDIVYSTSSALGFDYLIDNLASSKSQKYMPKLHYAIVDEADAVLLDMAQTPLVISGSPRVQSNLYKIADELILSFEEQVDYYFDKERQEVWIKNQGVREAERYFRIPHFYKQSNRELVRHLNLSLKAHKLFERGKDYVVDDGEIKLLDATNGRVLEGTKLQGGVHQAIEQKEHLNVTPESRAMASITYQNLFRMFTKLAGMTGTGKTAEKEFIEVYDMEVVRIPTNSPVRRIDYPDKIYTTLPEKIHATIEFVKQVHDTGQPILLVAGSVRMSELFSELLLLSGIPHSLLNAQSAVKEAQMIAEAGQKGAVTVATNMAGRGTDIKLGKGVSELGGLAVIGTERMKSQRMDLQLRGRSGRQGDIGFSQFFVSFEDDLMIESGPKWAQDYFRKNRDKVNPEKPKALGQRRFQKLFQQTQEASDGKGESARSQTIEFDSSVQLQREYVYRERNALINGESGHFSPRQIIDTVISSFIAYLDGEVEKEELIFEVNRFIFDNMSYNLQGISKEMSLEEIKNYLFKIADEILREKHNLLGDSFGDFERTAALKAIDEAWIEEVDYLQQLRTVATARQTAQRNPVFEYHKEAYKSYNIMKKEIREQTFRNLLLSEVSFNENGDLQIYFI
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...----..-..710----.-----.......720.......730.......740.......750.......760.......770.......780.......790...---------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-M
T
A
F
N
S
L
F
-
S
L
D
-
K
K
R
L
-
K
-
K
L
Q
R
-
T
L
N
T
I
N
S
L
K
G
Q
M
A
TLSN
E
E
L
Q
A
K
T
T
E
F
R
K
R
LV---NGE
T
L
D
D
I
C
A
E
A
F
A
V
V
R
E
ADK
R
V
L
G
LFP
Y
D
V
Q
V
I
G
G
L
V
LHQGNTAEMKTGEG
K
T
L
T
A
TM
P
L
Y
L
N
ALEGK
G
A
M
L
L
TNN
S
Y
L
A
I
R
D
A
E
E
M
G
K
V
Y
R
F
L
GLSVGV--------------------GVSDN---------------
E
E
E
D
R
D
A
A
----------
T
KRAVYSS
D
I
V
YSTSSAL
G
F
D
Y
L
I
D
N
L
ASS
K
S
QKYMP---K---
L
H
Y
A
IVDEA
D
A
V
L
L
DMAQT
P
L
V
ISGSPR
V
Q
S
N
L
Y
K
I
A
D
E
L
I
L
S
F
E
E
------------
Q
V
D
Y
Y
F
D
K
E
R
Q
E
V
W
IKNQG
V
R
E
A
E
R
Y
FRI
P
H
F
Y
K
QS
N
R
E
L
V
R
HLNL
S
L
K
A
H
K
L
F
E
RGK
D
Y
VVDDG
E
I
K
L
L
DATN
G
R
V
L
EGTKLQ
G
G
V
H
Q
A
I
E
Q
KEHLNVTPES
R
A
M
A
S
I
T
Y
Q
N
L
F
R
M
F
T
K
LAGMTGTGK
T
A
E
K
E
F
I
E
V
Y
D
M
E
V
V
RIPTNSPVRRIDYP
D
K
I
Y
T
T
L
P
E
K
I
H
A
T
I
E
F
V
K
Q
V
H
DTGQ
P
I
L
L
V
AGS
V
R
M
S
E
L
F
S
E
L
L
----------------------------------------------------------------------------
L
L----------------------------------------------------------------------------SGI
P
H
S
L
L
N
A
Q
S
A
V
K
E
A
Q
M
I
A
EAGQK
G
A
V
T
V
A
TNMAGRGTDIKLG------------------------------------------------------------------K------------------------------------------------------------------
G
V
S
ELG
G
L
A
V
I
G
T
E
R
M
KSQRM
D
L
Q
L
RGRSGRQGDI
G
F
S
Q
F
F
V
SFED
D
L
M
IE-SG
P
K
W
A
Q
D
Y
F
R
KNRDKVNPEK
P
K
A
L
G
Q
R
R
F
Q
K
L
F
Q
Q
T
Q
EASDGKGESARS
Q
T
I
EFDSS
V
Q
L
Q
R
E
Y
V
Y
R
E
R
N
ALING---ES--GHF
S
P
R
Q
I
I
D
T
V
I
S
S
----
F
I
-----
A
------
Y
LDG--E--V
E
--
K
E
E
L
----
I
F
E
V
--------
N
R
F
I
-F------DN-----MSYNLQG--I-----
S
-
K
EM
S
L
--
E
E
I
K
N
Y
L
F
K
I
A
D
E
I
L
R
E
K
H
N
L----LG-DSFG-----
D
-----
F
E
R
T
A
A
L
K
A
I
D
E
A
W
I
E
E
V
D
Y
L
Q
Q
L
R
T
V
A
T
A
R
Q
TAQRN
P
V
F
E
Y
H
K
E
A
Y
K
S
Y
N
I
M
K
K
E
I
R
E
Q
T
F
R
N
L
L
L
S
E
VSFNENG
D
L
Q
I
Y
FI---------
26
HHSearch
96.21
39%
-63
- C4 -
1NKT
2
SECA1_MYCTU
A:
[30-865]
--
D
I
L
S
K
L
L
R
L
G
E
G
R
M
-
V
-
K
-
R
L
K
K
-
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
DQK
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
--------------------
I
L
A
T
M
--------------------
T
P
D
----------
E
R
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
---
H
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
G
I
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
------------------------------------------------------------------
G
N
V
D
F
L
T
D
Q
R
L
R
E
R
GLDPVET
P
E
E
Y
E
A
A
W
H
S
E
L
P
I
V
K
E
E
A
S
K
E
A
K
----------------------
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
-
F
N
G
A
A
L
E
T
L
L
T
R
L
N
--
L
P
--
D
D
V
P
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
---
E
N
--
L
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
----
Y
V
-----
D
------
G
A
T
G
E-
G
--
Y
A
--
E
D
W
D
----
L
D
A
L
--------
W
T
A
L
-
K
------
T
L
-----
Y
P
V
G
I
T
A
--
D
SL---
T
----------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
A
G
E
G
A
M
R
-----
Q
-----
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
----------------------
24
PsiBlast_CBE
95.52
37%
-64
- C4 -
1NKT
2
SECA1_MYCTU
B:
[32-856]
----
L
S
K
L
L
-
R
L
G
-
E
G
R
M
V
K
-
R
L
K
K
-
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
DQK
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
--------------------
I
L
A
T
M
---------------
T
P
D
E
R
---------------
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
---
H
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
G
I
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
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L
F
S
R
D
K
D
Y
I
V
R
D
G
E
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L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
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G
M
H
Q
A
I
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A
K
E
H
V
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I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
GNVDFLTDQRLRERGLDPVETPEEYEAAWHSELPIVKEEASKEA----------------------
K
------------------------------------------------------------------
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
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S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
-----
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
---
E
N
--
L
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
----
Y
V
-----
D
------
G
A
T
G
--
E
--
G
Y
--
A
E
D
W
DLDA
L
W
T
A
--------
L
K
T
L
-
Y
PVGITA
D
S
-----
L
T
------------------------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
----
L
E
-
E
I
A
G
-----
E
GAMRQ
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
----------------------
16
PsiBlast_PDB
95.37
37%
-63
- C4 -
1NL3
-
SECA1_MYCTU
A:
[2-826]
----
L
S
K
L
L
-
R
L
G
-
E
G
R
M
V
K
-
R
L
K
K
-
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
DQK
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
--------------------
I
L
A
T
M
---------------
T
P
D
E
R
---------------
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
---
H
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
G
I
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
GN
V
D
F
L
T
D
Q
R
L
R
E
R
GLDPVET
P
E
E
Y
E
A
A
W
H
S
E
L
P
I
V
K
E
E
A
S
K
E
A
----------------------
K
------------------------------------------------------------------
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
-----
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
---
E
N
--
L
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
----
Y
V
-----
D
------
G
A
T
G
--
E
--
G
Y
--
A
E
D
W
D
L
D
A
L
W
T
A
--------
L
K
T
L
-
Y
PVGITA
D
S
-----
L
T
-------------------
R
--
E
E
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
----
L
E
-
E
I
A
G
-----
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
----------------------
15
PsiBlast_PDB
94.70
37%
-63
- C4 -
1NKT
2
SECA1_MYCTU
A:
[32-856]
----
L
S
K
L
L
-
R
L
G
-
E
G
R
M
V
K
-
R
L
K
K
-
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
DQK
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
--------------------
I
L
A
T
M
---------------
T
P
D
E
R
---------------
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
---
H
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
G
I
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
GN
V
D
F
L
T
D
Q
R
L
R
E
R
GLDPVET
P
E
E
Y
E
A
A
W
H
S
E
L
P
I
V
K
E
E
A
S
K
E
A
----------------------
K
------------------------------------------------------------------
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
-----
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
---
E
N
--
L
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
----
Y
V
-----
D
------
G
A
T
G
--
E
--
G
Y
--
A
E
D
W
D
L
D
A
L
W
T
A
--------
L
K
T
L
-
Y
PVGITA
D
S
-----
L
T
------------------------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
----
L
E
-
E
I
A
G
-----
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
----------------------
28
HHSearch
94.56
42%
-66
- C4 -
1TF5
-
SECA_BACSU
A:
[2-780]
-
L
G
I
L
N
-------K
R
T
-
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
--------------------
S
K
D
----------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
D
R
F
G
--
M
D
--
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
N
--
L
R
E
I
V
E
N
M
I
K
S
S
L
E
R
----
A
I
-----
A
------
A
Y
T
P
RE
E
--
L
P
--
E
E
W
K
----
L
D
G
L
--------
V
D
L
I
-
N
------
T
T
-----
Y
L
D
E
G
A
L
EK
S
-----
D
I
F
G
K
E
P
--
D
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
----
F
G
K
E
Q
M
R
-----
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
----------------------
46
Fugue
94.37
41%
-57
- C4 -
1M6N
7
SECA_BACSU
A:
[1-802]
M
L
G
I
L
N
K
M
F
-
D
P
T
-
K
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
--------------------
S
K
D
----------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
-----
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
N
--
L
R
E
I
V
E
N
M
I
K
S
S
L
E
R
----
A
I
-----
A
A
Y
T
PRE
E
L
P
E
--
E
--
W
K
--
L
D
G
L
----
V
D
L
I
--------
N
T
T
Y
-
L
------
D
E
-----
G
A
L
E
K
S
D
--
I
-----
F
-
G
-
K
E
P
--
D
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
----
F
G
K
E
Q
M
R
-----
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
N
N
L
E
R
E
E
V
V
Q
G
Q
T
T
A
H
Q
P
Q
EG
27
HHSearch
93.97
39%
-66
- C4 -
2FSF
-
SECA_ECOLI
A:
[13-834]
-----------
R
N
D
R
T
-
L
-
R
-
R
M
R
K
-
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
E
---
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
--------------------
N
L
P
G
M
--------------------
P
A
P
----------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
---
L
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
----------------------------------------------------------------------------------------------------------------------------------
I
Q
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
I
V
A
Q
A
G
Y
P
A
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
V
L
G
------------------------------------------------------------------
G
S
W
Q
A
E
V
A
A
LENPT
A
E
Q
I
E
K
I
K
A
D
W
Q
V
R
H
D
-------------------------------------
A
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
A
G
S
S
R
F
Y
L
S
M
E
D
A
L
M
R
I
-
F
A
S
D
R
V
S
G
M
M
R
K
L
G
--
M
K
--
P
G
E
A
I
E
H
P
W
V
T
K
A
I
A
N
A
Q
R
K
V
E
S
R
N
F
D
I
R
K
Q
L
L
E
Y
D
D
V
A
N
D
Q
R
R
A
I
Y
S
Q
R
N
E
L
L
D
V
---
S
D
--
V
S
E
T
I
N
S
I
R
E
D
V
F
K
A
----
T
I
-----
D
------
A
Y
I
P
PQ
S
--
L
E
--
E
M
W
D
----
I
P
G
L
--------
Q
E
R
L
-
K
------
N
D
-----
F
D
L
D
L
P
I
--
A
E
W
L
D
K
E
-
P
E
L
H
E
--
E
T
L
R
E
R
I
L
A
Q
S
I
E
V
Y
Q
R
K
E
E
V
----
V
G
A
E
M
M
R
-----
H
-----
F
E
K
G
V
M
L
Q
T
L
D
S
L
W
K
E
H
L
A
A
M
D
Y
L
R
Q
G
I
H
L
R
G
Y
A
Q
K
D
P
K
Q
E
Y
K
R
E
S
F
S
M
F
A
A
M
L
E
S
L
K
Y
E
V
I
S
T
L
S
K
V
Q
V
R
M
P
-------------------
2
PsiBlast_PDB
93.59
42%
-55
- C4 -
1M74
7
SECA_BACSU
A:
[5-783]
----
L
N
K
M
F
-
D
P
T
-
K
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
R
--
E
--
E
L
--
P
E
E
------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
T
-
K
Y
N
E
----
K
E
-
E
Q
F
G
K
E
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
N
N
L
E
R
E
E
V
V
Q
G
Q
---------
1
PsiBlast_PDB
93.53
42%
-55
- C4 -
1M6N
7
SECA_BACSU
A:
[5-783]
----
L
N
K
M
F
-
D
P
T
-
K
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
R
--
E
--
E
L
--
P
E
E
------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
T
-
K
Y
N
E
----
K
E
-
E
Q
F
G
KE
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
N
N
L
E
R
E
E
V
V
Q
G
Q
---------
8
PsiBlast_PDB
93.33
38%
-62
- C4 -
4YS0
2
SECA_THEMA
A:
[3-814]
-------
L
F
-
D
K
N
-
K
R
I
L
-
K
-
K
Y
A
K
-
M
V
S
K
I
N
Q
I
E
S
D
L
R
S
K
K
N
S
E
L
I
R
L
S
M
V
L
K
E
K
V
N
---
S
F
E
D
A
D
E
H
L
F
E
A
F
A
L
V
R
E
A
A
R
R
T
L
G
M
R
P
F
D
V
Q
V
M
G
G
I
A
L
H
E
G
K
V
A
E
M
K
T
G
E
G
K
T
L
A
A
T
M
P
I
Y
L
N
A
L
I
G
K
G
V
H
L
V
T
V
N
D
Y
L
A
R
R
D
A
L
W
M
G
P
V
Y
L
F
L
G
L
R
V
G
V
I
N
S
LG
K
S
Y
E
V
V
W
KN
P
D
L
A
R
K
A
I
E
E
N
WSVWPDGFNGEVLKE
E
S
M
N
K
E
A
V
E
A
F
Q
V
E
L
K
E
I
T
R
K
E
A
Y
L
C
D
V
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
L
V
L
D
Y
N
D
K
V
Q
R
---
G
---
H
F
Y
A
I
V
D
E
A
D
S
V
L
I
D
E
A
R
T
P
L
I
I
S
G
P
S
K
E
S
P
S
V
Y
R
R
F
A
Q
I
A
K
K
F
V
K
------------
D
K
D
F
T
V
D
E
K
A
R
T
I
I
L
T
E
E
G
V
A
K
A
E
K
I
I
G
V
E
N
L
Y
D
P
G
N
V
S
L
L
Y
H
L
I
N
A
L
K
A
L
H
L
F
K
K
D
V
D
Y
V
V
M
N
G
E
V
I
I
V
D
E
F
T
G
R
L
L
P
G
R
R
Y
S
G
G
L
H
Q
A
I
E
A
K
E
G
V
P
I
K
E
E
S
I
T
Y
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
S
E
F
V
Q
V
Y
G
M
E
V
V
V
I
P
T
H
K
P
M
I
R
K
D
H
D
D
L
V
F
R
T
Q
K
E
K
Y
E
K
I
V
E
E
I
E
K
R
Y
K
K
G
Q
P
V
L
V
G
T
T
S
I
E
K
S
E
L
L
S
S
M
L
----------------------------------------------------------------------------
K
K
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
Y
H
E
K
E
A
E
I
V
A
K
A
G
Q
K
G
M
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
P
------------------------------------------------------------------
G
V
A
E
L
G
G
L
C
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
E
S
I
F
F
L
S
L
E
D
D
L
L
R
I
-
F
G
----
S
E
Q
I
G
K
V
M
N
I
L
K
I
E
E
G
Q
P
I
Q
H
P
M
L
S
K
L
I
E
N
I
Q
K
K
V
E
G
I
N
F
S
I
R
K
T
L
M
E
M
D
D
V
L
D
K
Q
R
R
A
V
Y
S
L
R
D
Q
I
L
L
E
---
K
D
--
Y
D
E
Y
L
K
D
I
F
E
D
V
V
S
T
R
V
E
E
F
C
-----
S
------
G
K
N
W
--
D
--
I
E
S
L
K
N
S
L
S---
F
F
P
A
--------
G
L
F
D
-
L
------
D
E
-----
K
Q
F
S
----------------
S
S
--
E
E
L
H
D
Y
L
F
N
R
L
W
E
E
Y
Q
R
K
K
Q
E
----
I
G
-
E
D
Y
R
-----
K
-----
V
I
R
F
L
M
L
R
I
I
D
D
H
W
R
R
Y
L
E
E
V
E
H
V
K
E
A
V
Q
L
R
S
----
D
P
I
V
E
F
K
K
E
T
Y
Y
M
F
D
E
M
M
R
R
I
N
D
-
T
I
A
N
Y
V
L
R
V
L
E
H
--------------------
21
PsiBlast_CBE
93.05
42%
-60
- C4 -
3JV2
3
SECA_BACSU
B:
[17-782]
---------------
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
R
--
E
--------
E
------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
-
T
K
Y
N
E
----
K
E
-
E
Q
F
G
K
E
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
-----------------------
7
PsiBlast_PDB
93.00
42%
-56
- C4 -
3IQY
4
SECA_BACSU
A:
[5-783]
----
L
N
K
M
F
-
D
P
T
-
K
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
Q
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
K
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
R
--
E
--
E
L
--
P
E
E
------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
-
T
K
Y
N
E
----
K
E
-
E
Q
F
G
K
E
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
N
N
L
E
R
E
E
V
V
Q
G
Q
---------
5
PsiBlast_PDB
92.98
42%
-56
- C4 -
3IQM
10
SECA_BACSU
A:
[5-783]
----
L
N
K
M
F
-
D
P
T
-
K
R
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
Q
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
R
--
E
--
E
L
--
P
E
E
------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
T
-
K
Y
N
E
----
K
E
-
E
Q
F
G
KE
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
N
N
L
E
R
E
E
V
V
Q
G
Q
---------
3
PsiBlast_PDB
92.71
42%
-60
- C4 -
3JV2
3
SECA_BACSU
A:
[18-782]
----------------
T
L
-
N
-
R
Y
E
K
-
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
---
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
--------------------
N
L
N
S
M
---------------
S
K
D
E
---------------
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
---
L
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
G
I
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
----------------------------------------------------------------------------
K
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
E
------------------------------------------------------------------
G
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
-
F
G
A
E
R
T
M
A
M
L
----
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
---
E
------
N
L
R
E
I
V
E
N
M
I
K
S
----
S
L
E
R
A
I
A
A
------
Y
T
P
-------------------
W
K
L
--------
D
G
L
V
D
L
------
I
N
-----
T
T
Y
L
D
E
G
--
A
-----
L
-
E
K
S
D
I
FG
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
-
T
K
Y
N
E
----
K
E
-
E
Q
F
G
K
E
Q
M
R
E
-----
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
-----------------------
10
PsiBlast_PDB
92.41
38%
-56
- C4 -
3JUX
2
SECA_THEMA
A:
[4-814]
--------
F
-
D
K
N
-
K
R
I
L
-
K
-
K
Y
A
K
-
M
V
S
K
I
N
Q
I
E
S
D
L
R
S
K
K
N
S
E
L
I
R
L
S
M
V
L
K
E
K
V
N
---
S
F
E
D
A
D
E
H
L
F
E
A
F
A
L
V
R
E
A
A
R
R
T
L
G
M
R
P
F
D
V
Q
V
M
G
G
I
A
L
H
E
G
K
V
A
E
M
K
T
G
E
G
K
T
L
A
A
T
M
P
I
Y
L
N
A
L
I
G
K
G
V
H
L
V
T
V
N
D
Y
L
A
R
R
D
A
L
W
M
G
P
V
Y
L
F
L
G
L
R
V
G
V
I
N
S
LG
K
S
Y
E
V
V
WKN
P
D
L
A
R
K
A
I
E
E
N
WSVWPDGFNGEVLKE
E
S
M
N
K
E
A
V
E
A
F
Q
V
E
L
K
E
I
T
R
K
E
A
Y
L
C
D
V
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
L
V
L
D
Y
N
D
K
V
Q
R
---
G
---
H
F
Y
A
I
V
D
E
A
D
S
V
L
I
D
E
A
R
T
P
L
I
I
S
G
P
S
K
E
S
P
S
V
Y
R
R
F
A
Q
I
A
K
K
F
V
K
------------
D
K
D
F
T
V
D
E
K
A
R
T
I
I
L
T
E
E
G
V
A
K
A
E
K
I
I
G
V
E
N
L
Y
D
P
G
N
V
S
L
L
Y
H
L
I
N
A
L
K
A
L
H
L
F
K
K
D
V
D
Y
V
V
M
N
G
E
V
I
I
V
D
E
F
T
G
R
L
L
P
G
R
R
Y
S
G
G
L
H
Q
A
I
E
A
K
E
G
V
P
I
K
E
E
S
I
T
Y
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
S
E
F
V
Q
V
Y
G
M
E
V
V
V
I
P
T
H
K
P
M
I
R
K
D
H
D
D
L
V
F
R
T
Q
K
E
K
Y
E
K
I
V
E
E
I
E
K
R
Y
K
K
G
Q
P
V
L
V
G
T
T
S
I
E
K
S
E
L
L
S
S
M
L
----------------------------------------------------------------------------
K
K
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
Y
H
E
K
E
A
E
I
V
A
K
A
G
Q
K
G
M
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
------------------------------------------------------------------
P
------------------------------------------------------------------
G
V
A
E
L
G
G
L
C
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
E
S
I
F
F
L
S
L
E
D
D
L
L
R
I
-
F
G
----
S
E
Q
I
G
K
V
M
N
I
L
K
I
E
E
G
Q
P
I
Q
H
P
M
L
S
K
L
I
E
N
I
Q
K
K
V
E
G
I
N
F
S
I
R
K
T
L
M
E
M
D
D
V
L
D
K
Q
R
R
A
V
Y
S
L
R
D
Q
I
L
L
E
---
K
D
--
Y
D
E
Y
L
K
D
I
F
E
D
V
V
S
T
R
V
E
E
F
C
-----
S
------
G
K
N
W
--
D
--
I
E
S
L
K
N
S
L
S---
F
F
P
A
--------
G
L
F
D
-
L
------
D
E
-----
K
Q
F
S
----------------
S
S
--
E
E
L
H
D
Y
L
F
N
R
L
W
E
E
Y
Q
R
K
K
Q
E
----
I
G
-
E
D
Y
R
-----
K
-----
V
I
R
F
L
M
L
R
I
I
D
D
H
W
R
R
Y
L
E
E
V
E
H
V
K
E
A
V
Q
L
R
S
Y
G
Q
K
D
P
I
V
E
F
K
K
E
T
Y
Y
M
F
D
E
M
M
R
R
I
N
D
-
T
I
A
N
Y
V
L
R
V
-----------------------
14
PsiBlast_PDB
92.01
36%
-65
- C4 -
2FSI
1
SECA_ECOLI
A:
[5-827]
-----------
R
N
-
D
R
T
L
-
R
-
R
M
R
K
-
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
E
---
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
--------------------
N
L
P
G
--------------------
M
P
A
P
----------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
---
L
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
D
S
-------------------------------------------------------------------------------------------------------------------------------
Q
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
I
V
A
Q
A
G
Y
P
A
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
V
L
G
GS
W
Q
A
E
V
A
A
LENPT
A
E
Q
I
E
K
I
K
A
D
W
Q
V
R
H
-------------------------------------
D
------------------------------------------------------------------
A
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
A
G
S
S
R
F
Y
L
S
M
E
D
A
L
M
-----
R
I
F
A
S
D
R
V
S
G
M
M
R
K
L
G
M
K
P
G
E
A
I
E
H
P
W
V
T
K
A
I
A
N
A
Q
R
K
V
E
S
R
N
F
D
I
R
K
Q
L
L
E
Y
D
D
V
A
N
D
Q
R
R
A
I
Y
S
Q
R
N
E
L
L
D
V
---
S
D
--
V
S
E
T
I
N
S
I
R
E
D
V
-------
F
K
-----
A
------
T
I
D
A
--
Y
--
I
P
--
P
Q
S
L
EE--
M
W
D
I
P
G
L
Q
E
R
L
K
N
D
F
D
-
L
------
D
L
-----
P
I
A
E
W
L
D
--
K
-----
E
-
P
E
L
H
E
--
E
T
L
R
E
R
I
L
A
Q
S
I
E
V
Y
Q
R
K
E
E
V
----
V
G
A
E
M
M
R
-----
H
-----
F
E
K
G
V
M
L
Q
T
L
D
S
L
W
K
E
H
L
A
A
M
D
Y
L
R
Q
G
I
H
L
R
G
Y
A
Q
K
D
P
K
Q
E
Y
K
R
E
S
F
S
M
F
A
A
M
L
E
S
L
K
Y
E
V
I
S
T
L
S
K
V
Q
V
R
M
P
E
E
-----------------
12
PsiBlast_PDB
91.96
36%
-65
- C4 -
2FSF
-
SECA_ECOLI
A:
[13-834]
-----------
R
N
-
D
R
T
L
-
R
-
R
M
R
K
-
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
E
---
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
--------------------
N
L
P
G
--------------------
M
P
A
P
----------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
---
L
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
----------------------------------------------------------------------------------------------------------------------------------
I
Q
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
I
V
A
Q
A
G
Y
P
A
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
V
L
G
GS
W
Q
A
E
V
A
A
LENPT
A
E
Q
I
E
K
I
K
A
D
W
Q
V
R
H
-------------------------------------
D
------------------------------------------------------------------
A
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
A
G
S
S
R
F
Y
L
S
M
E
D
A
L
M
-----
R
I
F
A
S
D
R
V
S
G
M
M
R
K
L
G
M
K
P
G
E
A
I
E
H
P
W
V
T
K
A
I
A
N
A
Q
R
K
V
E
S
R
N
F
D
I
R
K
Q
L
L
E
Y
D
D
V
A
N
D
Q
R
R
A
I
Y
S
Q
R
N
E
L
L
D
V
---
S
D
--
V
S
E
T
I
N
S
I
R
E
D
V
-------
F
K
-----
A
------
T
I
D
A
--
Y
--
I
P
--
P
Q
S
L
EE--
M
W
D
I
P
G
L
Q
E
R
L
K
N
D
F
D
-
L
------
D
L
-----
P
I
A
E
W
L
D
--
K
-----
E
-
P
E
L
H
E
--
E
T
L
R
E
R
I
L
A
Q
S
I
E
V
Y
Q
R
K
E
E
V
----
V
G
A
E
M
M
R
-----
H
-----
F
E
K
G
V
M
L
Q
T
L
D
S
L
W
K
E
H
L
A
A
M
D
Y
L
R
Q
G
I
H
L
R
G
Y
A
Q
K
D
P
K
Q
E
Y
K
R
E
S
F
S
M
F
A
A
M
L
E
S
L
K
Y
E
V
I
S
T
L
S
K
V
Q
V
R
M
P
-------------------
47
Fugue
91.23
38%
-52
- C4 -
2IPC
-
SECA_THET8
A:
[1-939]
M
L
G
L
L
R
R
L
F
-
D
N
N
-
E
R
E
I
-
A
-
R
Y
Y
K
Q
V
V
E
P
V
N
R
L
E
A
E
V
E
K
L
P
D
--
L
A
A
A
Y
R
E
L
K
E
K
H
E
---
K
G
A
S
L
D
E
L
L
P
M
A
F
A
L
T
R
E
S
A
K
R
Y
L
G
M
R
H
F
D
V
Q
L
I
G
G
A
V
L
H
E
G
K
I
A
E
M
K
T
G
E
G
K
T
L
V
A
T
L
A
V
A
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
R
R
D
A
E
W
M
G
P
V
Y
R
G
L
G
L
S
V
G
V
--------------------
I
--------------------
Q
H
A
S
T
P
A
----------
E
R
R
K
A
Y
L
A
D
V
T
Y
V
T
N
S
E
L
G
F
D
Y
L
R
D
N
M
A
I
S
P
D
Q
L
V
L
R
---
H
DHP
L
H
Y
A
I
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
K
A
T
D
L
Y
Y
K
M
A
E
I
A
K
K
L
E
R
G
L
P
A
EPGVRKEP
T
G
D
Y
T
V
E
E
K
N
R
S
V
H
L
T
L
Q
G
I
A
K
A
E
K
L
L
G
I
E
G
L
F
S
P
E
N
M
E
L
A
H
M
L
I
Q
A
I
R
A
K
E
L
Y
H
R
D
R
D
Y
I
V
Q
D
G
Q
V
I
I
V
D
E
F
T
G
R
L
M
P
G
R
R
Y
G
E
G
L
H
Q
A
I
E
A
K
E
G
V
R
I
E
R
E
N
Q
T
L
A
T
I
T
Y
Q
N
F
F
R
L
Y
E
K
R
A
G
M
T
G
T
A
K
T
E
E
K
E
F
Q
E
I
Y
G
M
D
V
V
V
V
P
T
N
R
P
V
I
R
K
D
F
P
D
V
V
Y
R
T
E
K
G
K
F
Y
A
V
V
E
E
I
A
E
K
Y
E
R
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
R
L
S
Q
M
L
K
E
PRLY
L
P
R
L
E
M
R
L
E
L
F
K
K
A
S
QKQQG
P
E
W
E
R
L
R
KLLERPAQLKDEDLAPFEGLIPPKG
N
L
R
T
A
W
E
G
L
K
R
A
V
H
T
L
A
V
L
R
----------------------------------------------------------------------------
Q
G
I
P
H
Q
V
L
N
A
K
H
H
A
R
E
A
E
I
V
A
Q
A
G
R
S
K
T
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
GN
P
E
Y
L
A
A
A
L
L
E
K
EGFDRYEWK
V
E
L
F
I
K
K
M
V
A
GK
E
E
E
A
R
A
L
A
Q
E
L
GIR
E
E
L
L
E
R
I
R
E
I
R
E
E
C
K
Q
D
E
E
------------------------------------------------------------------
R
V
R
A
L
G
G
L
F
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
G
S
R
F
Y
V
S
F
D
D
D
L
M
R
L
-----
F
A
S
D
R
V
I
A
M
L
D
R
M
G
F
D
D
S
E
P
I
E
H
P
M
V
T
R
S
I
E
R
A
Q
K
R
V
E
D
R
N
F
A
I
R
K
Q
L
L
Q
F
D
D
V
L
S
R
Q
R
E
V
I
Y
A
Q
R
R
L
I
L
L
G
K
D
E
E
V
--
K
E
A
A
I
G
M
V
E
E
T
V
A
S
L
----
A
E
-----
N
------
F
L
N
P
--
E
--
V
H
--
P
E
D
W
----
D
L
E
G
--------
L
K
A
T
-
L
------
L
D
T
A
P
Q
L
Q
D
F
P
F
A
E
--
L
-----
R
-
A
L
K
A
E
--
E
A
V
E
R
L
V
E
A
A
L
K
A
Y
E
A
R
E
A
E
L
----
S
P
-
P
L
M
R
-----
A
-----
V
E
R
F
V
I
L
N
V
V
D
N
A
W
K
E
H
L
H
N
L
D
V
L
R
Q
G
I
F
L
R
G
Y
G
Q
K
D
P
F
Q
E
Y
K
I
E
A
T
R
L
F
N
E
M
V
A
F
I
K
S
E
V
A
K
F
L
F
R
L
K
V
E
---------------------
13
PsiBlast_PDB
91.23
36%
-65
- C4 -
2FSH
1
SECA_ECOLI
A:
[5-827]
-----------
R
N
-
D
R
T
L
-
R
-
R
M
R
K
-
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
E
---
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
--------------------
N
L
P
G
--------------------
M
P
A
P
----------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
---
L
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
D
S
-------------------------------------------------------------------------------------------------------------------------------
Q
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
----------------------------------------------------------------------------
T
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
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A
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A
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L
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W
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A
A
LENPT
A
E
Q
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K
I
K
A
D
W
Q
V
R
H
-------------------------------------
D
------------------------------------------------------------------
A
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
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L
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M
E
D
A
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-----
R
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G
M
M
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K
L
G
M
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P
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A
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D
D
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A
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D
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L
L
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V
---
S
D
--
V
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V
-------
F
K
-----
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------
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--
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--
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--
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M
W
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L
------
D
L
-----
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I
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--
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-----
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-
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--
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----
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-----
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-----
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L
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V
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V
R
M
P
E
E
-----------------
25
HHSearch
90.87
38%
-52
* C4 *
2IPC
-
SECA_THET8
A:
[3-939]
--
G
L
L
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L
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N
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-
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-
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---
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L
G
L
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G
V
--------------------
I
Q
H
A
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--------------------
T
P
A
----------
E
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---
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V
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L
S
Q
M
L
----------------------------------------------------------------------------
K
E
PRLY
L
P
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L
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M
R
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QKQQG
P
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G
------------------------------------------------------------------
G
N
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L
A
A
A
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V
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---
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----
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----
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A
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E
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A
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----
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P
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-----
A
-----
V
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R
F
V
I
L
N
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V
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E
A
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L
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N
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M
V
A
F
I
K
S
E
V
A
K
F
L
F
R
L
K
V
E
---------------------