@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 : Rv3285: (2016-05-18 )
MASHAGSRIARISKVLVANRGEIAVRVIRAARDAGLPSVAVYAEPDAESPHVRLADEAFALGGQTSAESYLDFAKILDAAAKSGANAIHPGYGFLAENADFAQAVIDAGLIWIGPSPQSIRDLGDKVTARHIAARAQAPLVPGTPDPVKGADEVVAFAEEYGLPIAIKAAHGGGGKGMKVARTIDEIPELYESAVREATAAFGRGECYVERYLDKPRHVEAQVIADQHGNVVVAGTRDCSLQRRYQKLVEEAPAPFLTDFQRKEIHDSAKRICKEAHYHGAGTVEYLVGQDGLISFLEVNTRLQVEHPVTEETAGIDLVLQQFRIANGEKLDITEDPTPRGHAIEFRINGEDAGRNFLPAPGPVTKFHPPSGPGVRVDSGVETGSVIGGQFDSMLAKLIVHGADRAEALARARRALNEFGVEGLATVIPFHRAVVSDPAFIGDANGFSVHTRWIETEWNNTIEPFTDGEPLDEDARPRQKVVVEIDGRRVEVSLPADLALSNGGGCDPVGVIRRKPKPRKRGAHTGAAASGDAVTAPMQGTVVKFAVEEGQEVVAGDLVVVLEAMKMENPVTAHKDGTITGLAVEAGAAITQGTVLAEIK
Atome Classification :
(57 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---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MASH
A
G
S
R
I
A
R
I
S
K
V
L
VANRGEI
A
V
R
V
I
R
A
A
R
DAGL
P
S
V
A
V
Y
AEPDAESP
H
V
R
L
A
D
E
A
FALG-GQT-
S
-
A
E
S
Y
L
D
F
A
K
I
L
D
A
A
A
KSGANAIHPGYGFLAEN
A
D
F
A
Q
A
V
I
DA
G
L
I
W
IGPS
P
Q
S
I
R
D
L
G
D
K
V
T
A
R
H
I
A
A
RAQAPL-VPGTPDPV-K
G
A
D
E
V
-
V
A
---
F
A
E
EYGL
P
I
A
I
K
A
AHGGGGKG
M
K
V
A
R
T
I
D
E
I
P
E
L
Y
E
S
A
V
R
E
A
T
A
AFG
R
G
E
C
Y
V
E
R
Y
LDKPRH
V
E
A
Q
V
I
ADQHG
N
V
V
V
AGTRD
C
S
L
Q
R
R
Y
Q
K
L
V
E
EAPA
P
F
L
T
D
F
Q
R
K
E
I
H
D
S
A
K
R
I
C
K
E
AHYHGA
G
T
V
E
Y
LV-G-Q-
D
-
G
L
I
S
F
LEVN
T
R
L
Q
V
EHPVTEETA
G
I
D
L
V
L
Q
Q
F
RIAN-----G
E
K
LDI--T-------E-DPTP-R-------G
H
A
I
E
F
R
INGEDAGRNFLPAPGPVTKFH-PPS-GPG
V
R
VDSG-V-ETGSVIG
G
Q
F
D
S
M
L
A
K
L
I
VHGA
D
R
A
E
A
L
A
R
A
R
R
A
L
N
E
FGV
E
G
L
A
T
V
I
P
F
H
R
A
VVSDP
A
F
I------------------------------------------G---DANG
F
S
---------------------
V
H
T
R
W
I
--------E--TEWNNTIEPF---T-------D--------------G-----EP---LDED---------------A----R--------PR
Q
---
K
V
V
V
E
IDG
R
---
R
V
E
V
SL----------P-----------
A
------------
D
-
L
A
---------------------LSNGGGCD--------------------P
V
G
V
IRRKPKPR-KRGAHTGAAASGD---------AVTAPMQG
T
V
V
K
F
A
VEEGQEVVA
G
D
L
V
V
V
L
E
A
M
KMENPVTAHKDG
T
I
T
G
L
A
VEAGAAITQ
G
T
V
L
A
EIK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
131
HHSearch
91.37
40%
-72
- C3 -
3N6R
1
?
A:
[2-681]
-----------
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
G
-
P
P
P
-
A
-
N
Q
S
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
T
-
V
P
G
--------------------------------------------------------------------------
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
F
L
D
E
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
-
D
-
G
-
Q
-
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
A
-----
G
E
P
L
S
I
T-
Q
-------
G
-
D
V
K
L
-
T
-------
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
-
P
P
A
-
E
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
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L
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A
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L
D
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V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
------------------------------------------
S
---
G
D
-------------------------
M
T
T
A
F
I
--------
A
--
E
E
Y
P
E
G
F
E
G
V
N
L
P
E
T
D
L
R
R
--
V
A
A
A
A
A
A
M
H
------
R
V
A
E
I
R
R
T
---
R
V
S
G
RM-------------
D
NH
E
R
R
--------
V
G
T
---
E
W
V
V
T
L
Q
G
A
---
D
F
P
V
T
I
----------
A
A
D
HD
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
DWTP
G
D
Q
L
A
N
-------------------
L
M
V
D
G
A
P
L
V
L
K
V
G
K
I
SG
G
F
R
I
R
T
R
G
A
D
L
K
V
H
V
R
T
P
R
Q
A
E
L
A
R
L
M
P
E
K
L
P
P
D
T
S
K
---------
M
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
142
HHSearch
86.42
46%
-71
- C3 -
2VPQ
4
?
A:
[2-445]
------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
-
P
T
L
-
S
-
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
-
V
P
G
S
D
G
L
M
-
K
D
V
S
E
A
-
K
K
---
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
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I
Q
I
V
G
D
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Y
G
N
V
I
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L
G
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R
D
C
T
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Q
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K
L
V
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E
A
P
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P
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L
D
D
E
T
R
R
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M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
-
D
-
L
N
D
-
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
-----
G
D
V
L
P
Y
--
K
Q------
E
-
D
I
K
L
-
T
-------
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
-
A
P
G
-
G
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
------------------------------------------
S
---
G
K
-------------------------
F
N
T
N
F
L
--------
E
--
Q
N
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
132
HHSearch
86.03
43%
-72
- C3 -
3U9T
-
?
A:
[46-639]
--------
Y
R
S
I
Q
R
L
L
V
A
N
R
G
E
I
A
C
R
V
M
R
S
A
R
A
L
G
I
G
S
V
A
V
H
S
D
I
D
R
H
A
R
H
V
A
E
A
D
I
A
V
D
L
G
-
G
A
K
-
P
-
A
D
S
Y
L
R
G
D
R
I
I
A
A
A
L
A
S
G
A
Q
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
R
A
C
E
E
A
G
L
L
F
L
G
P
P
A
A
A
I
D
A
M
G
S
K
S
A
A
K
A
L
M
E
E
A
G
V
P
L
-
V
P
G
Y
H
G
E
A
-
Q
D
L
E
T
F
-
R
R
---
E
A
G
R
I
G
Y
P
V
L
L
K
A
A
A
------
M
K
V
V
E
R
E
A
E
L
A
E
A
L
S
S
A
Q
R
--------
A
R
M
L
V
E
K
Y
L
L
K
P
R
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V
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I
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A
D
R
H
G
H
C
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Y
L
N
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D
C
S
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R
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Q
K
V
V
E
E
A
P
A
P
G
L
G
A
E
L
R
R
A
M
G
E
A
A
V
R
A
A
Q
A
I
G
Y
V
G
A
G
T
V
E
F
L
L
-
D
-
E
-
R
-
G
Q
F
F
F
M
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M
N
T
R
L
Q
V
E
H
P
V
T
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A
I
T
G
L
D
L
V
A
W
Q
I
R
V
A
R
-----
G
E
A
L
P
L
T-
Q
-------
E
-
Q
V
P
L
-
N
-------
G
H
A
I
E
V
R
L
Y
A
E
D
P
E
G
D
F
L
P
A
S
G
R
L
M
L
Y
R
-
E
A
A
A
G
P
G
R
R
V
D
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G
-
V
-
R
E
G
D
E
V
S
P
F
Y
D
P
M
L
A
K
L
I
A
W
G
E
T
R
E
E
A
R
Q
R
L
L
A
M
L
A
E
T
S
V
G
G
L
R
T
N
L
A
F
L
R
R
I
L
G
H
P
A
F
A
------------------------------------------
A
---
A
E
-------------------------
L
D
T
G
F
I
--------
A
--
R
H
Q
D
D
L
L
P
A
P
QAL
P
E
H
F
W
Q
A
A
A
E
A
W
L
Q
S
E
PGHRRDD
D
-----
P
H
---
S
P
W
S
---------------
R
----
N
DGWRSAL
A
R
E
S
---
D
L
M
L
R
C
R
D
E
---
R
R
C
V
R
L
R
H
ASPSQ
Y
R
L
D
-----------
G
------------
D
-
D
L
V
S
R
VDG
V
T
R
R
S
A
A
L
R
R
G
R
Q
L
F
L
E
W
E
G
E
L
L
--------------------
A
I
E
A
V
--
D
P
I
-----
A
E
A
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
86.02
46%
-72
- C3 -
2VPQ
4
?
B:
[2-431]
------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
-
P
T
L
-
S
-
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
-
V
P
G
S
D
G
L
M
-
K
D
V
S
E
A
-
K
K
---
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
-
D
L
N
-
D
-
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
-----
G
D
V
L
P
Y
--
K
Q------
E
-
D
I
K
L
-
T
-------
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
-
A
P
G
-
G
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.01
40%
-69
- C3 -
3U9S
1
?
A:
[28-670]
-----------
I
Q
R
L
L
V
A
N
R
G
E
I
A
C
R
V
M
R
S
A
R
A
L
G
I
G
S
V
A
V
H
S
D
I
D
R
H
A
R
H
V
A
E
A
D
I
A
V
D
L
G
-
G
A
K
-
P
-
A
D
S
Y
L
R
G
D
R
I
I
A
A
A
L
A
S
G
A
Q
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
R
A
C
E
E
A
G
L
L
F
L
G
P
P
A
A
A
I
D
A
M
G
S
K
S
A
A
K
A
L
M
E
E
A
G
V
P
L
-
V
P
G
Y
H
G
E
A
-
Q
D
L
E
T
F
-
R
R
---
E
A
G
R
I
G
Y
P
V
L
L
K
A
A
A
------
M
K
V
V
E
R
E
A
E
L
A
E
A
L
S
S
A
Q
R
--------
A
R
M
L
V
E
K
Y
L
L
K
P
R
H
V
E
I
Q
V
F
A
D
R
H
G
H
C
L
Y
L
N
E
R
D
C
S
I
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
L
G
A
E
L
R
R
A
M
G
E
A
A
V
R
A
A
Q
A
I
G
Y
V
G
A
G
T
V
E
F
L
L
-
D
-
E
-
R
-
G
Q
F
F
F
M
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
A
I
T
G
L
D
L
V
A
W
Q
I
R
V
A
R
-----
G
E
A
L
P
L
--
T
-------
Q
-
E
Q
V
P
L
N
-------
G
H
A
I
E
V
R
L
Y
A
E
D
P
E
G
D
F
L
P
A
S
G
R
L
M
L
Y
R
E
A
A
A
-
G
P
G
R
R
V
D
S
G
-
V
-
R
E
G
D
E
V
S
P
F
Y
D
P
M
L
A
K
L
I
A
W
G
E
T
R
E
E
A
R
Q
R
L
L
A
M
L
A
E
T
S
V
G
G
L
R
T
N
L
A
F
L
R
R
I
L
G
H
P
A
F
A
------------------------------------------
A
AEL
D
T
G
F
I
A
---------------------
R
H
Q
D
D
L
L
P
A
P
Q
ALP
E
--
H
F
W
Q
A
A
A
E
A
W
---
L
-------
Q
--------------
S
-----
E
P
GHR
R
D
D
D
PHSPWSRNDGWRSAL
A
----
R
--------
E
S
D
---
L
M
L
R
C
R
D
E
R
RC
V
R
L
R
H
A
S
----------
P
-----------
S
------------
Q
-
Y
R
---------------------
L
D
G
D
D
L
V
S
--------------------
R
V
D
G
V
T
R
R
S
A
A
L
-
R
R
G
R
Q
L
F
L
E
W
E
G
E
L
L
A
I
E
A
V
DG
G
L
S
A
P
M
N
G
S
I
V
R
V
L
V
E
P
G
Q
T
V
E
A
G
A
T
L
V
V
L
E
A
M
K
M
E
H
S
I
R
A
P
H
A
G
V
V
K
A
L
Y
C
S
E
G
E
L
V
E
E
G
T
P
L
V
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
144
HHSearch
85.93
46%
-73
- C3 -
4MV4
5
ACCC_HAEIN
A:
[21-465]
----------
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
V
S
N
D
I
A
K
N
-
K
E
---
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
G
G
---
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
-
E
-
N
---
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
-------
Q
E
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
------------------------------------------
K
---
G
G
-------------------------
T
N
I
H
Y
L
--------
E
--
K
K
L
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.77
46%
-72
- C3 -
2VPQ
4
?
A:
[2-431]
------------
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
-
P
T
L
-
S
-
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
-
V
P
G
S
D
G
L
M
-
K
D
V
S
E
A
-
K
K
---
I
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
-
D
L
N
-
D
-
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
-----
G
D
V
L
P
Y
--
K
Q------
E
-
D
I
K
L
-
T
-------
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
-
A
P
G
-
G
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
84.78
46%
-72
- C3 -
4MV4
5
ACCC_HAEIN
A:
[22-458]
-----------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
V
---
S
N
D
I
-
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
G
---
G
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
Q------
E
-
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
-----------------------------------------------
Q
K
G
G
T
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
84.53
46%
-75
- C3 -
4MV3
3
ACCC_HAEIN
A:
[22-458]
-----------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
V
---
S
N
D
I
-
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
Q------
E
-
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
-----------------------------------------------
Q
K
G
G
T
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
121
Fugue
84.43
37%
-67
- C3 -
3N6R
1
?
A:
[2-681]
-----------
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
G
-
P
P
P
-
A
-
N
Q
S
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
------------------------------------------------------
P
P
K
G
A
I
E
A
M
---------------------
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
T
V
P
G
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
F
L
D
E
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
-
D
-
G
-
Q
-
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
A
-----
G
E
P
L
S
I
--
T
Q------
G
-
D
V
K
L
-
T
-------
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
-
P
P
A
-
E
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
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E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
GDMTTA
F
I
A
E
E
Y
P
EGFE
G
V
N
L
P
E
T
D
L
R
R
V
A
A
A
A
A
A
M
H
R
V
A
E
I
---
R
R
T
R
V
S
GRMDNH
E
R
R
V
G
T
E
W
V
V
T
L
QGA
D
F
P
V
T
I
--------
A
--
A
D
H
D
G
S
T
V
S
F
---
D
-------
D
--------------
G
-----
S
S
---
M
R
V
T
---------------
S
----
D
--------
W
T
P
GDQ
L
A
N
L
M
V
D
G
A
---
P
L
V
L
K
V
----------
G
-----------
K
I
SG---------
G
-
F
R
---------------------
I
R
T
R
G
A
D
L
--------------------
K
V
H
V
R
T
P
R
Q
A
E
L
-
A
R
L
M
P
E
K
L
P
P
D
T
S
K--------
M
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
143
HHSearch
84.41
41%
-77
- C3 -
3OUZ
15
?
A:
[2-446]
-------
N
A
M
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
-
K
A
R
-
S
-
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
V
-
I
P
G
S
D
G
A
L
-
A
G
A
E
A
A
-
K
K
---
L
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
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K
Y
I
Q
N
P
R
H
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V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
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E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
-
D
-
K
-
N
-
L
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
-----
G
Y
A
L
P
S
--
Q
-------
E
-
S
I
K
L
-
N
-------
G
H
S
I
E
C
R
I
T
A
E
D
S
K
-
T
F
L
P
S
P
G
K
I
T
K
Y
I
-
P
P
A
-
G
R
N
V
R
M
E
S
H
-
C
-
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
M
E
N
P
D
F
I
------------------------------------------
N
---
N
N
-------------------------
Y
D
T
N
Y
L
--------
A
--
R
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
140
HHSearch
84.36
44%
-77
- C3 -
2DZD
-
?
A:
[3-459]
--------
T
R
R
I
R
K
V
L
V
A
N
R
G
E
I
A
I
R
V
F
R
A
C
T
E
L
G
I
R
T
V
A
I
Y
S
K
E
D
V
G
S
Y
H
R
Y
K
A
D
E
A
Y
L
V
G
-
E
G
K
K
P
-
I
E
A
Y
L
D
I
E
G
I
I
E
I
A
K
A
H
D
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
I
Q
F
A
K
R
C
R
E
E
G
I
I
F
I
G
P
N
E
N
H
L
D
M
F
G
D
K
V
K
A
R
H
A
A
V
N
A
G
I
P
V
-
I
P
G
S
D
G
P
V
-
D
G
L
E
D
V
-
V
A
---
F
A
E
A
H
G
Y
P
I
I
I
K
A
A
L
G
G
G
G
R
G
M
R
I
V
R
S
K
S
E
V
K
E
A
F
E
R
A
K
S
E
A
K
A
A
F
G
S
D
E
V
Y
V
E
K
L
I
E
N
P
K
H
I
E
V
Q
I
L
G
D
Y
E
G
N
I
V
H
L
Y
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
V
S
L
S
D
E
L
R
Q
R
I
C
E
A
A
V
Q
L
M
R
S
V
G
Y
V
N
A
G
T
V
E
F
L
V
-
S
-
G
---
D
E
F
Y
F
I
E
V
N
P
R
I
Q
V
E
H
T
I
T
E
M
I
T
G
I
D
I
V
Q
S
Q
I
L
I
A
D
-----
G
C
S
L
H
S
--
H
EVGIPKQ
E
-
D
I
R
I
-
N
-------
G
Y
A
I
Q
S
R
V
T
T
E
D
P
L
N
N
F
M
P
D
T
G
K
I
M
A
Y
R
-
S
G
G
-
G
F
G
V
R
L
D
A
G
N
G
-
F
Q
G
A
V
I
T
P
Y
Y
D
S
L
L
V
K
L
S
T
W
A
L
T
F
E
Q
A
A
R
K
M
L
R
N
L
R
E
F
R
I
R
G
I
K
T
N
I
P
F
L
E
N
V
V
Q
H
P
K
F
L
------------------------------------------
S
---
G
E
-------------------------
Y
D
T
S
F
I
--------
D
--
T
T
P
E
L
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
84.36
45%
-75
- C3 -
3RUP
5
ACCC_ECOLI
A:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
84.18
42%
-70
- C3 -
4HNT
1
?
C:
[26-474]
----------
Q
I
K
K
L
L
V
A
N
R
G
E
I
A
I
R
I
F
R
A
A
A
E
L
D
I
S
T
V
A
I
Y
S
N
E
D
K
S
S
L
H
R
Y
K
A
D
E
S
Y
L
V
G
-
S
D
L
-
G
P
A
E
S
Y
L
N
I
E
R
I
I
D
V
A
K
Q
A
N
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
E
Q
F
A
R
R
C
A
E
E
G
I
K
F
I
G
P
H
L
E
H
L
D
M
F
G
D
K
V
K
A
R
T
T
A
I
K
A
D
L
P
V
-
I
P
G
T
D
G
P
I
-
K
S
Y
E
L
A
-
K
E
---
F
A
E
E
A
G
F
P
L
M
I
K
A
T
S
G
G
G
G
K
G
M
R
I
V
R
E
E
S
E
L
E
D
A
F
H
R
A
K
S
E
A
E
K
S
F
G
N
S
E
V
Y
I
E
R
Y
I
D
N
P
K
H
I
E
V
Q
V
I
G
D
E
H
G
N
I
V
H
L
F
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
V
G
L
S
P
T
L
R
Q
R
I
C
D
A
A
I
Q
L
M
E
N
I
K
Y
V
N
A
G
T
V
E
F
L
V
-
S
-
G
-
D
-
E
F
F
-
F
I
E
V
N
P
R
V
Q
V
E
H
T
I
T
E
M
V
T
G
I
D
I
V
K
T
Q
I
L
V
A
A
GADLF
G
E
E
I
N
M
PQ
Q
-------
K
-
D
I
T
T
-
L
-------
G
Y
A
I
Q
C
R
I
T
T
E
D
P
L
N
D
F
M
P
D
T
G
T
I
I
A
Y
R
-
S
S
G
-
G
A
G
V
R
L
D
A
G
-
D
G
F
Q
G
A
E
I
S
P
Y
Y
D
S
L
L
V
K
L
S
T
H
A
I
S
F
K
Q
A
E
E
K
M
V
R
S
L
R
E
M
R
I
R
G
V
K
T
N
I
P
F
L
I
N
V
M
K
N
K
K
F
T
S
-----------------------------------------
G
---
D
Y
T
--------------------------
T
K
F
I
--------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
84.17
45%
-73
- C3 -
3G8C
4
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
84.16
45%
-75
- C3 -
2DZD
-
?
A:
[5-443]
----------
R
I
R
K
V
L
V
A
N
R
G
E
I
A
I
R
V
F
R
A
C
T
E
L
G
I
R
T
V
A
I
Y
S
K
E
D
V
G
S
Y
H
R
Y
K
A
D
E
A
Y
L
V
G
E
G
K
K
-
P
-
I
E
A
Y
L
D
I
E
G
I
I
E
I
A
K
A
H
D
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
I
Q
F
A
K
R
C
R
E
E
G
I
I
F
I
G
P
N
E
N
H
L
D
M
F
G
D
K
V
K
A
R
H
A
A
V
N
A
G
I
P
V
-
I
P
G
S
D
G
P
V
-
D
G
L
E
D
V
-
V
A
---
F
A
E
A
H
G
Y
P
I
I
I
K
A
A
L
G
G
G
G
R
G
M
R
I
V
R
S
K
S
E
V
K
E
A
F
E
R
A
K
S
E
A
K
A
A
F
G
S
D
E
V
Y
V
E
K
L
I
E
N
P
K
H
I
E
V
Q
I
L
G
D
Y
E
G
N
I
V
H
L
Y
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
V
S
L
S
D
E
L
R
Q
R
I
C
E
A
A
V
Q
L
M
R
S
V
G
Y
V
N
A
G
T
V
E
F
L
V
-
S
-
G
-
D
-
E
F
-
Y
F
I
E
V
N
P
R
I
Q
V
E
H
T
I
T
E
M
I
T
G
I
D
I
V
Q
S
Q
I
L
I
A
D
-----
G
C
S
L
H
S
--
H
-------
E
-
V
G
I
P
-
K
QED
I
R
I
N
G
Y
A
I
Q
S
R
V
T
T
E
D
P
L
N
N
F
M
P
D
T
G
K
I
M
A
Y
R
-
S
G
G
-
G
F
G
V
R
L
D
A
G
-
N
G
F
Q
G
A
V
I
T
P
Y
Y
D
S
L
L
V
K
L
S
T
W
A
L
T
F
E
Q
A
A
R
K
M
L
R
N
L
R
E
F
R
I
R
G
I
K
T
N
I
P
F
L
E
N
V
V
Q
H
P
K
F
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
84.14
47%
-70
- C3 -
2VQD
3
ACCC_PSEAE
A:
[2-438]
-----------
L
E
K
V
L
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
E
L
M
H
L
S
L
A
D
E
S
V
C
I
G
-
P
A
P
-
A
-
T
Q
S
Y
L
Q
I
P
A
I
I
A
A
A
E
V
T
G
A
T
A
I
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
Q
I
E
R
S
G
F
T
F
V
G
P
T
A
E
V
I
R
L
M
G
D
K
V
S
A
K
D
A
M
K
R
A
G
V
P
T
-
V
P
G
S
D
G
P
L
-
P
E
D
E
E
T
A
L
A
---
I
A
R
E
V
G
Y
P
V
I
I
K
A
A
G
G
G
G
G
R
G
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
A
A
F
G
N
P
M
V
Y
L
E
K
F
L
T
N
P
R
H
V
E
V
Q
V
L
S
D
G
Q
G
N
A
I
H
L
G
D
R
D
C
S
L
Q
R
R
H
Q
K
V
I
E
E
A
P
A
P
G
I
D
E
K
A
R
Q
E
V
F
A
R
C
V
Q
A
C
I
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
R
F
Y
F
I
E
M
N
T
R
V
Q
V
E
H
P
V
S
E
M
V
T
G
V
D
I
V
K
E
M
L
R
I
A
S
-----
G
E
K
L
S
I
R-
Q
-------
E
-
D
V
V
I
-
R
-------
G
H
A
L
E
C
R
I
N
A
E
D
P
-
K
T
F
M
P
S
P
G
K
V
K
H
F
H
-
A
P
G
-
G
N
G
V
R
V
D
S
H
-
L
-
Y
S
G
Y
S
V
P
P
N
Y
D
S
L
V
G
K
V
I
T
Y
G
A
D
R
D
E
A
L
A
R
M
R
N
A
L
D
E
L
I
V
D
G
I
K
T
N
T
E
L
H
K
D
L
V
R
D
A
A
F
C
-----------------------------------------------
K
G
G
V
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
84.01
45%
-73
- C3 -
3RV4
10
ACCC_ECOLI
A:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
E
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
83.99
42%
-76
- C3 -
3BG5
1
?
C:
[26-520]
----------
Q
I
K
K
L
L
V
A
N
R
G
E
I
A
I
R
I
F
R
A
A
A
E
L
D
I
S
T
V
A
I
Y
S
N
E
D
K
S
S
L
H
R
Y
K
A
D
E
S
Y
L
V
G
-
S
D
L
-
G
P
A
E
S
Y
L
N
I
E
R
I
I
D
V
A
K
Q
A
N
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
E
Q
F
A
R
R
C
A
E
E
G
I
K
F
I
G
P
H
L
E
H
L
D
M
F
G
D
K
V
K
A
R
T
T
A
I
K
A
D
L
P
V
-
I
P
G
T
D
G
P
I
-
K
S
Y
E
L
A
-
K
E
---
F
A
E
E
A
G
F
P
L
M
I
K
A
T
S
G
G
G
G
K
G
M
R
I
V
R
E
E
S
E
L
E
D
A
F
H
R
A
K
S
E
A
E
K
S
F
G
N
S
E
V
Y
I
E
R
Y
I
D
N
P
K
H
I
E
V
Q
V
I
G
D
E
H
G
N
I
V
H
L
F
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
V
G
L
S
P
T
L
R
Q
R
I
C
D
A
A
I
Q
L
M
E
N
I
K
Y
V
N
A
G
T
V
E
F
L
V
-
S
-
G
-
D
-
E
F
F
-
F
I
E
V
N
P
R
V
Q
V
E
H
T
I
T
E
M
V
T
G
I
D
I
V
K
T
Q
I
L
V
A
A
GADLF
G
E
E
I
N
M
PQ
Q
-------
K
-
D
I
T
T
-
L
-------
G
Y
A
I
Q
C
R
I
T
T
E
D
P
L
N
D
F
M
P
D
T
G
T
I
I
A
Y
R
-
S
S
G
-
G
F
G
V
R
L
D
A
G
-
D
G
F
Q
G
A
E
I
S
P
Y
Y
D
S
L
L
V
K
L
S
T
H
A
I
S
F
K
Q
A
E
E
K
M
V
R
S
L
R
E
M
R
I
R
G
V
K
T
N
I
P
F
L
I
N
V
M
K
N
K
K
F
T
S
-----------------------------------------
G
---
D
Y
T
--------------------------
T
K
F
I
--------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
83.75
45%
-75
- C3 -
2V58
2
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
83.72
45%
-76
- C3 -
3RV3
3
ACCC_ECOLI
A:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
83.67
45%
-74
- C3 -
2W6N
2
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
83.63
45%
-75
- C3 -
2W6Q
2
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
83.53
45%
-74
- C3 -
3G8C
4
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
83.46
45%
-78
- C3 -
3RV3
3
ACCC_ECOLI
B:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
123
Fugue
83.41
34%
-56
- C3 -
3VA7
10
?
A:
[28-1236]
--------
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
-
G
R
T
-
A
-
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
-------------------------------------------------------------
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
--------------
S
A
R
E
I
A
E
R
A
K
V
P
---
L
V
P
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
-
Q
-
R
-
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
-----
N
D
S
P
D
F
--
D
-------
N
T
K
I
E
V
-
S
-------
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
-
F
P
---
S
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
------------------------------------------
E
---
A
----
K
---------------------
V
A
T
K
V
L
--------
D
SF
D
Y
K
P
C
A
F
E
V
L
---
A
-------
P
--------------
G
-----
A
N
---
T
---------------------------------------
S
V
Q
D
Y
P
G
R
---
T
----------------------------------------------------------------------
G
Y
W
--------------------
R
I
G
V
P
P
S
G
P
M
D
--
S
Y
S
F
R
L
A
N
R
V
V
G
N
---------
N
S
K
S
P
----
A
L
E
I
T
L
N
G
P
K
L
L
F
H
T
E
T
V
I
A
V
S
G
G
T
V
S
C
T
L
N
D
A
Q
I
A
Q
N
E
P
I
E
V
K
R
G
D
I
L
S
V
G
K
V
T
V
G
C
R
A
Y
L
S
I
RG
G
I
D
V
P
E
Y
LGSRSTFAMGNMGGYNGRILKLG
D
V
L
F
L
N
QPELSVSSLPAPDFEPQAAPKSL
L
P
T
L
S
TNK
D
W
K
I
G
V
T
C
GPHGSIDLFK
E
E
Y
I
E
Q
F
F
N
D
K
W
K
V
H
YNSNRF
G
V
R
L
I
G
P
K
P
K
W
ARSDGGEAGLHPSNAH
D
Y
V
Y
S
LGAINFTGD
E
P
V
I
I
T
CDGPSLGGFVCQAVVAEAE
L
W
K
V
G
Q
LTPG
D
T
I
Q
F
V
P
L
S
Y
G
V
A
R
Q
L
K
E
S
Q
D
K
S
I
D
NFEEGSLLELSDDKILPKYENPIL
A
V
L
P
KKSDLS
P
K
V
T
Y
R
Q
A
G
DR
Y
I
L
V
E
Y
G
ELEFD
L
N
I
C
Y
R
I
N
R
L
I
H
Q
V
E
R
H
QTVGIV
E
M
S
Q
G
VR
S
V
L
I
E
F
D
GSKIN
Q
K
A
L
L
K
C
L
I
A
Y
E
S
E
I
Q
F
D
KN
W
N
V
K
S
K
I
F
K
L
P
M
A
F
ED
S
K
T
L
D
C
V
T
R
Y
R
E
TIRSEAPWLPN
N
V
D
F
I
A
D
V
N
DID
R
N
D
V
K
N
M
L
Y
S
A
K
F
M
V
LGLGDVFLGSPCAVPLDPRH
R
Y
L
G
T
K
Y
NPSRTYTARG
V
V
G
I
G
GM
Y
M
C
I
YNAEGSPGGYQLV
G
R
T
I
TAWDKLVIGDHPIDHPWLLTPF
D
Q
V
E
F
Y
P
V
T
E
E
E
L
E
V
I
I
E
D
N
D
N
GKFKID
V
E
E
S
I
F
D
H
K
E
Y
L
A
W
I
N
E
N
I
D
S
I
V
A
F
Q
E
A
QGG
E
K
A
D
E
F
A
R
L
I
Q
VANAELKKSEEYPDDAE
L
L
Y
S
E
Y
T
G
R
FWKPVAAVG
D
H
V
E
AGDGVIIIEAMKTE
M
V
V
G
A
T
K
S
G
K
VYKILHKNG
D
M
V
E
AGDLVAVIV
47
PsiBlast_CBE
83.33
45%
-76
- C3 -
2W6M
2
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
83.32
46%
-76
- C3 -
4MV1
4
ACCC_HAEIN
A:
[22-458]
-----------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
V
---
S
N
D
I
-
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
--------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
Q------
E
-
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
-----------------------------------------------
Q
K
G
G
T
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
83.25
45%
-74
- C3 -
3G8D
3
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
A
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
83.16
45%
-75
- C3 -
2W70
2
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
83.14
45%
-73
- C3 -
2W6Z
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
83.13
45%
-74
- C3 -
2W71
2
ACCC_ECOLI
C:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
83.05
46%
-72
- C3 -
4MV8
2
ACCC_HAEIN
A:
[22-458]
-----------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
V
---
S
N
D
I
-
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
-----
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
----------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
Q------
E
-
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
-----------------------------------------------
Q
K
G
G
T
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
83.03
45%
-72
- C3 -
3JZI
1
ACCC_ECOLI
B:
[23-451]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
83.02
45%
-72
- C3 -
2W6Q
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
82.99
45%
-77
- C3 -
2VR1
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
--
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
82.96
45%
-73
- C3 -
2V59
1
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
82.95
45%
-73
- C3 -
2W71
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
82.87
45%
-75
- C3 -
3RUP
6
ACCC_ECOLI
B:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
82.86
45%
-75
- C3 -
2V59
1
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
82.85
45%
-72
- C3 -
2W6M
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
82.85
45%
-73
- C3 -
2W6P
1
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
82.84
45%
-72
- C3 -
3JZF
1
ACCC_ECOLI
B:
[23-451]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
82.68
46%
-72
- C3 -
4RZQ
2
ACCC_HAEIN
A:
[22-458]
-----------
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
-
P
A
P
-
S
-
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
---------
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
----------
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
----------
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
-----
G
L
P
I
S
F
--
K
Q------
E
-
D
I
K
V
-
K
-------
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
F
L
P
S
P
G
K
V
N
H
L
H
-
S
P
G
-
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
-----------------------------------------------
Q
K
G
G
T
N
---------------------
I
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
82.57
45%
-71
- C3 -
2V58
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
82.54
45%
-72
- C3 -
2V5A
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
82.52
45%
-73
- C3 -
2W70
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
82.36
45%
-72
- C3 -
3JZI
1
ACCC_ECOLI
A:
[23-451]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
82.30
45%
-72
- C3 -
1DV2
1
ACCC_ECOLI
B:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
82.29
45%
-73
- C3 -
2W6N
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
82.25
45%
-74
- C3 -
2J9G
3
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
--
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
82.21
45%
-72
- C3 -
1DV2
1
ACCC_ECOLI
A:
[5-433]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
-------
Q
-
E
E
V
H
V
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
81.85
45%
-74
- C3 -
2W6O
2
ACCC_ECOLI
A:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
81.69
45%
-75
- C3 -
2W6O
2
ACCC_ECOLI
C:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
80.78
45%
-74
- C3 -
2J9G
3
ACCC_ECOLI
B:
[2-430]
-----------
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
-
P
A
P
-
S
-
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
-
V
P
G
S
D
G
P
L
G
D
D
M
D
K
N
-
R
A
---
I
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
--
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
---
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
---
E
-
N
-
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
-----
G
Q
P
L
S
I
--
K
Q------
E
-
E
V
H
V
-
R
-------
G
H
A
V
E
C
R
I
N
A
E
D
P
N
-
T
F
L
P
S
P
G
K
I
T
R
F
H
-
A
P
G
-
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
74.38
42%
-72
- C3 -
3VA7
5
?
A:
[28-466]
-------
K
-
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
-
G
R
T
-
A
-
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
L
-
V
P
-----------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
-
D
E
Q
-
R
-
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
-----
N
D
S
P
D
F
--
D
-------
N
-
T
K
I
E
V
S
-------
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
-
F
P
S
---
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
139
HHSearch
73.66
41%
-69
- C3 -
3VA7
5
?
A:
[28-480]
--------
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
-
G
R
T
-
A
-
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
L
V
P
------------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
-
D
-
E
-
Q
R
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
-----
N
D
S
P
D
F
--
D
-------
N
T
K
I
E
V
-
S
-------
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
-
F
P
S
---
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
------------------------------------------
E
---
A
K
-------------------------
V
A
T
K
V
L
--------
D
--
S
F
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------