@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 : Rv2501c: (2016-05-11 )
MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Atome Classification :
(56 SA)
--.........10........20........30........40........50....-....60........70........80........90........100.......110.......120.......130.......-.140.--...--.--..-150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.....--..270.......280.......290.......300.......310.......320.....------..330.......340.......350.......360-..-.....370.-......380.......390.......400.......410.......420.......430.......440....-----...450..-.....-----460.......470----.......---.480.......490.....-..500.......510.-......520.......530-.......540.......550.......560.-......570.......580.-......590.......600-----.......610.......620.......630....-...640.......650..-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--MF
D
T
V
L
V
ANR
G
E
I
A
V
R
V
I
R
T
L
R
RLGI
R
S
V
A
V
YSDPDV
D
A
R
H
V
LEADA
A
V
RLGPAP-
A
R
E
S
Y
L
D
I
G
K
V
L
D
A
A
A
RTGAQAIHPGYGFLAENA
D
F
A
A
A
CER
A
R
V
V
F
LGPP
A
R
A
I
E
V
MGDKIAAKNA
V
A
A
FDVPV-VPG
V
A
RAG-LT
D
D
A
--
L
V
T
--
A
--
A
A
-EVG
Y
P
V
L
I
K
PSAGGGGKG
M
R
LVQ
D
P
A
R
L
P
E
A
L
V
S
A
R
R
E
A
M
S
SFGD
D
T
L
F
L
E
R
F
VLRP
R
H
I
E
V
Q
V
L
ADAHG
N
V
V
H
LG
E
R
E
C
S
L
Q
R
R
H
Q
K
V
I
E
EAPSPLL
D
P
Q
T
R
E
RIGVAACN
T
A
R
C
V
D
--
Y
VGAG
T
V
E
F
I
V
SAQRP
D
E
F
F
F
M
EMN
T
R
L
Q
V
EHP
V
T
E
A
ITGL
D
L
V
E
W
Q
L
RVGAGEKLGFAQ------ND
I
E
LR
G
H
A
I
E
A
R
V
Y
AED
P
A
R
E
FLPTG
G
R
V
L
A
V
FE-PA-GPG
V
R
VDSS-LLG
G
T
VVGSD
Y
D
P
L
L
T
K
V
I
AHGA
D
R
E
E
A
L
D
R
L
D
Q
A
L
A
R
T
A
VLGVQT
N
V
E
F
L
R
F
L
L
ADE
R
V
RVGDL
D
T
A
V
L
DER-----SADFTARP-AP
D
D
V
-----
L
AAG
G
L
Y
R
Q
W
A
L
-----
A
R
RAQGD---LWAAPSGWRGGG
H
M
A
P
V
R
T
-
A
M
RTPLRSE
T
V
S
V
WGP-PES
A
Q
V
Q
VGDG
E
I
D
C
A
S
V
Q
-
V
T
R
E
Q
M
S
V
T
I
S
G
L
RRDYRWAEAD
R
H
L
W
I
ADE-RG
T
W
HLR
E
A
E
E
H
K
I
H
R
A
VGA-
R
P
A
E
V
VSPMPG
S
V
I
A
V
Q
VE-----SGSQISAG
D
V
V
V
V
V
E
A
M
K
M
E
H
SLEAPVSG
R
V
Q
V
L
-
V
SVGD
Q
V
K
V
E
Q
V
L
A
R
IKD-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
86.39
46%
-87
- C2 -
3U9S
1
?
A:
[31-662]
------
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
A
E
L
D
T
G
F
I
A
R
H
-----
Q
D
D
L
L
--
P
-
A
P
Q
A
L
PE
H
F
W
Q
A
A
A
E
A
W
L
Q
S
E
P
-----
G
H
R
R
D
D
D
PHS
P
W
S
R
N
D
G
W
R
S
A
---
L
A
R
E
S
-
D
L
M
L
R
C
R
D
E
R
R
C
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
D
-------------
G
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
128
HHSearch
84.56
46%
-85
- C2 -
3U9T
-
?
A:
[48-639]
--
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
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
A
E
L
D
T
G
F
I
A
R
H
-----
Q
D
D
L
L
P
A
P
Q
A
L
P
E
H
-----
F
W
Q
A
A
A
E
A
W
L
Q
S
E
PGHR
R
D
D
D
P
H
S
---
P
W
S
R
N
D
G
W
R
S
A
L
A
R
E
--
S
D
L
M
L
R
C
R
D
E
R
R
C
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
D
P
I
A
E
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.07
46%
-81
- C2 -
3U9T
-
?
A:
[52-639]
------
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
A
E
L
D
T
G
F
I
A
R
H
-----
Q
D
D
L
L
--
P
-
A
P
Q
A
L
P
E
H
F
W
Q
A
A
A
E
A
W
L
Q
S
E
P
-----
G
H
R
R
D
D
D
PHS
P
W
S
R
N
D
G
W
R
S
A
---
L
A
R
E
S
-
D
L
M
L
R
C
R
D
E
R
R
C
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
D
P
I
A
E
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
121
Fugue
83.91
38%
-67
- C2 -
3VA7
10
?
A:
[28-1236]
KK
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
DYKPC
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
R
G
G
I
D
V
P
E
Y
L
G
S
R
S
T
F
A
M
G
NMGGY
N
G
R
I
L
K
L
G
D
V
L
F
L
N
Q
P
E
L
S
V
S
S
L
P
A
P
D
F
E
P
Q
A
A
P
----------
K
S
L
L
P
T
L
S
T
NK
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
139
HHSearch
82.71
46%
-79
- C2 -
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
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
R
S
G
K
F
N
T
N
F
L
E
Q
N
-----
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
82.31
49%
-92
- C2 -
2C00
1
ACCC_PSEAE
B:
[1-443]
--
M
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
----
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
A
--
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
119
Fugue
82.29
42%
-81
- C2 -
3U9T
-
?
A:
[46-639]
YR
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
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
A
E
L
D
T
G
F
I
A
R
H
-----
Q
D
D
L
L
P
A
P
-
Q
A
L
P
E
-----
H
F
W
Q
A
A
A
E
A
W
L
Q
-----
S
E
P
G
H
R
R
---
D
D
D
P
H
S
P
W
S
R
N
D
G
W
R
S
A
L
A
-
R
E
S
D
L
----
M
L
R
C
R
D
E
-
R
R
C
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
D
P
I
A
E
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
82.26
46%
-81
- C2 -
2VPQ
4
?
B:
[4-445]
------
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
SE
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
R
S
G
K
F
N
T
N
F
L
E
Q
N
-----
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
82.09
49%
-84
- C2 -
2VQD
3
ACCC_PSEAE
A:
[1-443]
--
M
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.06
46%
-79
- C2 -
2VPQ
4
?
A:
[4-445]
------
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
R
S
G
K
F
N
T
N
F
L
E
Q
N
-----
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
81.64
46%
-84
- C2 -
2W6Q
2
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
81.63
46%
-84
- C2 -
3G8C
4
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
141
HHSearch
81.61
47%
-87
- C2 -
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.53
49%
-89
- C2 -
2C00
1
ACCC_PSEAE
A:
[1-443]
--
M
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
R
G
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
--
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
81.52
46%
-83
- C2 -
3JZI
1
ACCC_ECOLI
B:
[22-464]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
140
HHSearch
81.51
42%
-87
- C2 -
3OUZ
15
?
A:
[5-446]
--
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
E
K
Y
I
Q
N
P
R
H
I
E
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
E
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
81.45
46%
-85
- C2 -
2W71
2
ACCC_ECOLI
C:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
81.40
46%
-83
- C2 -
3G8C
4
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
138
HHSearch
81.39
42%
-87
- C2 -
2DZD
-
?
A:
[5-457]
--
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
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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
VGIPKQ
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
81.35
46%
-84
- C2 -
2W6Z
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
81.33
46%
-85
- C2 -
2W6N
2
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
81.25
46%
-82
- C2 -
3JZF
1
ACCC_ECOLI
B:
[22-464]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
81.21
46%
-85
- C2 -
2W70
2
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
81.19
46%
-86
- C2 -
2W6M
2
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
81.01
46%
-86
- C2 -
3G8D
3
ACCC_ECOLI
B:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
80.95
46%
-83
- C2 -
3RV4
10
ACCC_ECOLI
A:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
80.89
46%
-83
- C2 -
2W6P
1
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
80.83
46%
-83
- C2 -
3RV3
3
ACCC_ECOLI
A:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
80.82
46%
-86
- C2 -
2V58
2
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
80.75
46%
-84
- C2 -
2J9G
3
ACCC_ECOLI
B:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
80.68
46%
-83
- C2 -
3RV3
3
ACCC_ECOLI
B:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
80.68
46%
-86
- C2 -
2VR1
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
80.68
46%
-86
- C2 -
4MV4
5
ACCC_HAEIN
A:
[21-463]
--
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
80.63
46%
-83
- C2 -
2W70
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
80.62
46%
-82
- C2 -
3JZI
1
ACCC_ECOLI
A:
[22-464]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
80.61
46%
-88
- C2 -
2W6O
2
ACCC_ECOLI
C:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
80.55
46%
-82
- C2 -
3RUP
6
ACCC_ECOLI
B:
[4-446]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
80.54
46%
-83
- C2 -
2V5A
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
80.49
46%
-84
- C2 -
2V59
1
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
80.49
46%
-85
- C2 -
2V59
1
ACCC_ECOLI
B:
[1-443]
--
M
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
RA
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
IG
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
80.44
46%
-85
- C2 -
2J9G
3
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
80.37
46%
-83
- C2 -
1DV2
1
ACCC_ECOLI
A:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
80.35
46%
-80
- C2 -
1DV2
1
ACCC_ECOLI
B:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
80.24
46%
-84
- C2 -
2W6Q
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
80.13
46%
-85
- C2 -
2W71
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
80.04
46%
-83
- C2 -
2W6N
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
80.01
46%
-86
- C2 -
2W6O
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
79.96
46%
-82
- C2 -
2V58
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
79.96
46%
-82
- C2 -
2W6M
2
ACCC_ECOLI
A:
[1-443]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
79.96
46%
-90
- C2 -
4MV3
3
ACCC_HAEIN
A:
[21-463]
--
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
------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
79.82
46%
-80
- C2 -
3RUP
5
ACCC_ECOLI
A:
[4-446]
--
M
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
Q
H
G
G
T
N
I
H
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
79.67
46%
-90
- C2 -
4MV1
4
ACCC_HAEIN
A:
[21-463]
--
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
------
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
79.35
46%
-88
- C2 -
4MV8
2
ACCC_HAEIN
A:
[21-463]
--
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
-----
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
78.10
46%
-88
- C2 -
4RZQ
2
ACCC_HAEIN
A:
[21-463]
--
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
--------
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
Y
L
E
K
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.67
46%
-86
- C2 -
3VA7
5
?
A:
[31-492]
---
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
Y
K
P
-
C
A
F
E
V
-----
L
A
P
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
136
HHSearch
73.23
47%
-85
- C2 -
3VA7
5
?
A:
[30-478]
--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------