@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 : Lmo1759: (2016-03-28 )
LNAKELVDGLNPEQRRAVESTEGPLLIMAGAGSGKTRVLTHRIAYLVRERGVNPYNILAITFTNKAAREMKSRIGNLMGGEAESIWISTFHSMCVRILRRDIDRIGYERNFTILDGSDQLSVIKGILKEKNVDPKKFEPRGILASISNAKNELITASEYIKEASGFYDKMVGEVYEKYEKKLKKNQALDFDDLIMVTIQLFERVPDVLEYYQRKFQYIHVDEYQDTNHAQYLLVKQLASRFKNLCVVGDSDQSIYGWRGADISNIMSFEKDYPNAKTILLEENYRSTKRILEAANRVIENNGNRKPKNLWTSNAEGKKIFYHKALTEKEEAAYVVMKIQEEVNNSNRPLSDFAILYRTNAQSRVMEEYFMKSNMAYTMVGGTKFYDRKEIKDILAYLRLISNNEDDISLTRIVNVPKRGVGPGTLDKLNNVATTYDLSLFEVLNRIELAGISPKISKDLVAFHDLIRGFTQMQDFLSVTELVEEILEKTGYRAMLKNERTIEAQTRLENIDEFLSVTQNFEKENDDKTLIAFLTDLALVADVDKLEEDNEEQNGAVTLMTLHSAKGLEFPVVFLVGMEEGIFPHSRAIYEEDEMEEERRLAYVGITRAEEELFLTSAYSRMLYGRPSSNQESRFIGEIPRDLLELGNENKLKADKPYAKPRIPQKTTTAYKSSGAETLGWTVGDKASHKKWGVGTVVSVKGEGSGMELDIAFPSPTGVKRLLAEFAPIEKV
Atome Classification :
(22 SA)
.........10........20........30........40........50........60........70........-80.........90........100.......110.......120.......130.......140.......150.......160----.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440--.........-450........460.......470.......480.......490...--....--500.......510...-....520.---....--..530-.........540.......550..---.....560.......570.......580.......590........600.......610.......620.......630.......640---......-...650.......660.......670.......680.......690.......700.......710.......720.......730
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
L
N
A
K
E
L
VDGL
N
P
E
Q
R
R
AVESTEG
P
L
L
I
M
A
GAGSGKT
R
V
L
T
H
R
I
A
Y
L
V
R
ERGVN
P
Y
N
I
L
A
I
T
FT
N
K
A
A
R
E
M
K
S
R
I
G
N
LMG-G-E
A
E
S
I
W
I
S
T
F
H
S
M
C
V
R
I
L
R
R
D
I
D
R
IGYER
N
F
T
I
LDGS
D
Q
L
S
V
I
K
G
I
L
K
EKNVDPKKFEPR
G
I
L
A
S
I
SNAKN
E
L
I
T
A
S
E
Y
I
K
E
----
A
S
G
F
Y
D
K
M
V
G
E
V
Y
E
K
Y
E
K
K
LKKNQAL
D
F
D
D
L
I
M
V
T
I
Q
L
F
E
RV
P
D
V
L
E
Y
Y
Q
R
K
F
Q
Y
I
H
VDEYQDT
N
H
A
Q
Y
L
L
V
K
Q
L
A
S
R
FK
N
L
C
V
VGDSDQSIYGWRGA
D
I
S
N
I
M
S
F
E
KDYPNA
K
T
I
L
L
EEN
Y
R
S
T
K
R
I
L
E
A
A
N
R
V
I
ENNGNRKPKNLWTSNAEG
K
K
I
F
Y
HKALTEKEE
A
A
Y
V
V
M
K
I
Q
E
E
VNNSNRPLS
D
F
A
I
L
Y
RTN
A
Q
S
R
V
M
E
E
Y
F
M
KSN
M
A
Y
T
MVGGTKFY
D
R
K
E
I
K
D
I
L
A
Y
L
R
L
ISNNEDD
I
S
L
T
R
I
VNVPKRGVGP
G
T
L
D
K
L
NNV
A
T
T
Y
D
L
S
L
F
----
E
V
L
N
R
I
E
LA-G-ISP
K
I
S
K
D
L
V
A
F
H
D
L
I
R
G
F
T
Q
M
Q
D
F
L
S
V
T
E
L
V
E
E
I
L
E
KTG
Y
R
A
M
L--KNER--T
I
E
A
Q
T
R
L
E
N
I
D
E
F
L
S
-
V
T
Q
NFEKE---NDD
K
--
T
L
I
---
A
F
L
T
D
L
A
L
V
A
D
V
D
K
LEEDNEEQNG---
A
V
T
L
M
T
LHSAKGLE
F
P
V
V
F
L
V
GMEEGIFPHSRAIY
E
-
E
D
E
M
E
E
ER
R
L
A
Y
V
GITRA
E
E
E
L
F
L
T
S
A
Y
S
R
M
LYGRPSSN
Q
E
S
R
F
I
G
E
I
P
R
-----
D
L
L
ELG-NENKLKADKPYAKPRIPQ
K
T
T
T
A
YKSSGA
E
T
L
G
W
TVGDKASHKKWG
V
G
T
V
V
S
V
KGEGS
G
M
E
L
D
I
AFPS
P
T
G
V
K
R
L
L
A
E
FAPIEKV
22
PsiBlast_PDB
96.69
64%
-88
- C3 -
3PJR
2
?
A:
[5-652]
--
S
E
Q
L
L
A
H
L
N
K
E
Q
Q
E
A
V
R
T
T
E
G
P
L
L
I
M
A
G
A
G
S
G
K
T
R
V
L
T
H
R
I
A
Y
L
M
A
E
K
H
V
A
P
W
N
I
L
A
I
T
F
T
N
K
A
A
R
E
M
R
E
R
V
Q
S
L
L
G
-
G
-
A
A
E
D
V
W
I
S
T
F
H
S
M
C
V
R
I
L
R
R
D
I
D
R
I
G
I
N
R
N
F
S
I
L
D
P
T
D
Q
L
S
V
M
K
T
I
L
K
E
K
N
I
D
P
K
K
F
E
P
R
T
I
L
G
T
I
S
A
A
K
N
E
L
L
P
P
E
Q
F
A
K
R
----
A
S
T
Y
Y
E
K
V
V
S
D
V
Y
Q
E
Y
Q
Q
R
L
L
R
N
H
S
L
D
F
D
D
L
I
M
T
T
I
Q
L
F
D
R
V
P
D
V
L
H
Y
Y
Q
Y
K
F
Q
Y
I
H
I
D
E
Y
Q
D
T
N
R
A
Q
Y
T
L
V
K
K
L
A
E
R
F
Q
N
I
C
A
V
G
D
A
D
Q
S
I
Y
R
W
R
G
A
D
I
Q
N
I
L
S
F
E
R
D
Y
P
N
A
K
V
I
L
L
E
Q
N
Y
R
S
T
K
R
I
L
Q
A
A
N
E
V
I
E
H
N
V
N
R
K
P
K
R
I
W
T
E
N
P
E
G
K
P
I
L
Y
Y
E
A
M
N
E
A
D
E
A
Q
F
V
A
G
R
I
R
E
A
V
E
R
G
E
R
R
Y
R
D
F
A
V
L
Y
R
T
N
A
Q
S
R
V
M
E
E
M
L
L
K
A
N
I
P
Y
Q
I
V
G
G
L
K
F
Y
D
R
K
E
I
K
D
I
L
A
Y
L
R
V
I
A
N
P
D
D
D
L
S
L
L
R
I
I
N
V
P
K
R
G
I
G
A
S
T
I
D
K
L
V
R
Y
A
A
D
H
E
L
S
L
F
----
E
A
L
G
E
L
E
M
I
-
G
-
L
G
A
K
A
A
G
A
L
A
A
F
R
S
Q
L
E
Q
W
T
Q
L
Q
E
Y
V
S
V
T
E
L
V
E
E
V
L
D
K
S
G
Y
R
E
M
L
--
K
A
E
R
--
T
I
E
A
Q
S
R
L
E
N
L
D
E
F
L
S
-
V
T
K
H
F
E
N
V
---
S
D
D
K
--
S
L
I
---
A
F
L
T
D
L
A
L
I
S
D
L
D
E
---
T
E
Q
A
A
E
G
D
--
A
V
M
L
M
T
L
H
A
A
K
G
L
E
F
P
V
V
F
L
I
G
M
E
E
G
I
F
P
H
N
R
S
L
E
D
-
D
D
E
M
E
E
E
R
R
L
A
Y
V
G
I
T
R
A
E
E
E
L
V
L
T
S
A
Q
M
R
T
L
F
G
N
I
Q
M
D
P
P
S
R
F
L
N
E
I
P
A
-----
H
L
L
E
T
A
-
S
R
R
----------------------------------------------------------------------------------
1
HHSearch
94.42
65%
-86
- C3 -
1PJR
-
PCRA_GEOSE
A:
[6-651]
---
E
Q
L
L
A
H
L
N
K
E
Q
Q
E
A
V
R
T
T
E
G
P
L
L
I
M
A
G
A
G
S
G
K
T
R
V
L
T
H
R
I
A
Y
L
M
A
E
K
H
V
A
P
W
N
I
L
A
I
T
F
T
N
K
A
A
R
E
M
R
E
R
V
Q
S
L
L
G
-
G
-
A
A
E
D
V
W
I
S
T
F
H
S
M
C
V
R
I
L
R
R
D
I
D
R
I
G
I
N
R
N
F
S
I
L
D
P
T
D
Q
L
S
V
M
K
T
I
L
K
E
K
N
I
D
P
K
K
F
E
P
R
T
I
L
G
T
I
S
A
A
K
N
E
L
L
P
P
E
Q
F
A
K
R
-------
Y
Y
E
K
V
V
S
D
V
Y
Q
E
Y
Q
Q
R
L
L
R
N
H
S
L
D
F
D
D
L
I
M
T
T
I
Q
L
F
D
R
V
P
D
V
L
H
Y
Y
Q
Y
K
F
Q
Y
I
H
I
D
E
Y
Q
D
T
N
R
A
Q
Y
T
L
V
K
K
L
A
E
R
F
Q
N
I
C
A
V
G
D
A
D
Q
S
I
Y
R
W
R
G
A
D
I
Q
N
I
L
S
F
E
R
D
Y
P
N
A
K
V
I
L
L
E
Q
N
Y
R
S
T
K
R
I
L
Q
A
A
N
E
V
I
E
H
N
V
N
R
K
P
K
R
I
W
T
E
N
P
E
G
K
P
I
L
Y
Y
E
A
M
N
E
A
D
E
A
Q
F
V
A
G
R
I
R
E
A
V
E
R
G
E
R
R
Y
R
D
F
A
V
L
Y
R
T
N
A
Q
S
R
V
M
E
E
M
L
L
K
A
N
I
P
Y
Q
I
V
G
G
L
K
F
Y
D
R
K
E
I
K
D
I
L
A
Y
L
R
V
I
A
N
P
D
D
D
L
S
L
L
R
I
I
N
V
P
K
R
G
I
G
A
S
T
I
D
------------
L
F
----
E
A
L
G
E
L
E
M
I
-
G
-
L
G
A
K
A
A
G
A
L
A
A
F
R
S
Q
L
E
Q
W
T
Q
L
Q
E
Y
V
S
V
T
E
L
V
E
E
V
L
D
K
S
G
Y
R
E
M
L
--
K
A
E
R
--
T
I
E
A
Q
S
R
L
E
N
L
D
E
F
L
S
-
V
T
K
H
F
E
N
V
---
S
D
D
K
--
S
L
I
---
A
F
L
T
D
L
A
L
I
S
------------
G
D
---
A
V
M
L
M
T
L
H
A
A
K
G
L
E
F
P
V
V
F
L
I
G
M
E
E
G
I
F
P
H
N
R
S
L
E
D
-
D
D
E
M
E
E
E
R
R
L
A
Y
V
G
I
T
R
A
E
E
E
L
V
L
T
S
A
Q
M
R
T
L
F
G
N
I
Q
M
D
P
P
S
R
F
L
N
E
I
P
A
-----
H
L
L
E
T
A
S
R
------------------------------------------------------------------------------------
23
PsiBlast_PDB
94.19
64%
-86
- C3 -
1PJR
-
PCRA_GEOSE
A:
[5-651]
--
S
E
Q
L
L
A
H
L
N
K
E
Q
Q
E
A
V
R
T
T
E
G
P
L
L
I
M
A
G
A
G
S
G
K
T
R
V
L
T
H
R
I
A
Y
L
M
A
E
K
H
V
A
P
W
N
I
L
A
I
T
F
T
N
K
A
A
R
E
M
R
E
R
V
Q
S
L
L
G
-
G
-
A
A
E
D
V
W
I
S
T
F
H
S
M
C
V
R
I
L
R
R
D
I
D
R
I
G
I
N
R
N
F
S
I
L
D
P
T
D
Q
L
S
V
M
K
T
I
L
K
E
K
N
I
D
P
K
K
F
E
P
R
T
I
L
G
T
I
S
A
A
K
N
E
L
L
P
P
E
Q
F
A
K
R
-------
Y
Y
E
K
V
V
S
D
V
Y
Q
E
Y
Q
Q
R
L
L
R
N
H
S
L
D
F
D
D
L
I
M
T
T
I
Q
L
F
D
R
V
P
D
V
L
H
Y
Y
Q
Y
K
F
Q
Y
I
H
I
D
E
Y
Q
D
T
N
R
A
Q
Y
T
L
V
K
K
L
A
E
R
F
Q
N
I
C
A
V
G
D
A
D
Q
S
I
Y
R
W
R
G
A
D
I
Q
N
I
L
S
F
E
R
D
Y
P
N
A
K
V
I
L
L
E
Q
N
Y
R
S
T
K
R
I
L
Q
A
A
N
E
V
I
E
H
N
V
N
R
K
P
K
R
I
W
T
E
N
P
E
G
K
P
I
L
Y
Y
E
A
M
N
E
A
D
E
A
Q
F
V
A
G
R
I
R
E
A
V
E
R
G
E
R
R
Y
R
D
F
A
V
L
Y
R
T
N
A
Q
S
R
V
M
E
E
M
L
L
K
A
N
I
P
Y
Q
I
V
G
G
L
K
F
Y
D
R
K
E
I
K
D
I
L
A
Y
L
R
V
I
A
N
P
D
D
D
L
S
L
L
R
I
I
N
V
P
K
R
G
I
G
A
S
T
I
D
------------
L
F
----
E
A
L
G
E
L
E
M
I
-
G
-
L
G
A
K
A
A
G
A
L
A
A
F
R
S
Q
L
E
Q
W
T
Q
L
Q
E
Y
V
S
V
T
E
L
V
E
E
V
L
D
K
S
G
Y
R
E
M
L
--
K
A
E
R
--
T
I
E
A
Q
S
R
L
E
N
L
D
E
F
L
S
-
V
T
K
H
F
E
N
V
---
S
D
D
K
--
S
L
I
---
A
F
L
T
D
L
A
L
I
S
-------------
G
D--
A
V
M
L
M
T
L
H
A
A
K
G
L
E
F
P
V
V
F
L
I
G
M
E
E
G
I
F
P
H
N
R
S
L
E
D
-
D
D
E
M
E
E
E
R
R
L
A
Y
V
G
I
T
R
A
E
E
E
L
V
L
T
S
A
Q
M
R
T
L
F
G
N
I
Q
M
D
P
P
S
R
F
L
N
E
I
P
A
-----
H
L
L
E
T
A
-
S
R
-----------------------------------------------------------------------------------
29
PsiBlast_PDB
90.88
43%
-73
- C3 -
4C2U
8
?
A:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
---
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REPF
I
S
G
L
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
E
G
D
Y
V
A
D
W
L
T
-
R
L
H
G
E
G
R
A
W
S
E
M
A
I
L
Y
R
T
N
A
Q
S
R
V
I
E
E
S
L
R
R
V
Q
I
P
A
R
I
V
G
G
V
G
F
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
V
M
E
T
S
G
Y
L
D
L
L
--
R
Q
E
G
--
Q
-
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA-
N
V
G
G
--
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
M
R
T
K
A
E
N
K
G
A
PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
47
PsiBlast_CBE
90.68
43%
-74
- C3 -
4C2U
8
?
D:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
---
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REPF
I
S
G
L
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
E
G
D
Y
V
A
D
W
L
T
-
R
L
H
G
E
G
R
A
W
S
E
M
A
I
L
Y
R
T
N
A
Q
S
R
V
I
E
E
S
L
R
R
V
Q
I
P
A
R
I
V
G
G
V
G
F
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
V
M
E
T
S
G
Y
L
D
L
L
--
R
Q
E
G
--
Q
-
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA-
N
V
G
G
--
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
M
R
T
K
A
E
N
K
G
A
PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
46
PsiBlast_CBE
90.44
43%
-80
- C3 -
4C30
3
?
D:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
---
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REPF
I
S
G
L
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
E
G
D
Y
V
A
D
W
L
T
-
R
L
H
G
E
G
R
A
W
S
E
M
A
I
L
Y
R
T
N
A
Q
S
R
V
I
E
E
S
L
R
R
V
Q
I
P
A
R
I
V
G
G
V
G
F
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
V
M
E
T
S
G
Y
L
D
L
L
--
R
Q
E
G
--
Q
-
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA----
G
--
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
--------
G
A
PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
44
PsiBlast_CBE
90.42
43%
-80
- C3 -
4C30
3
?
I:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
---
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REPF
I
S
G
L
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
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D
Y
V
A
D
W
L
T
-
R
L
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G
E
G
R
A
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M
A
I
L
Y
R
T
N
A
Q
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R
V
I
E
E
S
L
R
R
V
Q
I
P
A
R
I
V
G
----
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
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M
E
T
S
G
Y
L
D
L
L
--
R
Q
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G
--
Q
-
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA----
G
--
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
--------
G
A
PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
28
PsiBlast_PDB
90.00
41%
-76
- C3 -
2IS6
6
UVRD_ECOLI
A:
[1-656]
M
D
V
S
Y
L
L
D
S
L
N
D
K
Q
R
E
A
V
A
A
P
R
S
N
L
L
V
L
A
G
A
G
S
G
K
T
R
V
L
V
H
R
I
A
W
L
M
S
V
E
N
C
S
P
Y
S
I
M
A
V
T
F
T
N
K
A
A
A
E
M
R
H
R
I
G
Q
L
M
G
-
T
-
S
Q
G
G
M
W
V
G
T
F
H
G
L
A
H
R
L
L
R
A
H
H
M
D
A
N
L
P
Q
D
F
Q
I
L
D
S
E
D
Q
L
R
L
L
K
R
L
I
K
A
M
N
L
D
E
K
Q
W
P
P
R
Q
A
M
W
Y
I
N
S
Q
K
D
E
G
L
R
-
P
H
H
I
Q
S
----
Y
G
N
P
V
E
Q
T
W
Q
K
V
Y
Q
A
Y
Q
E
A
C
D
R
A
G
L
V
D
F
A
E
L
L
L
R
A
H
E
L
W
L
N
K
P
H
I
L
Q
H
Y
R
E
R
F
T
N
I
L
V
D
E
F
Q
D
T
N
N
I
Q
Y
A
W
I
R
L
L
A
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V
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D
D
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Y
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N
I
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N
N
G
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K
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A
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L
D
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R
F
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V
N
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T
W
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G
G
-
A
L
A
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A
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L
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E
E
A
L
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M
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G
G
M
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F
F
E
R
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A
L
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Y
L
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L
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N
D
D
A
A
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V
V
N
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I
G
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T
L
D
V
V
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R
D
R
Q
L
T
L
W
Q
A
C
R
E
L
L
Q
E
K
A
L
A
-
G
----
R
A
A
S
A
L
Q
R
F
M
E
L
I
D
A
L
A
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T
A
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M
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L
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V
I
K
D
S
G
L
R
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M
Y
--
E
Q
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K
--
G
E
K
G
Q
T
R
I
E
N
L
E
E
L
V
T
-
A
T
R
Q
F
S
Y
N
---
E
E
D
----
L
M
P
L
Q
A
F
L
S
H
A
A
L
E
A
G
----
E
G
Q
A
D
T
W
Q
D
---
A
V
Q
L
M
T
L
H
S
A
K
G
L
E
F
P
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V
F
I
V
G
M
E
E
G
M
F
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M
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-
G
G
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L
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K
L
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A
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R
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K
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P
S
R
F
I
G
E
L
P
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-----
E
C
V
E
----
E
V
R
L
R
A
--
T
V
S
R
P
V
S
H
--------------------------------------------------------------------
24
PsiBlast_PDB
89.33
66%
-89
- C3 -
2PJR
2
?
A:
[7-548]
----
Q
L
L
A
H
L
N
K
E
Q
Q
E
A
V
R
T
T
E
G
P
L
L
I
M
A
G
A
G
S
G
K
T
R
V
L
T
H
R
I
A
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K
H
V
A
P
W
N
I
L
A
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F
T
N
K
A
A
R
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M
R
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R
V
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S
L
L
G
-
G
-
A
A
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M
C
V
R
I
L
R
R
D
I
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G
I
N
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F
S
I
L
D
P
T
D
Q
L
S
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M
K
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N
I
D
P
K
K
F
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G
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A
A
K
N
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L
L
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P
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Q
F
A
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----
A
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V
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Y
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Y
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L
L
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Y
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K
F
Q
Y
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A
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K
K
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S
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Y
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F
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D
Y
P
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G
L
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Y
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K
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I
K
D
I
L
A
Y
L
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I
A
N
P
D
D
D
L
S
L
L
R
I
I
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I
G
A
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K
L
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R
Y
A
A
D
H
E
L
S
L
F
----
E
A
L
G
E
L
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M
I
-
G
-
L
G
A
K
A
A
G
A
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A
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--
T
I
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L
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L
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K
H
F
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---
S
D
D
K
--
S
L
I
---
A
F
L
T
D
L
A
L
I
S
D
L
D
E
L
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_PDB
88.92
42%
-74
- C3 -
4C2T
4
?
A:
[8-662]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
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V
I
A
G
A
G
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G
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T
R
T
L
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Y
R
I
A
H
L
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G
H
Y
G
V
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P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
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M
R
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R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
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T
F
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A
G
V
R
I
L
R
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Y
G
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Y
D
D
D
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Q
L
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L
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D
L
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I
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D
A
A
A
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A
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R
R
Y
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K
K
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L
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D
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A
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A
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Y
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A
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L
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L
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G
E
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R
A
W
S
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M
A
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L
Y
R
T
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A
Q
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R
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L
R
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P
A
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Y
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A
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P
A
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R
R
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R
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I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
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F
A
G
L
M
E
A
M
S
E
A
A
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N
Y
E
P
A
A
F
L
R
F
V
M
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T
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G
Y
L
D
L
L
--
R
Q
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G
--
Q
-
E
G
Q
V
R
L
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N
L
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L
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S
-
A
A
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E
W
S
Q
D
EA-
N
V
G
G
--
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
--
D
M
R
T
K
A
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A
V
T
L
M
T
L
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N
A
K
G
L
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V
F
I
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K
G
A
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P
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R
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Y
V
G
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L
L
M
T
A
A
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N
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M
Q
F
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A
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L
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D
I
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-
I
------------------------------------------------------------------------------------
30
PsiBlast_PDB
88.52
43%
-77
- C3 -
4C30
5
?
A:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
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H
Y
G
V
H
P
G
E
I
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F
T
N
K
A
A
A
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M
R
E
R
A
G
H
L
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P
-
G
--
A
G
D
L
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M
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T
F
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A
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R
I
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Y
G
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G
L
R
R
G
F
V
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D
D
D
D
Q
L
D
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I
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M
G
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I
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G
I
G
A
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G
I
I
D
R
A
K
S
N
L
W
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D
D
L
D
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P
R
D
A
A
A
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A
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R
R
Y
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V
R
K
K
G
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N
A
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D
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A
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E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
45
PsiBlast_CBE
88.44
43%
-73
- C3 -
4C30
5
?
F:
[8-661]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
I
G
A
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REP-----
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
E
G
D
Y
V
A
D
W
L
T
-
R
L
H
G
E
G
R
A
W
S
E
M
A
I
L
Y
R
T
N
A
Q
S
R
V
I
E
E
S
L
R
R
V
Q
I
P
A
R
I
V
G
G
V
G
F
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
------------
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
V
M
E
T
S
G
Y
L
D
L
L
--
R
Q
E
G
--
Q
-
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA--------
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
M
R
T
K
A
E
----PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
---------------
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-----------------------------------------------------------------------
42
PsiBlast_CBE
88.18
42%
-75
- C3 -
4C2T
2
?
C:
[8-662]
----
D
L
L
Q
A
L
N
P
T
Q
A
Q
A
A
D
H
F
T
G
P
A
L
V
I
A
G
A
G
S
G
K
T
R
T
L
I
Y
R
I
A
H
L
I
G
H
Y
G
V
H
P
G
E
I
L
A
V
T
F
T
N
K
A
A
A
E
M
R
E
R
A
G
H
L
V
P
-
G
--
A
G
D
L
W
M
S
T
F
H
S
A
G
V
R
I
L
R
T
Y
G
E
H
I
G
L
R
R
G
F
V
I
Y
D
D
D
D
Q
L
D
I
I
K
E
V
M
G
S
I
P
G
I
G
A
E
T
Q
P
R
V
I
R
G
I
I
D
R
A
K
S
N
L
W
T
P
D
D
L
D
R
S
REPF
I
S
G
L
P
R
D
A
A
A
E
A
Y
R
R
Y
E
V
R
K
K
G
Q
N
A
I
D
F
G
D
L
I
T
E
T
V
R
L
F
K
E
V
P
G
V
L
D
K
V
Q
N
K
A
K
F
I
H
V
D
E
Y
Q
D
T
N
R
A
Q
Y
E
L
T
R
L
L
A
S
R
D
R
N
L
L
V
V
G
D
P
D
Q
S
I
Y
K
F
R
G
A
D
I
Q
N
I
L
D
F
Q
K
D
Y
P
D
A
K
V
Y
M
L
E
H
N
Y
R
S
S
A
R
V
L
E
A
A
N
K
L
I
E
N
N
T
E
R
L
D
K
T
L
K
P
V
K
E
A
G
Q
P
V
T
F
H
R
A
T
D
H
R
A
E
G
D
Y
V
A
D
W
L
T
-
R
L
H
G
E
G
R
A
W
S
E
M
A
I
L
Y
R
T
N
A
Q
S
R
V
I
E
E
S
L
R
R
V
Q
I
P
-
R
I
V
G
G
V
G
F
Y
D
R
R
E
I
R
D
I
L
A
Y
A
R
L
A
L
N
P
A
D
D
V
A
L
R
R
I
I
G
R
P
R
R
G
I
G
D
T
A
L
Q
K
L
M
E
W
A
R
T
H
H
T
S
V
L
----
T
A
C
A
N
A
A
E
Q
-
N
-
I
L
D
R
G
A
H
K
A
T
E
F
A
G
L
M
E
A
M
S
E
A
A
D
N
Y
E
P
A
A
F
L
R
F
V
M
E
T
S
G
Y
L
D
L
L
--
R
Q
E
-----
E
G
Q
V
R
L
E
N
L
E
E
L
V
S
-
A
A
E
E
W
S
Q
D
EA-
N
-----
S
I
A
---
D
F
L
D
D
A
A
L
L
S
S
V
D
D
M
R
T
K
A
E
----PED
A
V
T
L
M
T
L
H
N
A
K
G
L
E
F
P
V
V
F
I
V
G
V
E
Q
G
L
L
P
S
K
G
A
I
A
E
G
P
S
G
I
E
E
E
R
R
L
F
Y
V
G
I
T
R
A
M
E
R
L
L
M
T
A
A
Q
N
R
M
Q
F
G
K
T
N
A
A
E
D
S
A
F
L
E
D
I
E
G
L
F
D
T
V
D
P
Y
G
Q
P
-
I
------------------------------------------------------------------------------------
41
PsiBlast_CBE
88.15
66%
-85
- C3 -
2PJR
3
?
F:
[5-547]
--
S
E
Q
L
L
A
H
L
N
K
E
Q
Q
E
A
V
R
T
T
E
G
P
L
L
I
M
A
G
A
G
S
G
K
T
R
V
L
T
H
R
I
A
Y
L
M
A
E
K
H
V
A
P
W
N
I
L
A
I
T
F
T
N
K
A
A
R
E
M
R
E
R
V
Q
S
L
L
G
-
G
-
A
A
E
D
V
W
I
S
T
F
H
S
M
C
V
R
I
L
R
R
D
I
D
R
I
G
I
N
R
N
F
S
I
L
D
P
T
D
Q
L
S
V
M
K
T
I
L
K
E
K
N
I
D
P
K
K
F
E
P
R
T
I
L
G
T
I
S
A
A
K
N
E
L
L
P
P
E
Q
F
A
K
R
----
A
S
T
Y
Y
E
K
V
V
S
D
V
Y
Q
E
Y
Q
Q
R
L
L
R
N
H
S
L
D
F
D
D
L
I
M
T
T
I
Q
L
F
D
R
V
P
D
V
L
H
Y
Y
Q
Y
K
F
Q
Y
I
H
I
D
E
Y
Q
D
T
N
R
A
Q
Y
T
L
V
K
K
L
A
E
R
F
Q
N
I
C
A
V
G
D
A
D
Q
S
I
Y
R
W
R
G
A
D
I
Q
N
I
L
S
F
E
R
D
Y
P
N
A
K
V
I
L
L
E
Q
N
Y
R
S
T
K
R
I
L
Q
A
A
N
E
V
I
E
H
N
V
N
R
K
P
K
R
I
W
T
E
N
P
E
G
K
P
I
L
Y
Y
E
A
M
N
E
A
D
E
A
Q
F
V
A
G
R
I
R
E
A
V
E
R
G
E
R
R
Y
R
D
F
A
V
L
Y
R
T
N
A
Q
S
R
V
M
E
E
M
L
L
K
A
N
I
P
Y
Q
I
V
G
G
L
K
F
Y
D
R
K
E
I
K
D
I
L
A
Y
L
R
V
I
A
N
P
D
D
D
L
S
L
L
R
I
I
N
V
P
K
R
G
I
G
A
S
T
I
D
K
L
V
R
Y
A
A
D
H
E
L
S
L
F
----
E
A
L
G
E
L
E
M
I
-
G
-
L
G
A
K
A
A
G
A
L
A
A
F
R
S
Q
L
E
Q
W
T
Q
L
Q
E
Y
V
S
V
T
E
L
V
E
E
V
L
D
K
S
G
Y
R
E
M
L
--
K
A
E
R
--
T
I
E
A
Q
S
R
L
E
N
L
D
E
F
L
S
-
V
T
K
H
F
E
N
V
---
S
D
D
K
--
S
L
I
---
A
F
L
T
D
L
A
L
I
S
D
L
D
E
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_PDB
87.91
41%
-82
- C3 -
2IS2
2
UVRD_ECOLI
A:
[2-646]
-
D
V
S
Y
L
L
D
S
L
N
D
K
Q
R
E
A
V
A
A
P
R
S
N
L
L
V
L
A
G
A
G
S
G
K
T
R
V
L
V
H
R
I
A
W
L
M
S
V
E
N
C
S
P
Y
S
I
M
A
V
T
F
T
N
K
A
A
A
E
M
R
H
R
I
G
Q
L
M
G
-
T
-
S
Q
G
G
M
W
V
G
T
F
H
G
L
A
H
R
L
L
R
A
H
H
M
D
A
N
L
P
Q
D
F
Q
I
L
D
S
E
D
Q
L
R
L
L
K
R
L
I
K
A
M
N
L
D
E
K
Q
W
P
P
R
Q
A
M
W
Y
I
N
S
Q
K
D
E
G
L
R
-
P
H
H
I
Q
S
----
Y
G
N
P
V
E
Q
T
W
Q
K
V
Y
Q
A
Y
Q
E
A
C
D
R
A
G
L
V
D
F
A
E
L
L
L
R
A
H
E
L
W
L
N
K
P
H
I
L
Q
H
Y
R
E
R
F
T
N
I
L
V
D
E
F
Q
D
T
N
N
I
Q
Y
A
W
I
R
L
L
A
G
D
T
G
K
V
M
I
V
G
D
D
D
Q
S
I
Y
G
W
R
G
A
Q
V
E
N
I
Q
R
F
L
N
D
F
P
G
A
E
T
I
R
L
E
Q
N
Y
R
S
T
S
N
I
L
S
A
A
N
A
L
I
E
N
N
N
G
R
L
G
K
K
L
W
T
D
G
A
D
G
E
P
I
S
L
Y
C
A
F
N
E
L
D
E
A
R
F
V
V
N
R
I
K
T
W
Q
D
N
G
G
-
A
L
A
E
C
A
I
L
Y
R
S
N
A
Q
S
R
V
L
E
E
A
L
L
Q
A
S
M
P
Y
R
I
Y
G
G
M
R
F
F
E
R
Q
E
I
K
D
A
L
S
Y
L
R
L
I
V
N
R
N
D
D
A
A
F
E
R
V
V
N
T
P
T
R
G
I
G
D
R
T
L
D
V
V
R
Q
T
S
R
D
R
Q
L
T
L
W
Q
A
C
R
E
L
L
Q
E
K
A
L
A
-
G
----
R
A
A
S
A
L
Q
R
F
M
E
L
I
D
A
L
A
Q
E
T
A
D
M
P
L
H
V
Q
T
D
R
V
I
K
D
S
G
L
R
T
M
Y
--
E
Q
E
K
--
G
E
K
G
Q
T
R
I
E
N
L
E
E
L
V
T
-
A
T
R
Q
F
S
Y
------
D
E
--
D
L
M
P
L
Q
A
F
L
S
H
A
A
L
E
A
G
----
E
G
Q
A
D
T
W
Q
D
---
A
V
Q
L
M
T
L
H
S
A
K
G
L
E
F
P
Q
V
F
I
V
G
M
E
E
G
M
F
P
S
Q
M
S
L
D
E
-
G
G
R
L
E
E
E
R
R
L
A
Y
V
G
V
T
R
A
M
Q
K
L
T
L
T
Y
A
E
T
R
R
L
Y
G
K
E
V
Y
H
R
P
S
R
F
I
G
E
L
P
E
-----
E
C
V
E
----
E
V
R
L
--------------------------------------------------------------------------------
26
PsiBlast_PDB
87.52
41%
-80
- C3 -
2IS1
9
UVRD_ECOLI
A:
[2-653]
-
D
V
S
Y
L
L
D
S
L
N
D
K
Q
R
E
A
V
A
A
P
R
S
N
L
L
V
L
A
G
A
G
S
G
K
T
R
V
L
V
H
R
I
A
W
L
M
S
V
E
N
C
S
P
Y
S
I
M
A
V
T
F
T
N
K
A
A
A
E
M
R
H
R
I
G
Q
L
M
G
-
T
-
S
Q
G
G
M
W
V
G
T
F
H
G
L
A
H
R
L
L
R
A
H
H
M
D
A
N
L
P
Q
D
F
Q
I
L
D
S
E
D
Q
L
R
L
L
K
R
L
I
K
A
M
N
L
D
E
K
Q
W
P
P
R
Q
A
M
W
Y
I
N
S
Q
K
D
E
G
L
R
-
P
H
H
I
Q
S
----
Y
G
N
P
V
E
Q
T
W
Q
K
V
Y
Q
A
Y
Q
E
A
C
D
R
A
G
L
V
D
F
A
E
L
L
L
R
A
H
E
L
W
L
N
K
P
H
I
L
Q
H
Y
R
E
R
F
T
N
I
L
V
D
E
F
Q
D
T
N
N
I
Q
Y
A
W
I
R
L
L
A
G
D
T
G
K
V
M
I
V
G
D
D
D
Q
S
I
Y
G
W
R
G
A
Q
V
E
N
I
Q
R
F
L
N
D
F
P
G
A
E
T
I
R
L
E
Q
N
Y
R
S
T
S
N
I
L
S
A
A
N
A
L
I
E
N
N
N
G
R
L
G
K
K
L
W
T
D
G
A
D
G
E
P
I
S
L
Y
C
A
F
N
E
L
D
E
A
R
F
V
V
N
R
I
K
T
W
Q
D
N
G
G
-
A
L
A
E
C
A
I
L
Y
R
S
N
A
Q
S
R
V
L
E
E
A
L
L
Q
A
S
M
P
Y
R
I
Y
G
G
M
R
F
F
E
R
Q
E
I
K
D
A
L
S
Y
L
R
L
I
V
N
R
N
D
D
A
A
F
E
R
V
V
N
T
P
T
R
G
I
G
D
R
T
L
D
V
V
R
Q
T
S
R
D
R
Q
L
T
L
W
Q
A
C
R
E
L
L
Q
E
K
A
L
A
-
G
----
R
A
A
S
A
L
Q
R
F
M
E
L
I
D
A
L
A
Q
E
T
A
D
M
P
L
H
V
Q
T
D
R
V
I
K
D
S
G
L
R
T
M
Y
--
E
Q
E
K
--
G
E
K
G
Q
T
R
I
E
N
L
E
E
L
V
T
-
A
T
R
Q
F
S
Y
N
------
E
--
D
L
M
P
L
Q
A
F
L
S
H
A
A
L
E
A
G
----
E
G
Q
A
D
T
W
Q
D
---
A
V
Q
L
M
T
L
H
S
A
K
G
L
E
F
P
Q
V
F
I
V
G
M
E
E
G
M
F
P
S
Q
M
S
L
D
E
-
G
G
R
L
E
E
E
R
R
L
A
Y
V
G
V
T
R
A
M
Q
K
L
T
L
T
Y
A
E
T
R
R
L
Y
G
K
E
V
Y
H
R
P
S
R
F
I
G
E
L
P
E
-----
E
C
V
E
----
E
V
R
L
R
A
--
T
V
S
R
P
-----------------------------------------------------------------------
3
HHSearch
85.50
41%
-78
- C3 -
1UAA
1
REP_ECOLI
A:
[2-640]
--------
R
L
N
P
G
Q
Q
Q
A
V
E
F
V
T
G
P
C
L
V
L
A
G
A
G
S
G
K
T
R
V
I
T
N
K
I
A
H
L
I
R
G
C
G
Y
Q
A
R
H
I
A
A
V
T
F
T
N
K
A
A
R
E
M
K
E
R
V
G
Q
T
L
G
-
R
K
E
A
R
G
L
M
I
S
T
F
H
T
L
G
L
D
I
I
K
R
E
Y
A
A
L
G
M
K
A
N
F
S
L
F
D
D
T
D
Q
L
A
L
L
K
E
L
T
E
G
L
I
E
-
D
D
K
V
L
L
Q
Q
L
I
S
T
I
S
N
W
K
N
D
L
K
T
P
S
Q
A
A
A
S
----
A
I
G
E
R
D
R
I
F
A
H
C
Y
G
L
Y
D
A
H
L
K
A
C
N
V
L
D
F
D
D
L
I
L
L
P
T
L
L
L
Q
A
N
E
E
V
R
K
R
W
Q
N
K
I
R
Y
L
L
V
D
E
Y
Q
D
T
N
T
S
Q
Y
E
L
V
K
L
L
V
G
S
R
A
R
F
T
V
V
G
D
D
D
Q
S
I
Y
S
W
R
G
A
R
P
Q
N
L
V
L
L
S
Q
D
F
P
A
L
K
V
I
K
L
E
Q
N
Y
R
S
S
G
R
I
L
K
A
A
N
I
L
I
A
N
N
P
H
V
F
E
K
R
L
F
S
E
L
G
Y
G
A
E
L
K
V
L
S
A
N
N
E
E
H
E
A
E
R
V
T
G
E
L
I
A
H
H
F
V
N
K
T
Q
Y
K
D
Y
A
I
L
Y
R
G
N
H
Q
S
R
V
F
E
K
F
L
M
Q
N
R
I
P
Y
K
I
S
G
G
T
S
F
F
S
R
P
E
I
K
D
L
L
A
Y
L
R
V
L
T
N
P
D
D
D
S
A
F
L
R
I
V
N
T
P
K
R
E
I
G
P
A
T
L
K
K
L
G
E
W
A
M
T
R
N
K
S
M
F
----
T
A
S
F
D
M
G
L
S
-
Q
T
L
S
G
R
G
Y
E
A
L
T
R
F
T
H
W
L
A
E
I
Q
R
L
-
A
E
R
E
P
I
A
A
V
R
D
L
I
H
G
M
D
Y
E
S
W
L
--
Y
E
T
S
PS
P
K
A
A
E
M
R
M
K
N
V
N
Q
L
F
S
-
W
M
T
E
M
L
E
G
SEL
D
E
P
M
--
T
L
T
---
Q
V
V
T
R
F
T
L
R
D
M
M
E
R
-----
E
E
E
L
D
---
Q
V
Q
L
M
T
L
H
A
S
K
G
L
E
F
P
Y
V
Y
M
V
G
M
E
E
G
F
L
P
H
Q
S
S
I
D
--
E
D
N
I
D
E
E
R
R
L
A
Y
V
G
I
T
R
A
Q
K
E
L
T
F
T
L
C
K
E
R
R
Q
Y
G
E
L
V
R
P
E
P
S
R
F
L
L
E
L
P
Q
-----
D
D
L
I
W
---------------------------------------------------------------------------------------
43
PsiBlast_CBE
85.42
41%
-80
- C3 -
2IS1
7
UVRD_ECOLI
B:
[3-644]
--
V
S
Y
L
L
D
S
L
N
D
K
Q
R
E
A
V
A
A
P
R
S
N
L
L
V
L
A
G
A
G
S
G
K
T
R
V
L
V
H
R
I
A
W
L
M
S
V
E
N
C
S
P
Y
S
I
M
A
V
T
F
T
N
K
A
A
A
E
M
R
H
R
I
G
Q
L
M
G
-
T
-
S
Q
G
G
M
W
V
G
T
F
H
G
L
A
H
R
L
L
R
A
H
H
M
D
A
N
L
P
Q
D
F
Q
I
L
D
S
E
D
Q
L
R
L
L
K
R
L
I
K
A
M
N
L
D
E
K
Q
W
P
P
R
Q
A
M
W
Y
I
N
S
Q
K
D
E
G
L
R
-
P
H
H
I
Q
S
--------
V
E
Q
T
W
Q
K
V
Y
Q
A
Y
Q
E
A
C
D
R
A
G
L
V
D
F
A
E
L
L
L
R
A
H
E
L
W
L
N
K
P
H
I
L
Q
H
Y
R
E
R
F
T
N
I
L
V
D
E
F
Q
D
T
N
N
I
Q
Y
A
W
I
R
L
L
A
G
D
T
G
K
V
M
I
V
G
D
D
D
Q
S
I
Y
G
W
R
G
A
Q
V
E
N
I
Q
R
F
L
N
D
F
P
G
A
E
T
I
R
L
E
Q
N
Y
R
S
T
S
N
I
L
S
A
A
N
A
L
I
E
N
N
N
G
R
L
G
K
K
L
W
T
D
G
A
D
G
E
P
I
S
L
Y
C
A
F
N
E
L
D
E
A
R
F
V
V
N
R
I
K
T
W
Q
D
N
G
G
-
A
L
A
E
C
A
I
L
Y
R
S
N
A
Q
S
R
V
L
E
E
A
L
L
Q
A
S
M
P
Y
R
I
Y
G
G
M
R
F
F
E
R
Q
E
I
K
D
A
L
S
Y
L
R
L
I
V
N
R
N
D
D
A
A
F
E
R
V
V
N
T
P
T
R
G
I
G
D
R
T
L
D
V
V
R
Q
T
S
R
D
R
Q
L
T
L
W
Q
A
C
R
E
L
L
Q
E
K
A
L
A
-
G
----
R
A
A
S
A
L
Q
R
F
M
E
L
I
D
A
L
A
Q
E
T
A
D
M
P
L
H
V
Q
T
D
R
V
I
K
D
S
G
L
R
T
M
Y
--
E
Q
E
K
--
G
E
K
G
Q
T
R
I
E
N
L
E
E
L
V
T
-
A
T
R
Q
F
S
Y
------
D
E
--
D
L
M
P
L
Q
A
F
L
S
H
A
A
L
E
A
G
----
E
G
-----
Q
D
---
A
V
Q
L
M
T
L
H
S
A
K
G
L
E
F
P
Q
V
F
I
V
G
M
E
E
G
M
F
P
S
Q
M
-------
R
L
E
E
E
R
R
L
A
Y
V
G
V
T
R
A
M
Q
K
L
T
L
T
Y
A
E
T
R
R
L
Y
G
K
E
V
Y
H
R
P
S
R
F
I
G
E
L
P
E
-----
E
C
V
E
----
E
V
----------------------------------------------------------------------------------
31
PsiBlast_PDB
85.04
40%
-78
- C3 -
1UAA
1
REP_ECOLI
A:
[3-640]
---------
L
N
P
G
Q
Q
Q
A
V
E
F
V
T
G
P
C
L
V
L
A
G
A
G
S
G
K
T
R
V
I
T
N
K
I
A
H
L
I
R
G
C
G
Y
Q
A
R
H
I
A
A
V
T
F
T
N
K
A
A
R
E
M
K
E
R
V
G
Q
T
L
G
R
K
-
E
A
R
G
L
M
I
S
T
F
H
T
L
G
L
D
I
I
K
R
E
Y
A
A
L
G
M
K
A
N
F
S
L
F
D
D
T
D
Q
L
A
L
L
K
E
-
L
T
E
G
L
I
E
D
D
K
V
L
L
Q
Q
L
I
S
T
I
S
N
W
K
N
D
L
K
T
P
S
Q
A
A
A
S
----
A
I
G
E
R
D
R
I
F
A
H
C
Y
G
L
Y
D
A
H
L
K
A
C
N
V
L
D
F
D
D
L
I
L
L
P
T
L
L
L
Q
A
N
E
E
V
R
K
R
W
Q
N
K
I
R
Y
L
L
V
D
E
Y
Q
D
T
N
T
S
Q
Y
E
L
V
K
L
L
V
G
S
R
A
R
F
T
V
V
G
D
D
D
Q
S
I
Y
S
W
R
G
A
R
P
Q
N
L
V
L
L
S
Q
D
F
P
A
L
K
V
I
K
L
E
Q
N
Y
R
S
S
G
R
I
L
K
A
A
N
I
L
I
A
N
N
P
H
V
F
E
K
R
L
F
S
E
L
G
Y
G
A
E
L
K
V
L
S
A
N
N
E
E
H
E
A
E
R
V
T
G
E
L
I
A
H
H
F
V
N
K
T
Q
Y
K
D
Y
A
I
L
Y
R
G
N
H
Q
S
R
V
F
E
K
F
L
M
Q
N
R
I
P
Y
K
I
S
G
G
T
S
F
F
S
R
P
E
I
K
D
L
L
A
Y
L
R
V
L
T
N
P
D
D
D
S
A
F
L
R
I
V
N
T
P
K
R
E
I
G
P
A
T
L
K
K
L
G
E
W
A
M
T
R
N
K
S
M
F
----
T
A
S
F
D
M
G
L
S
Q
T
-
L
S
G
R
G
Y
E
A
L
T
R
F
T
H
W
L
A
E
I
Q
R
L
A
E
R
E
P
I
A
A
-
V
R
D
L
I
H
G
M
D
Y
E
S
W
L
Y
E
T
S
P
S
--
P
K
A
A
E
M
R
M
K
N
V
N
Q
L
F
S
W
M
T
E
M
L
E
G
S
---
E
L
D
E
PM
T
L
T
---
Q
V
V
T
R
F
T
L
R
D
M
M
E
R
-----
E
E
E
L
D
---
Q
V
Q
L
M
T
L
H
A
S
K
G
L
E
F
P
Y
V
Y
M
V
G
M
E
E
G
F
L
P
H
Q
S
S
I
-
D
-
E
D
N
I
D
E
E
R
R
L
A
Y
V
G
I
T
R
A
Q
K
E
L
T
F
T
L
C
K
E
R
R
Q
Y
G
E
L
V
R
P
E
P
S
R
F
L
L
E
L
P
Q
-----
D
D
L
I
W
---------------------------------------------------------------------------------------
48
PsiBlast_CBE
83.74
40%
-76
- C3 -
1UAA
1
REP_ECOLI
B:
[3-642]
---------
L
N
P
G
Q
Q
Q
A
V
E
F
V
T
G
P
C
L
V
L
A
G
A
G
S
G
K
T
R
V
I
T
N
K
I
A
H
L
I
R
G
C
G
Y
Q
A
R
H
I
A
A
V
T
F
T
N
K
A
A
R
E
M
K
E
R
V
G
Q
T
L
G
R
K
-
E
A
R
G
L
M
I
S
T
F
H
T
L
G
L
D
I
I
K
R
E
Y
A
A
L
G
M
K
A
N
F
S
L
F
D
D
T
D
Q
L
A
L
L
K
E
-
L
T
E
G
L
I
E
D
D
K
V
L
L
Q
Q
L
I
S
T
I
S
N
W
K
N
D
L
K
T
P
S
Q
A
A
A
S
----
A
I
G
E
R
D
R
I
F
A
H
C
Y
G
L
Y
D
A
H
L
K
A
C
N
V
L
D
F
D
D
L
I
L
L
P
T
L
L
L
Q
A
N
E
E
V
R
K
R
W
Q
N
K
I
R
Y
L
L
V
D
E
Y
Q
D
T
N
T
S
Q
Y
E
L
V
K
L
L
V
G
S
R
A
R
F
T
V
V
G
D
D
D
Q
S
I
Y
S
W
R
G
A
R
P
Q
N
L
V
L
L
S
Q
D
F
P
A
L
K
V
I
K
L
E
Q
N
Y
R
S
S
G
R
I
L
K
A
A
N
I
L
I
A
N
N
P
H
V
F
E
K
R
L
F
S
E
L
G
Y
G
A
E
L
K
V
L
S
A
N
N
E
E
H
E
A
E
R
V
T
G
E
L
I
A
H
H
F
V
N
K
T
Q
Y
K
D
Y
A
I
L
Y
R
G
N
H
Q
S
R
V
F
E
K
F
L
M
Q
N
R
I
P
Y
K
I
S
G
G
T
S
F
F
S
R
P
E
I
K
D
L
L
A
Y
L
R
V
L
T
N
P
D
D
D
S
A
F
L
R
I
V
N
T
P
K
R
E
I
G
P
A
T
L
K
K
L
G
E
W
A
M
T
R
N
K
S
M
F
----
T
A
S
F
D
M
G
L
S
Q
T
-
L
S
G
R
G
Y
E
A
L
T
R
F
T
H
W
L
A
E
I
Q
R
L
A
E
R
E
P
I
A
A
-
V
R
D
L
I
H
G
M
D
Y
E
S
W
L
YE
T
S
P
S
--
P
K
A
A
E
M
R
M
K
N
V
N
Q
L
F
S
W
M
T
E
M
L
E
G
S
---
E
L
D
E
PM
T
L
T
---
Q
V
V
T
R
F
T
L
R
D
----------
E
E
L
D
---
Q
V
Q
L
M
T
L
H
A
S
K
G
L
E
F
P
Y
V
Y
M
V
G
M
E
E
G
F
L
P
H
Q
S
S
I
-
D
-
E
D
N
I
D
E
E
R
R
L
A
Y
V
G
I
T
R
A
Q
K
E
L
T
F
T
L
C
K
E
R
R
Q
Y
G
E
L
V
R
P
E
P
S
R
F
L
L
E
L
P
Q
-----
D
D
L
I
W
E
-
Q
------------------------------------------------------------------------------------
51
PsiBlast_CBE
34.56
72%
-15
- C3 -
2PJR
2
?
G:
[3-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
V
M
L
M
T
L
H
A
A
K
G
L
E
F
P
V
V
F
L
I
G
M
E
E
G
I
F
P
H
N
R
S
L
E
D
-
D
D
E
M
E
E
E
R
R
L
A
Y
V
G
I
T
R
A
E
E
E
L
V
L
T
S
A
Q
M
R
T
L
F
G
N
I
Q
M
D
P
P
S
R
F
L
N
E
I
P
A
-----
H
L
L
E
----------------------------------------------------------------------------------------
52
PsiBlast_CBE
33.15
72%
-7
- C3 -
2PJR
2
?
B:
[3-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
V
M
L
M
T
L
H
A
A
K
G
L
E
F
P
V
V
F
L
I
G
M
E
E
G
I
F
P
H
N
R
S
L
E
D
-
D
D
E
M
E
E
E
R
R
L
A
Y
V
G
I
T
R
A
E
E
E
L
V
L
T
S
A
Q
M
R
T
L
F
G
N
I
Q
M
D
P
P
S
R
F
L
N
E
I
P
A
-----
H
L
L
E
----------------------------------------------------------------------------------------