@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 : Rv0120c: (2016-04-19 )
MADRVNASQGAAAAPTANGPGGVRNVVLVGPSGGGKTTLIEALLVAAKVLSRPGSVTEGTTVCDFDEAEIRQQRSVGLAVASLAYDGIKVNLVDTPGYADFVGELRAGLRAADCALFVIAANEGVDEPTKSLWQECSQVGMPRAVVITKLDHARANYREALTAAQDAFGDKVLPLYLPSGDGLIGLLSQALYEYADGKRTTRTPAESDTERIEEARGALIEGIIEESEDESLMERYLGGETIDESVLIQDLEKAVARGSFFPVIPVCSSTGVGTLELLEVATRGFPSPMEHPLPEVFTPQGVPHAELACDNDAPLLAEVVKTTSDPYVGRVSLVRVFSGTIRPDTTVHVSGHFSSFFGGGTSNTHPDHDEDERIGVLSFPLGKQQRPAAAVVAGDICAIGKLSRAETGDTLSDKAEPLVLKPWTMPEPLLPIAIAAHAKTDEDKLSVGLGRLAAEDPTLRIEQNQETHQVVLWCMGEAHAGVVLDTLANRYGVSVDTIELRVPLRETFAGNAKGHGRHIKQSGGHGQYGVCDIEVEPLPEGSGFEFLDKVVGGAVPRQFIPNVEKGVRAQMDKGVHAGYPVVDIRVTLLDGKAHSVDSSDFAFQMAGALALREAAAATKVILLEPIDEISVLVPDDFVGAVLGDLSSRRGRVLGTETAGHDRTVIKAEVPQVELTRYAIDLRSLAHGAASFTRSFARYEPMPESAAARVKAGAG
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80...---------.....90........100.......110.......120.......130.......140.......150.......160.......170......-----.180---.-----........190....--.---..--200-.-----..-....-.210.......220.......--230.......240.......250.......260.......270.......280.......290-.......300..-...--..310.......320.......330.......340.-......350.......360.......370.......380.......390.......400.......410-......-.--.420.......430.......440.......450.......460.......470.......480.......490.......500.......510..-.....520.......530.......540---.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660-.......670.......680.......690.......700.......710..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MADRVNASQGAAAAPTANGPGG
V
R
N
V
V
L
V
GPSGG
G
K
T
T
L
I
E
A
L
L
V
A
A
K
V
LSRPGSVTEG
T
T
V
CDF
D
E
A
E
I
R
Q
Q
RSV
G
L
A
V
A
S
LA---------YD
G
I
K
V
N
L
V
DTP
G
Y
A
D
F
V
G
E
L
R
A
G
L
RAA
D
C
A
L
F
V
I
A
ANEGVD
E
P
T
K
S
L
W
Q
E
C
S
QVGM
P
R
A
V
V
I
T
KLDHA
R
A
N
Y
R
E
A
L
T
A
A
Q
D
AFGD
K
V
L
P
L
Y
LP-----SG-----D-----
G
L
I
G
L
L
S
Q
A
L
Y
E
YAD--G---KR--TT--R-----TP-AE
S
D
-
T
E
R
I
E
E
A
R
G
A
L
I
E
G
I
I
EESE
D
--
E
S
L
M
E
R
YLGGETI
D
E
S
V
L
I
Q
D
L
E
K
A
V
ARGSF
F
P
VIPVCSSTGV
G
T
L
E
L
L
E
V
A
TRGFPSPMEHP-LPEVFTPQGVPH-AEL--ACDND
A
P
L
L
A
E
V
V
K
TTSDPYV
G
R
V
S
L
V
R
V
FSGTIRP-D
T
T
V
H
V
SGH
F
S
S
FFGGGTSNTHPDHDEDE
R
I
G
V
L
SFPLGKQQRP
A
A
A
V
VAG
D
I
C
AIGKLSRAETGDTL--SDKAE
P
-
L
--
V
LKPWTMPEPL
L
P
I
A
I
A
AHAKTD
E
D
K
L
S
V
G
L
G
RLAAEDP
T
L
R
I
EQNQE
T
H
Q
V
V
L
W
C
MGEAHA
G
V
V
L
D
T
L
A
N
RYG
V
S
V
D
T
I
E
L
R
V
P
L
R
E
TFAGNAKG-HGRHIKQSGGHGQ
Y
G
V
C
D
I
E
V
E
PLPEGS---
G
F
E
F
L
D
K
V
VGGA
V
P
R
Q
F
IP
N
V
E
K
G
V
R
A
Q
M
DKGVHAGY
P
V
V
D
I
R
V
T
L
LDGKAHSVDSS
D
F
A
F
Q
M
A
G
A
L
A
L
R
E
AAAA
T
K
V
I
L
LEPID
E
I
S
V
LVP
D
D
F
V
G
A
V
L
G
D
L
S
SRRG
R
V
L
GTETAGHD
R
-
T
V
I
K
AEVP
Q
V
E
L
T
R
Y
A
I
D
L
R
S
L
A
H
G
A
A
S
F
T
R
S
F
ARYEPM
P
E
S
A
A
A
R
VKAGAG
56
HHSearch
95.95
33%
-92
* C1 *
2XEX
2
EFG_STAAU
A:
[4-690]
----------------
E
F
S
L
E
K
T
R
N
I
G
I
M
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
-------------------------
T
S
A
A
T
T
A
A
---------
W
E
G
H
R
V
N
I
I
D
T
P
G
H
V
D
F
T
V
E
V
E
R
S
L
R
V
L
D
G
A
V
T
V
L
D
A
Q
S
G
V
E
P
Q
T
E
T
V
W
R
Q
A
T
T
Y
G
V
P
R
I
V
F
V
N
K
M
D
K
L
G
A
N
F
E
Y
S
V
S
T
L
H
D
R
L
Q
A
N
A
A
P
I
Q
L
P
I
G
AED
E
F
-----
E
-----
A
I
I
D
L
V
E
M
K
C
F
K
Y
T
N
--
D
---
L
G
TE
I
E
E
I
E
-----
I
P
-
E
-
D
H
-
L
D
R
A
E
E
A
R
A
S
L
I
E
A
V
A
E
T
S
----
D
E
L
M
E
K
Y
L
G
D
E
E
I
S
V
S
E
L
K
E
A
I
R
Q
A
T
T
N
V
E
F
Y
P
V
L
C
G
T
A
F
K
N
K
G
V
Q
L
M
L
D
A
V
I
D
Y
L
P
S
P
L
D
V
K
P
I
I
G
H
R
A
S
N
P
E
E
E
-
V
I
A
--
K
A
D
D
S
A
E
F
A
A
L
A
F
K
V
M
T
D
P
Y
V
G
K
L
T
F
F
R
V
Y
S
G
T
M
T
S
-
G
S
Y
V
K
N
S
T
K
----------------
G
K
R
E
R
V
G
R
L
L
Q
M
H
A
N
S
R
Q
E
I
D
T
V
Y
S
G
D
I
A
A
A
V
G
L
K
D
T
G
T
G
D
T
L
--
C
G
E
K
N
D
-
I
--
I
L
E
S
M
E
F
P
E
P
V
I
H
L
S
V
E
P
K
S
K
A
D
Q
D
K
M
T
Q
A
L
V
K
L
Q
E
E
D
P
T
F
H
A
H
T
---
T
G
Q
V
I
I
G
G
M
G
E
L
H
L
D
I
L
V
D
R
M
K
K
E
F
N
V
E
C
N
V
G
A
P
M
V
S
Y
R
E
T
F
K
S
S
A
Q
V
-
Q
G
K
F
S
R
Q
S
G
G
R
G
Q
Y
G
D
V
H
I
E
F
T
P
N
E
T
G
A
---
G
F
E
F
E
N
A
I
V
G
G
V
V
P
R
E
Y
I
P
S
V
E
A
G
L
K
D
A
M
E
N
G
V
L
A
G
Y
P
L
I
D
V
K
A
K
L
Y
D
G
S
Y
H
D
V
D
S
S
E
M
A
F
K
I
A
A
S
L
A
L
K
E
A
A
K
K
C
D
P
V
I
L
E
P
M
M
K
V
T
I
E
M
P
E
E
Y
M
G
D
I
M
G
D
V
T
S
R
R
G
R
V
D
G
--
M
E
P
R
G
N
A
Q
V
V
N
A
Y
V
P
L
S
E
M
F
G
Y
A
T
S
L
R
S
N
T
Q
G
R
G
T
Y
T
M
Y
F
D
H
Y
A
E
V
P
K
S
I
A
E
D
I
I
K
K
N
-
21
PsiBlast_CBE
95.33
33%
-91
- C1 -
2XEX
2
EFG_STAAU
B:
[11-686]
-----------------------
R
N
I
G
I
M
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
K
I
G
----
G
A
S
Q
M
D
W
M
E
Q
E
--------
S
A
A
T
T
A
A
---------
W
E
G
H
R
V
N
I
I
D
T
P
G
H
V
D
F
T
V
E
V
E
R
S
L
R
V
L
D
G
A
V
T
V
L
D
A
Q
S
G
V
E
P
Q
T
E
T
V
W
R
Q
A
T
T
Y
G
V
P
R
I
V
F
V
N
K
M
D
K
L
G
A
N
F
E
Y
S
V
S
T
L
H
D
R
L
Q
A
N
A
A
P
I
Q
L
P
-----
I
G
AEDEF
E
-----
A
I
I
D
L
V
E
M
K
C
F
K
Y
T
N
DL
G
---
T
E
--
I
E
--
E
-----
I
E
-
I
P
E
D
H
L
D
R
A
E
E
A
R
A
S
L
I
E
A
V
A
E
T
S
D
E
----
L
M
E
K
Y
L
G
D
E
E
I
S
V
S
E
L
K
E
A
I
R
Q
A
T
T
N
V
E
F
Y
P
V
L
C
G
T
A
F
K
N
K
G
V
Q
L
M
L
D
A
V
I
D
Y
L
P
S
P
L
D
V
K
--
P
I
I
G
H
R
A
S
N
P
E
-
E
E
V
I
A
K
A
D
D
S
A
E
F
A
A
L
A
F
K
V
M
T
D
P
Y
V
G
K
L
T
F
F
R
V
Y
S
G
T
M
--------
T
S
G
---
S
Y
V
K
N
S
T
K
G
K
R
------
E
R
V
G
R
L
L
Q
M
H
A
N
S
R
Q
E
I
D
T
V
Y
S
G
D
I
A
A
A
V
G
L
K
D
T
G
T
G
D
T
L
--
C
G
E
K
N
D
-
I
--
I
L
E
S
M
E
F
P
E
P
V
I
H
L
S
V
E
P
K
S
K
A
D
Q
D
K
M
T
Q
A
L
V
K
L
Q
E
E
D
P
T
F
H
A
H
T
-----
Q
V
I
I
G
G
M
G
E
L
H
L
D
I
L
V
D
R
M
K
K
E
F
N
V
E
C
N
V
G
A
P
M
V
S
Y
R
E
T
F
K
S
S
A
Q
V
-
Q
G
K
F
S
R
Q
S
G
G
R
G
Q
Y
G
D
V
H
I
E
F
T
P
N
E
T
G
A
---
G
F
E
F
E
N
A
I
V
G
G
V
V
P
R
E
Y
I
P
S
V
E
A
G
L
K
D
A
M
E
N
G
V
L
A
G
Y
P
L
I
D
V
K
A
K
L
Y
D
G
S
Y
H
D
V
D
S
S
E
M
A
F
K
I
A
A
S
L
A
L
K
E
A
A
K
K
C
D
P
V
I
L
E
P
M
M
K
V
T
I
E
M
P
E
E
Y
M
G
D
I
M
G
D
V
T
S
R
R
G
R
V
D
G
M
E
P
R
G
N
A
Q
--
V
V
N
A
Y
V
P
L
S
E
M
F
G
Y
A
T
S
L
R
S
N
T
Q
G
R
G
T
Y
T
M
Y
F
D
H
Y
A
E
V
P
K
S
I
A
E
D
I
-----
1
PsiBlast_PDB
94.87
33%
-92
- C1 -
2XEX
2
EFG_STAAU
A:
[11-686]
-----------------------
R
N
I
G
I
M
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
-------------------------
T
S
A
A
T
T
A
A
---------
W
E
G
H
R
V
N
I
I
D
T
P
G
H
V
D
F
T
V
E
V
E
R
S
L
R
V
L
D
G
A
V
T
V
L
D
A
Q
S
G
V
E
P
Q
T
E
T
V
W
R
Q
A
T
T
Y
G
V
P
R
I
V
F
V
N
K
M
D
K
L
G
A
N
F
E
Y
S
V
S
T
L
H
D
R
L
Q
A
N
A
A
P
I
Q
L
P
-----
I
G
AEDEF
E
-----
A
I
I
D
L
V
E
M
K
C
F
K
Y
T
N
DL
G
---
T
E
--
I
E
--
E
-----
I
E
-
I
P
E
D
H
L
D
R
A
E
E
A
R
A
S
L
I
E
A
V
A
E
T
S
D
E
----
L
M
E
K
Y
L
G
D
E
E
I
S
V
S
E
L
K
E
A
I
R
Q
A
T
T
N
V
E
F
Y
P
V
L
C
G
T
A
F
K
N
K
G
V
Q
L
M
L
D
A
V
I
D
Y
L
P
S
P
L
D
V
K
--
P
I
I
G
H
R
A
S
N
P
E
-
E
E
V
I
A
K
A
D
D
S
A
E
F
A
A
L
A
F
K
V
M
T
D
P
Y
V
G
K
L
T
F
F
R
V
Y
S
G
T
M
--------
T
S
G
---
S
Y
V
K
N
S
T
K
G
K
R
------
E
R
V
G
R
L
L
Q
M
H
A
N
S
R
Q
E
I
D
T
V
Y
S
G
D
I
A
A
A
V
G
L
K
D
T
G
T
G
D
T
L
--
C
G
E
K
N
D
-
I
--
I
L
E
S
M
E
F
P
E
P
V
I
H
L
S
V
E
P
K
S
K
A
D
Q
D
K
M
T
Q
A
L
V
K
L
Q
E
E
D
P
T
F
H
A
H
T
---
T
G
Q
V
I
I
G
G
M
G
E
L
H
L
D
I
L
V
D
R
M
K
K
E
F
N
V
E
C
N
V
G
A
P
M
V
S
Y
R
E
T
F
K
S
S
A
Q
V
-
Q
G
K
F
S
R
Q
S
G
G
R
G
Q
Y
G
D
V
H
I
E
F
T
P
N
E
T
G
A
---
G
F
E
F
E
N
A
I
V
G
G
V
V
P
R
E
Y
I
P
S
V
E
A
G
L
K
D
A
M
E
N
G
V
L
A
G
Y
P
L
I
D
V
K
A
K
L
Y
D
G
S
Y
H
D
V
D
S
S
E
M
A
F
K
I
A
A
S
L
A
L
K
E
A
A
K
K
C
D
P
V
I
L
E
P
M
M
K
V
T
I
E
M
P
E
E
Y
M
G
D
I
M
G
D
V
T
S
R
R
G
R
V
D
G
M
E
P
R
G
N
A
Q
--
V
V
N
A
Y
V
P
L
S
E
M
F
G
Y
A
T
S
L
R
S
N
T
Q
G
R
G
T
Y
T
M
Y
F
D
H
Y
A
E
V
P
K
S
I
A
E
D
I
-----
60
HHSearch
94.39
37%
-89
- C1 -
2DY1
2
?
A:
[6-660]
-------------------
G
A
M
I
R
T
V
A
L
V
G
H
A
G
S
G
K
T
T
L
T
E
A
L
L
Y
K
T
G
A
K
E
R
R
G
R
V
E
E
G
T
T
T
T
D
Y
T
P
E
A
K
L
H
R
T
T
V
R
T
G
V
A
P
L
L
---------
F
R
G
H
R
V
F
L
L
D
A
P
G
Y
G
D
F
V
G
E
I
R
G
A
L
E
A
A
D
A
A
L
V
A
V
S
A
E
A
G
V
Q
V
G
T
E
R
A
W
T
V
A
E
R
L
G
L
P
R
M
V
V
V
T
K
L
D
K
G
G
-
D
Y
Y
A
L
L
E
D
L
R
S
T
L
G
P
-
I
L
P
I
D
L
P
L
Y
E
GG
K
W
-----
V
-----
G
L
I
D
V
F
H
G
K
A
Y
R
Y
E
N
--
G
---
E
E
R
-
E
A
--
E
-----
V
P
-
P
E
E
R
--
E
R
V
Q
R
F
R
Q
E
V
L
E
A
I
V
E
T
D
----
E
G
L
L
E
K
Y
L
E
G
E
E
V
T
G
E
A
L
E
K
A
F
H
E
A
V
R
R
G
L
L
Y
P
V
A
L
A
S
G
E
R
E
I
G
V
L
P
L
L
E
L
I
L
E
A
L
P
S
P
T
E
R
----------------------
F
G
D
G
P
P
L
A
K
V
F
K
V
Q
V
D
P
F
M
G
Q
V
A
Y
L
R
L
Y
R
G
R
L
K
P
-
G
D
S
L
Q
S
E
A
G
------------------
Q
V
R
L
P
H
L
Y
V
P
M
G
K
D
L
L
E
V
E
E
A
E
A
G
F
V
L
G
V
P
K
A
E
G
L
H
R
G
M
V
L
--
W
Q
G
E
K
P
-
E
SE
E
V
P
F
A
R
L
P
D
P
N
V
P
V
A
L
H
P
K
G
R
T
D
E
A
R
L
G
E
A
L
R
K
L
L
E
E
D
P
S
L
K
L
E
R
Q
E
E
T
G
E
L
L
L
W
G
H
G
E
L
H
L
A
T
A
K
E
R
L
Q
-
D
Y
G
V
E
V
E
F
S
V
P
K
V
P
Y
R
E
T
I
K
K
V
A
E
G
-
Q
G
K
Y
K
K
Q
T
G
G
H
G
Q
Y
G
D
V
W
L
R
L
E
P
A
S
------
E
Y
G
F
E
W
R
I
T
G
G
V
I
P
S
K
Y
Q
E
A
I
E
E
G
I
K
E
A
A
K
K
G
V
L
A
G
F
P
V
M
G
F
K
A
I
V
Y
N
G
S
Y
H
E
V
D
S
S
D
L
A
F
Q
I
A
A
S
L
A
F
K
K
V
M
A
E
A
H
P
V
L
L
E
P
I
Y
R
L
K
V
L
A
P
Q
E
R
V
G
D
V
L
S
D
L
Q
A
R
R
G
R
I
L
G
--
M
E
Q
E
G
A
L
S
V
V
H
A
E
V
P
L
A
E
V
L
E
Y
Y
K
A
L
P
G
L
T
G
G
A
G
A
Y
T
L
E
F
S
H
Y
A
E
V
P
P
H
L
A
Q
R
I
V
Q
E
--
81
Fugue
93.26
34%
-86
- C1 -
4M1K
2
?
A:
[6-688]
----------------
E
Y
D
L
K
R
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
A
---------------------------
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
-----
R
EDTFS
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
DL
G
---
T
D
--
I
R
--
E
-----
I
P
I
P
E
E
Y
-
L
D
Q
A
R
E
Y
H
E
K
L
V
E
V
A
A
D
F
--
D
--
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
N
T
----------------
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
L
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
-
N
A
-
Q
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
8
PsiBlast_PDB
92.78
35%
-91
- C1 -
2DY1
2
?
A:
[9-657]
----------------------
I
R
T
V
A
L
V
G
H
A
G
S
G
K
T
T
L
T
E
A
L
L
Y
K
T
G
A
K
E
R
R
G
R
V
E
E
G
T
T
T
T
D
Y
T
P
E
A
K
L
H
R
T
T
V
R
T
G
V
A
P
L
L
---------
F
R
G
H
R
V
F
L
L
D
A
P
G
Y
G
D
F
V
G
E
I
R
G
A
L
E
A
A
D
A
A
L
V
A
V
S
A
E
A
G
V
Q
V
G
T
E
R
A
W
T
V
A
E
R
L
G
L
P
R
M
V
V
V
T
K
L
D
K
G
-
G
D
Y
Y
A
L
L
E
D
L
R
S
T
L
G
P
-
I
L
P
I
D
L
P
-----
L
Y
-----
E
GGKWV
G
L
I
D
V
F
H
G
K
A
Y
R
Y
E
N
--
G
E
--
E
R
--
E
A
--
E
-----
V
P
-
P
E
-
E
-
R
E
R
V
Q
R
F
R
Q
E
V
L
E
A
I
V
E
--
T
D
--
E
G
L
L
E
K
Y
L
E
G
E
E
V
T
G
E
A
L
E
K
A
F
H
E
A
V
R
R
G
L
L
Y
P
V
A
L
A
S
G
E
R
E
I
G
V
L
P
L
L
E
L
I
L
E
A
L
P
S
P
T
E
R
----------------------
F
G
D
G
P
P
L
A
K
V
F
K
V
Q
V
D
P
F
M
G
Q
V
A
Y
L
R
L
Y
R
G
R
L
K
P
G
D
S
L
Q
S
E
A
G
Q
V
-------------------
R
L
P
H
L
Y
V
P
M
G
K
D
L
L
E
V
E
E
A
E
A
G
F
V
L
G
V
P
K
A
E
G
L
H
R
G
M
V
L
W
Q
G
E
K
P
E
S
-
E
--
E
V
P
F
A
R
L
P
D
P
N
V
P
V
A
L
H
P
K
G
R
T
D
E
A
R
L
G
E
A
L
R
K
L
L
E
E
D
P
S
L
K
L
E
R
Q
E
E
T
G
E
L
L
L
W
G
H
G
E
L
H
L
A
T
A
K
E
R
L
Q
D
-
Y
G
V
E
V
E
F
S
V
P
K
V
P
Y
R
E
T
I
K
K
V
A
E
G
-
Q
G
K
Y
K
K
Q
T
G
G
H
G
Q
Y
G
D
V
W
L
R
L
E
P
A
S
E
-
Y
---
G
F
E
W
--
R
I
T
G
G
V
I
P
S
K
Y
Q
E
A
I
E
E
G
I
K
E
A
A
K
K
G
V
L
A
G
F
P
V
M
G
F
K
A
I
V
Y
N
G
S
Y
H
E
V
D
S
S
D
L
A
F
Q
I
A
A
S
L
A
F
K
K
V
M
A
E
A
H
P
V
L
L
E
P
I
Y
R
L
K
V
L
A
P
Q
E
R
V
G
D
V
L
S
D
L
Q
A
R
R
G
R
I
L
G
M
E
Q
E
G
-
A
L
-
S
V
V
H
A
E
V
P
L
A
E
V
L
E
Y
Y
K
A
L
P
G
L
T
G
G
A
G
A
Y
T
L
E
F
S
H
Y
A
E
V
P
P
H
L
A
Q
R
I
-----
2
PsiBlast_PDB
92.74
33%
-91
- C1 -
2BM1
2
EFG_THETH
A:
[12-688]
----------------------
L
R
N
I
V
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
-------------------------
I
T
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
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P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
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L
A
E
E
D
P
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F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
3
PsiBlast_PDB
92.37
33%
-89
- C1 -
2OM7
-
?
L:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
----------------------------
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
FD
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
9
PsiBlast_PDB
92.00
33%
-88
- C1 -
2J7K
2
EFG_THETH
A:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
------------------------
I
T
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
A
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
12
PsiBlast_PDB
91.90
33%
-88
- C1 -
1FNM
2
EFG_THETH
A:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
----------------------------
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
A
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
7
PsiBlast_PDB
91.69
35%
-88
- C1 -
1WDT
2
?
A:
[9-657]
----------------------
I
R
T
V
A
L
V
G
H
A
G
S
G
K
T
T
L
T
E
A
L
L
Y
K
T
G
A
K
E
R
R
G
R
V
E
E
G
T
T
T
T
D
Y
T
P
E
A
K
L
H
R
T
T
V
R
T
G
V
A
P
L
L
---------
F
R
G
H
R
V
F
L
L
D
A
P
G
Y
G
D
F
V
G
E
I
R
G
A
L
E
A
A
D
A
A
L
V
A
V
S
A
E
A
G
V
Q
V
G
T
E
R
A
W
T
V
A
E
R
L
G
L
P
R
M
V
V
V
T
K
L
D
K
G
-
G
D
Y
Y
A
L
L
E
D
L
R
S
T
L
G
P
-
I
L
P
I
D
L
P
-----
L
Y
-----
E
GGKWV
G
L
I
D
V
F
H
G
K
A
Y
R
Y
E
N
--
G
E
--
E
R
--
E
A
--
E
-----
V
P
-
P
E
-
E
-
R
E
R
V
Q
R
F
R
Q
E
V
L
E
A
I
V
E
--
T
D
--
E
G
L
L
E
K
Y
L
E
G
E
E
V
T
G
E
A
L
E
K
A
F
H
E
A
V
R
R
G
L
L
Y
P
V
A
L
A
S
G
E
R
E
I
G
V
L
P
L
L
E
L
I
L
E
A
L
P
S
P
T
E
R
----------------------
F
G
D
G
P
P
L
A
K
V
F
K
V
Q
V
D
P
F
M
G
Q
V
A
Y
L
R
L
Y
R
G
R
L
K
P
G
D
S
L
Q
S
E
A
G
Q
V
-------------------
R
L
P
H
L
Y
V
P
M
G
K
D
L
L
E
V
E
E
A
E
A
G
F
V
L
G
V
P
K
A
E
G
L
H
R
G
M
V
L
W
Q
G
E
K
P
E
S
-
E
--
E
V
P
F
A
R
L
P
D
P
N
V
P
V
A
L
H
P
K
G
R
T
D
E
A
R
L
G
E
A
L
R
K
L
L
E
E
D
P
S
L
K
L
E
R
Q
E
E
T
G
E
L
L
L
W
G
H
G
E
L
H
L
A
T
A
K
E
R
L
Q
D
-
Y
G
V
E
V
E
F
S
V
P
K
V
P
Y
R
E
T
I
K
K
V
A
E
G
-
Q
G
K
Y
K
K
Q
T
G
G
H
G
Q
Y
G
D
V
W
L
R
L
E
P
A
S
E
-
Y
---
G
F
E
W
--
R
I
T
G
G
V
I
P
S
K
Y
Q
E
A
I
E
E
G
I
K
E
A
A
K
K
G
V
L
A
G
F
P
V
M
G
F
K
A
I
V
Y
N
G
S
Y
H
E
V
D
S
S
D
L
A
F
Q
I
A
A
S
L
A
F
K
K
V
M
A
E
A
H
P
V
L
L
E
P
I
Y
R
L
K
V
L
A
P
Q
E
R
V
G
D
V
L
S
D
L
Q
A
R
R
G
R
I
L
G
M
E
Q
E
G
-
A
L
-
S
V
V
H
A
E
V
P
L
A
E
V
L
E
Y
Y
K
A
L
P
G
L
T
G
G
A
G
A
Y
T
L
E
F
S
H
Y
A
E
V
P
P
H
L
A
Q
R
I
-----
10
PsiBlast_PDB
91.42
33%
-85
- C1 -
4M1K
2
?
A:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
---------------------------
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
L
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
14
PsiBlast_PDB
91.41
33%
-90
- C1 -
2BM0
2
?
A:
[12-689]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
K
I
A
--------------------
T
I
T
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
A
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
K
---
11
PsiBlast_PDB
90.81
33%
-85
- C1 -
4MYU
2
EFG_THETH
A:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
----------------------------
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
K
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
6
PsiBlast_PDB
89.81
33%
-83
- C1 -
4MYT
2
EFG_THETH
A:
[12-688]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
---------------------------
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
Q
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
F
D
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
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S
I
E
V
P
E
P
V
I
D
V
A
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K
T
K
A
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Q
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K
L
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A
L
A
R
L
A
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T
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T
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G
M
G
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L
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L
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L
K
R
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F
K
V
D
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V
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K
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V
A
Y
R
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I
T
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P
V
D
V
-
E
G
K
F
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T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
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K
G
I
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E
A
M
Q
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G
P
L
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P
V
V
D
I
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V
T
L
Y
D
G
S
Y
H
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D
S
S
A
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
----
83
Fugue
87.55
34%
-79
- C1 -
1ELO
-
?
?:
[5-689]
---------------
V
E
Y
D
L
K
R
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
----------------------------
R
I
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
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M
R
V
L
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A
I
V
V
F
D
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S
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G
V
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Q
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W
R
Q
A
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K
Y
K
V
P
R
I
A
F
A
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K
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A
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L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
-----
R
EDTFS
G
I
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L
R
M
K
A
Y
T
Y
G
N
--
D
LGT
D
I
--
R
E
--
I
-----
P
I
-
P
E
E
Y
-
L
D
Q
A
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--
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--
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L
L
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V
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-
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--
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--
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Y
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T
L
T
S
-
G
S
Y
V
Y
----------------
N
T
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
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V
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L
K
A
G
D
L
G
A
V
V
G
L
K
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I
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G
D
T
L
--
V
G
E
D
A
P
-
R
--
V
I
L
I
D
V
A
I
E
P
K
----------------
S
Q
A
L
A
R
L
A
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D
P
T
F
R
V
S
T
H
P
Q
T
---
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
-----
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
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Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
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D
P
V
I
L
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R
V
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V
T
T
P
E
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M
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D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
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P
R
G
N
A
--
Q
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
K
---
15
PsiBlast_PDB
87.48
33%
-73
- C1 -
3IZP
-
?
E:
[12-687]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
K
I
G
E
V
H
E
G
A
A
T
M
D
F
M
E
Q
E
R
E
R
G
I
T
I
T
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
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V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
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P
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S
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T
V
W
R
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A
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K
Y
K
V
P
R
I
A
F
A
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K
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A
D
L
W
L
V
I
R
T
M
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R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
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M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
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A
R
-
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L
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V
A
A
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FD
E
N
I
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L
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L
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A
A
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A
L
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N
K
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L
L
L
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A
V
V
D
Y
L
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P
L
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-
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-
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-
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--
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A
L
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V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
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E
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L
K
A
G
D
L
G
A
V
V
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L
K
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--
V
G
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A
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--
I
L
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I
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P
E
P
V
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A
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A
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A
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A
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L
A
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D
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T
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P
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T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
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F
K
V
D
A
N
V
G
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P
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V
A
Y
R
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T
I
T
K
P
V
D
V
-
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G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
A
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
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Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
-----
17
PsiBlast_PDB
86.83
32%
-75
- C1 -
3J0E
2
EFG_ECOLI
H:
[10-697]
-----------------------
R
N
I
G
I
S
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
F
Y
T
G
V
N
H
K
I
G
E
V
H
D
G
A
A
T
M
D
W
M
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Q
E
--
Q
E
R
G
I
T
I
T
S
A
A
T
T
AFWSGMAKQ
Y
E
P
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
V
M
V
Y
C
A
V
G
G
V
Q
P
Q
S
E
T
V
W
R
Q
A
N
K
Y
K
V
P
R
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A
F
V
N
K
M
D
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A
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F
L
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V
V
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Q
I
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T
R
L
G
A
N
P
V
P
L
Q
L
A
-----
I
G
AEEHF
T
-----
G
V
V
D
L
V
K
M
K
A
I
N
W
N
D
--
A
---
D
Q
--
G
V
--
T
FEYED
I
P
-
A
D
M
--
V
E
L
A
N
E
W
H
Q
N
L
I
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S
A
A
E
A
S
E
E
----
L
M
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K
Y
L
G
G
E
E
L
T
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A
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K
G
A
L
R
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R
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L
N
N
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A
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R
----------------
E
R
F
G
R
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Q
M
H
A
N
K
R
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K
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V
R
A
G
D
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A
A
A
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L
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D
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T
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--
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D
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-
I
--
I
L
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M
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F
P
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P
V
I
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I
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V
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P
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T
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A
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M
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L
A
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A
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F
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V
W
T
D
E
E
S
N
Q
T
I
I
A
G
M
G
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L
H
L
D
I
I
V
D
R
M
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R
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F
N
V
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A
N
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G
K
P
Q
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A
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R
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T
I
R
Q
K
V
T
D
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G
K
H
A
K
Q
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G
G
R
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Q
Y
G
H
V
V
I
D
M
Y
P
L
E
P
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S
NPK
G
Y
E
F
I
N
D
I
K
G
G
V
I
P
G
E
Y
I
P
A
V
D
K
G
I
Q
E
Q
L
K
A
G
P
L
A
G
Y
P
V
V
D
M
G
I
R
L
H
F
G
S
Y
H
D
V
D
S
S
E
L
A
F
K
L
A
A
S
I
A
F
K
E
G
F
K
K
A
K
P
V
L
L
E
P
I
M
K
V
E
V
E
T
P
E
E
N
T
G
D
V
I
G
D
L
S
R
R
R
G
M
L
K
G
Q
E
S
E
V
T
G
--
V
K
I
H
A
E
V
P
L
S
E
M
F
G
Y
A
T
Q
L
R
S
L
T
K
G
R
A
S
Y
T
M
E
F
L
K
Y
D
E
A
P
S
N
V
A
Q
A
V
-----
4
PsiBlast_PDB
86.57
33%
-80
- C1 -
2EFG
1
EFG_THET8
A:
[12-689]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
---------------------------
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
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T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
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D
--
I
-----
R
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I
P
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Y
L
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L
V
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A
A
D
F
D
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N
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M
L
K
Y
L
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E
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L
V
A
A
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G
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L
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L
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A
L
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N
K
G
V
Q
L
L
L
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A
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V
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L
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L
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-
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-
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G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
--------------------------------------------------------------------------
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
K
---
5
PsiBlast_PDB
70.13
33%
48
- C- -
1JQM
-
EFG_THETH
B:
[12-690]
----------------------
L
R
N
I
G
I
A
A
H
I
D
A
G
K
T
T
T
T
E
R
I
L
Y
Y
T
G
R
I
H
K
I
G
E
V
H
E
G
A
A
T
M
D
F
M
E
Q
E
R
E
R
G
I
T
I
T
A
A
V
T
T
C
F
---------
W
K
D
H
R
I
N
I
I
D
T
P
G
H
V
D
F
T
I
E
V
E
R
S
M
R
V
L
D
G
A
I
V
V
F
D
S
S
Q
G
V
E
P
Q
S
E
T
V
W
R
Q
A
E
K
Y
K
V
P
R
I
A
F
A
N
K
M
D
K
T
G
A
D
L
W
L
V
I
R
T
M
Q
E
R
L
G
A
R
P
V
V
M
Q
L
P
-----
I
G
REDTF
S
-----
G
I
I
D
V
L
R
M
K
A
Y
T
Y
G
N
--
D
---
L
G
--
T
D
--
I
-----
R
E
-
I
P
I
P
-
E
E
Y
L
D
N
A
R
-
E
Y
H
E
K
L
V
E
V
A
A
D
FD
E
N
I
M
L
K
Y
L
E
G
E
E
P
T
E
E
E
L
V
A
A
I
R
K
G
T
I
D
L
K
I
T
P
V
F
L
G
S
A
L
K
N
K
G
V
Q
L
L
L
D
A
V
V
D
Y
L
P
S
P
L
D
I
P
-
P
I
K
G
T
T
P
E
G
-
E
V
-
V
E
I
--
H
P
D
P
N
G
P
L
A
A
L
A
F
K
I
M
A
D
P
Y
V
G
R
L
T
F
I
R
V
Y
S
G
T
L
T
S
-
G
S
Y
V
Y
--------------
N
T
--
T
K
G
R
K
E
R
V
A
R
L
L
R
M
H
A
N
H
R
E
E
V
E
E
L
K
A
G
D
L
G
A
V
V
G
L
K
E
T
I
T
G
D
T
L
--
V
G
E
D
A
P
R
V
--
I
L
E
S
I
E
V
P
E
P
V
I
D
V
A
I
E
P
K
T
K
A
D
Q
E
K
L
S
Q
A
L
A
R
L
A
E
E
D
P
T
F
R
V
S
T
H
P
E
T
G
Q
T
I
I
S
G
M
G
E
L
H
L
E
I
I
V
D
R
L
K
R
E
F
K
V
D
A
N
V
G
K
P
Q
V
A
Y
R
E
T
I
T
K
P
V
D
V
-
E
G
K
F
I
R
Q
T
G
G
R
G
Q
Y
G
H
V
K
I
K
V
E
P
L
P
R
G
S
---
G
F
E
F
V
N
A
I
V
G
G
V
I
P
K
E
Y
I
P
A
V
Q
K
G
I
E
E
A
M
Q
S
G
P
L
I
G
F
P
V
V
D
I
K
V
T
L
Y
D
G
S
Y
H
E
V
D
S
S
E
M
A
F
K
I
A
G
S
M
A
I
K
E
A
V
Q
K
G
D
P
V
I
L
E
P
I
M
R
V
E
V
T
T
P
E
E
Y
M
G
D
V
I
G
D
L
N
A
R
R
G
Q
I
L
G
M
E
P
R
G
N
A
Q
--
V
I
R
A
F
V
P
L
A
E
M
F
G
Y
A
T
D
L
R
S
K
T
Q
G
R
G
S
F
V
M
F
F
D
H
Y
Q
E
V
P
K
Q
V
Q
E
K
L
I
K
G
--