@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 : Rv3240c: (2016-05-18 )
MLSKLLRLGEGRMVKRLKKVADYVGTLSDDVEKLTDAELRAKTDEFKRRLADQKNPETLDDLLPEAFAVAREAAWRVLDQRPFDVQVMGAAALHLGNVAEMKTGEGKTLTCVLPAYLNALAGNGVHIVTVNDYLAKRDSEWMGRVHRFLGLQVGVILATMTPDERRVAYNADITYGTNNEFGFDYLRDNMAHSLDDLVQRGHHYAIVDEVDSILIDEARTPLIISGPADGASNWYTEFARLAPLMEKDVHYEVDLRKRTVGVHEKGVEFVEDQLGIDNLYEAANSPLVSYLNNALKAKELFSRDKDYIVRDGEVLIVDEFTGRVLIGRRYNEGMHQAIEAKEHVEIKAENQTLATITLQNYFRLYDKLAGMTGTAQTEAAELHEIYKLGVVSIPTNMPMIREDQSDLIYKTEEAKYIAVVDDVAERYAKGQPVLIGTTSVERSEYLSRQFTKRRIPHNVLNAKYHEQEATIIAVAGRRGGVTVATNMAGRGTDIVLGGNVDFLTDQRLRERGLDPVETPEEYEAAWHSELPIVKEEASKEAKEVIEAGGLYVLGTERHESRRIDNQLRGRSGRQGDPGESRFYLSLGDELMRRFNGAALETLLTRLNLPDDVPIEAKMVTRAIKSAQTQVEQQNFEVRKNVLKYDEVMNQQRKVIYAERRRILEGENLKDQALDMVRDVITAYVDGATGEGYAEDWDLDALWTALKTLYPVGITADSLTRKDHEFERDDLTREELLEALLKDAERAYAAREAELEEIAGEGAMRQLERNVLLNVIDRKWREHLYEMDYLKEGIGLRAMAQRDPLVEYQREGYDMFMAMLDGMKEESVGFLFNVTVEAVPAPPVAPAAEPAELAEFAAAAAAAAQQRSAVDGGARERAPSALRAKGVASESPALTYSGPAEDGSAQVQRNGGGAHKTPAGVPAGASRRERREAARRQGRGAKPPKSVKKR
Atome Classification :
(20 SA)
---........--.10.....-...20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150......-----------------------.160-------------------------------------------------..---------------------------......170.......180.......190.......200-..---.......210.......220.......230.......240...-----------..------------..250.......260.......270..---..----...280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450---------------------------------------------------------------------------.----------------------------------------------------------------------------.......460.......470.......480.......490.......500.......510...------------...----------------------.-----520.......530----------.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660...--...--.670.......680....-...-690........700.......710.-......720.......-730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---
M
L
S
K
L
L
R
L--GE
G
R
M
V
K
R
-
L
K
K
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
LRA
K
T
D
E
F
K
R
R
LADQKNP
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
DQRPF
D
V
Q
V
M
G
A
A
A
L
HLG
N
V
A
EMKTGEG
K
T
L
T
C
V
L
P
A
Y
L
N
A
LAGN
G
V
H
I
V
TV
N
D
Y
L
A
KR
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
I
L
A
-----------------------TMT--------------------------------------------------PD---------------------------E
R
R
V
A
Y
N
A
D
I
T
YGTNNE
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
QR---GH---
H
Y
A
I
V
D
E
V
D
S
I
L
IDEART
P
L
I
I
SGPADG
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
-----------EK------------D
V
H
Y
E
V
D
L
R
K
R
TVGV
H
E
K
G
V
E
F
V
E
D
QL---G
I
----
D
N
L
Y
E
A
AN
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
FSRDK
D
Y
I
VRDG
E
V
L
I
V
DEFT
G
R
V
L
I
GRRYN
E
G
M
H
Q
A
IEAK
E
H
V
E
I
K
AEN
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
LAGMTGTAQ
T
E
A
A
E
L
H
E
I
Y
KLG
V
V
SIPTNMPMIREDQS
D
L
I
Y
KTEE
A
K
Y
I
A
V
V
D
D
V
A
E
R
YAKGQ
P
V
L
I
GTTS
V
E
R
S
E
Y
L
S
R
Q
F
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------RRIP
H
N
V
LN
A
K
Y
HEQ
E
A
T
I
I
A
V
AGRRG
G
V
T
V
A
TNMAGRG
T
D
I
V
LGGNVDFL
T
D
Q
R
L
R
E
RGLDP------------VE
T
----------------------
P
-----
E
E
Y
E
A
A
W
HSELPI----------
V
K
E
E
A
S
K
E
A
K
E
V
I
E
AG
G
L
Y
V
LGTERH
E
S
R
R
I
D
N
Q
LRGRSGRQGDPGE
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
FN
G
A
A
L
E
T
L
L
T
RLNLPDDVP
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
ILEG--EN
L
--
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
Y
VDG-ATG-EG-YAEDW
D
L
D
A
L
W
T
A
L
K
T
LYPVGI-
T
A
D
SLTRKDHEFERDD-L
T
R
E
E
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
AG
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
EGIGL
R
A
M
AQRD
P
L
V
E
Y
Q
RE
G
Y
D
M
F
M
A
M
LDGMKEESV
G
F
L
F
N
V
T
V
E
AVPAPPVAPAA
E
P
A
E
L
A
E
F
A
A
A
A
A
A
A
A
Q
Q
R
SAVDGGARERAP
S
A
L
R
AKGVASES
P
A
L
T
YSGPAEDGS
A
Q
V
QRNGGGAHKTPAGVPAG
A
S
R
R
E
R
R
E
A
A
R
RQGRGAKP
P
K
SVKKR
2
PsiBlast_PDB
94.67
99%
-77
- C2 -
1NL3
-
SECA1_MYCTU
A:
[1-835]
---
I
L
S
K
L
L
R
L
--
G
E
G
R
M
V
K
R
-
L
K
K
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
D
Q
K
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
I
L
A
-----------------------
T
M
T
--------------------------------------------------
P
D
---------------------------
E
R
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
H
---
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
-----------
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
---
G
I
----
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
N
V
D
F
L
T
D
Q
R
L
R
E
R
G
L
D
P
------------
V
E
T
----------------------
P
-----
E
E
Y
E
A
A
W
H
S
E
L
P
I
----------
V
K
E
E
A
S
K
E
A
K
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
--
E
N
L
--
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
Y
V
D
G
-
A
T
G
-
E
G
-
Y
A
E
D
W
D
L
D
A
L
W
T
A
L
K
T
L
Y
P
V
G
I
-
T
A
D
S
L
T
-------------
R
E
E
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
A
G
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
------------------------------------------------------------------------------------------------------------------
28
HHSearch
94.35
100%
-78
- C2 -
1NKT
2
SECA1_MYCTU
A:
[32-865]
----
L
S
K
L
L
R
L
--
G
E
G
R
M
V
K
R
-
L
K
K
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
D
Q
K
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
I
L
A
-----------------------
T
M
T
--------------------------------------------------
P
D
---------------------------
E
R
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
H
---
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
-----------
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
---
G
I
----
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
N
V
D
F
L
T
D
Q
R
L
R
E
R
G
L
D
P
------------
V
E
T
----------------------
P
-----
E
E
Y
E
A
A
W
H
S
E
L
P
I
----------
V
K
E
E
A
S
K
E
A
K
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
--
E
N
L
--
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
Y
V
D
G
-
A
T
G
-
E
G
-
Y
A
E
D
W
D
L
D
A
L
W
T
A
L
K
T
L
Y
P
V
G
I
-
T
A
D
S
L
T
----------------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
A
G
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
94.13
99%
-81
- C2 -
1NKT
2
SECA1_MYCTU
B:
[31-865]
---
I
L
S
K
L
L
R
L
--
G
E
G
R
M
V
K
R
-
L
K
K
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
D
Q
K
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
I
L
A
-----------------------
T
M
T
--------------------------------------------------
P
D
---------------------------
E
R
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
H
---
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
-----------
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
---
G
I
----
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
N
V
D
F
L
T
D
Q
R
L
R
E
R
G
L
D
P
------------
V
E
T
----------------------
P
-----
E
E
Y
E
A
A
W
H
S
E
L
P
I
----------
V
K
E
E
A
S
K
E
A
K
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
--
E
N
L
--
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
Y
V
D
G
-
A
T
G
-
E
G
-
Y
A
E
D
W
D
L
D
A
L
W
T
A
L
K
T
L
Y
P
V
G
I
-
T
A
D
S
L
T
----------------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
A
G
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
93.94
99%
-79
- C2 -
1NKT
2
SECA1_MYCTU
A:
[31-865]
---
I
L
S
K
L
L
R
L
--
G
E
G
R
M
V
K
R
-
L
K
K
V
A
D
Y
V
G
T
L
S
D
D
V
E
K
L
T
D
A
E
L
R
A
K
T
D
E
F
K
R
R
L
A
D
Q
K
N
P
E
T
L
D
D
L
L
P
E
A
F
A
V
A
R
E
A
A
W
R
V
L
D
Q
R
P
F
D
V
Q
V
M
G
A
A
A
L
H
L
G
N
V
A
E
M
K
T
G
E
G
K
T
L
T
C
V
L
P
A
Y
L
N
A
L
A
G
N
G
V
H
I
V
T
V
N
D
Y
L
A
K
R
D
S
E
W
M
G
R
V
H
R
F
L
G
L
Q
V
G
V
I
L
A
-----------------------
T
M
T
--------------------------------------------------
P
D
---------------------------
E
R
R
V
A
Y
N
A
D
I
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
M
A
H
S
L
D
D
L
V
Q
R
---
G
H
---
H
Y
A
I
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
D
G
A
S
N
W
Y
T
E
F
A
R
L
A
P
L
M
-----------
E
K
------------
D
V
H
Y
E
V
D
L
R
K
R
T
V
G
V
H
E
K
G
V
E
F
V
E
D
Q
L
---
G
I
----
D
N
L
Y
E
A
A
N
S
P
L
V
S
Y
L
N
N
A
L
K
A
K
E
L
F
S
R
D
K
D
Y
I
V
R
D
G
E
V
L
I
V
D
E
F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
E
H
V
E
I
K
A
E
N
Q
T
L
A
T
I
T
L
Q
N
Y
F
R
L
Y
D
K
L
A
G
M
T
G
T
A
Q
T
E
A
A
E
L
H
E
I
Y
K
L
G
V
V
S
I
P
T
N
M
P
M
I
R
E
D
Q
S
D
L
I
Y
K
T
E
E
A
K
Y
I
A
V
V
D
D
V
A
E
R
Y
A
K
G
Q
P
V
L
I
G
T
T
S
V
E
R
S
E
Y
L
S
R
Q
F
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
R
R
I
P
H
N
V
L
N
A
K
Y
H
E
Q
E
A
T
I
I
A
V
A
G
R
R
G
G
V
T
V
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
N
V
D
F
L
T
D
Q
R
L
R
E
R
G
L
D
P
------------
V
E
T
----------------------
P
-----
E
E
Y
E
A
A
W
H
S
E
L
P
I
----------
V
K
E
E
A
S
K
E
A
K
E
V
I
E
A
G
G
L
Y
V
L
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
E
S
R
F
Y
L
S
L
G
D
E
L
M
R
R
F
N
G
A
A
L
E
T
L
L
T
R
L
N
L
P
D
D
V
P
I
E
A
K
M
V
T
R
A
I
K
S
A
Q
T
Q
V
E
Q
Q
N
F
E
V
R
K
N
V
L
K
Y
D
E
V
M
N
Q
Q
R
K
V
I
Y
A
E
R
R
R
I
L
E
G
--
E
N
L
--
K
D
Q
A
L
D
M
V
R
D
V
I
T
A
Y
V
D
G
-
A
T
G
-
E
G
-
Y
A
E
D
W
D
L
D
A
L
W
T
A
L
K
T
L
Y
P
V
G
I
-
T
A
D
S
L
T
----------------
L
L
E
A
L
L
K
D
A
E
R
A
Y
A
A
R
E
A
E
L
E
E
I
A
G
E
G
A
M
R
Q
L
E
R
N
V
L
L
N
V
I
D
R
K
W
R
E
H
L
Y
E
M
D
Y
L
K
E
G
I
G
L
R
A
M
A
Q
R
D
P
L
V
E
Y
Q
R
E
G
Y
D
M
F
M
A
M
L
D
G
M
K
E
E
S
V
G
F
L
F
N
V
T
V
------------------------------------------------------------------------------------------------------------------
53
Fugue
83.39
53%
-59
- C2 -
2IPC
-
SECA_THET8
A:
[1-939]
MLG
L
L
R
R
L
F
D
N
--
N
E
R
E
I
A
R
Y
-
Y
K
Q
V
V
E
P
V
N
R
L
E
A
E
V
E
K
L
P
D
--
L
A
A
A
Y
R
E
L
K
E
K
H
E
K
G
A
S
---
L
D
E
L
L
P
M
A
F
A
L
T
R
E
S
A
K
R
Y
L
G
M
R
H
F
D
V
Q
L
I
G
G
A
V
L
H
E
G
K
I
A
E
M
K
T
G
E
G
K
T
L
V
A
T
L
A
V
A
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
R
R
D
A
E
W
M
G
P
V
Y
R
G
L
G
L
S
V
G
V
I
Q
H
-----------------------
A
S
T
--------------------------------------------------
P
A
---------------------------
E
R
R
K
A
Y
L
A
D
V
T
Y
V
T
N
S
E
L
G
F
D
Y
L
R
D
N
M
A
I
S
P
D
Q
L
V
L
R
---
H
D
HPL
H
Y
A
I
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
K
A
T
D
L
Y
Y
K
M
A
E
I
A
K
K
L
-----------
E
R
G
L
P
A
EPGVRKEP
T
G
D
Y
T
V
E
E
K
N
R
S
V
H
L
T
L
Q
G
I
A
K
A
E
K
L
L
---
G
I
----
E
G
L
F
S
P
E
N
M
E
L
A
H
M
L
I
Q
A
I
R
A
K
E
L
Y
H
R
D
R
D
Y
I
V
Q
D
G
Q
V
I
I
V
D
E
F
T
G
R
L
M
P
G
R
R
Y
G
E
G
L
H
Q
A
I
E
A
K
E
G
V
R
I
E
R
E
N
Q
T
L
A
T
I
T
Y
Q
N
F
F
R
L
Y
E
K
R
A
G
M
T
G
T
A
K
T
E
E
K
E
F
Q
E
I
Y
G
M
D
V
V
V
V
P
T
N
R
P
V
I
R
K
D
F
P
D
V
V
Y
R
T
E
K
G
K
F
Y
A
V
V
E
E
I
A
E
K
Y
E
R
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
R
L
S
Q
M
L
K
E
PRLY
L
P
R
L
E
M
R
L
E
L
F
K
K
A
S
QKQQG
P
E
W
E
R
L
R
KLLERPAQLKDEDLAPFEGLIPPKG
N
L
R
T
A
W
E
G
L
K
R
A
V
H
T
L
A
V
L
R
----------------------------------------------------------------------------
Q
G
I
P
H
Q
V
L
N
A
K
H
H
A
R
E
A
E
I
V
A
Q
A
G
R
S
K
T
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
G
N
P
E
Y
L
A
A
A
L
L
E
K
E
G
F
D
R
YEWK
V
E
L
F
I
K
K
M
V
A
G
----------------------
K
-----
E
E
E
A
R
A
L
A
Q
E
L
G
I
R
E
E
L
L
E
R
I
R
E
I
R
E
E
C
K
Q
D
E
E
R
V
R
A
L
G
G
L
F
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
G
S
R
F
Y
V
S
F
D
D
D
L
M
R
L
F
A
S
D
R
V
I
A
M
L
D
R
M
G
F
D
D
S
E
P
I
E
H
P
M
V
T
R
S
I
E
R
A
Q
K
R
V
E
D
R
N
F
A
I
R
K
Q
L
L
Q
F
D
D
V
L
S
R
Q
R
E
V
I
Y
A
Q
R
R
L
I
L
L
G
K
D
E
E
V
--
K
E
A
A
I
G
M
V
E
E
T
V
A
S
L
A
E
N
-
F
L
N
P
E
V
-
H
P
E
D
W
D
L
E
G
L
K
A
T
L
L
D
T
A
P
---------
Q
L
Q
D
F
P
F
A
E
L
R
A
L
K
A
E
E
A
V
E
R
L
V
E
A
A
L
K
A
Y
E
A
R
E
A
E
L
S
----
P
P
L
M
R
A
V
E
R
F
V
I
L
N
V
V
D
N
A
W
K
E
H
L
H
N
L
D
V
L
R
Q
G
I
F
L
R
G
Y
G
Q
K
D
P
F
Q
E
Y
K
I
E
A
T
R
L
F
N
E
M
V
A
F
I
K
S
E
V
A
K
F
L
F
R
L
K
V
E
-----------------------------------------------------------------------------------------------------------------
27
HHSearch
81.88
53%
-59
- C2 -
2IPC
-
SECA_THET8
A:
[12-939]
--------------
N
E
R
E
I
A
R
Y
Y
K
Q
V
V
E
P
V
N
R
L
E
A
E
V
E
K
L
P
D
--
L
A
A
A
Y
R
E
L
K
E
K
H
E
K
G
---
A
S
L
D
E
L
L
P
M
A
F
A
L
T
R
E
S
A
K
R
Y
L
G
M
R
H
F
D
V
Q
L
I
G
G
A
V
L
H
E
G
K
I
A
E
M
K
T
G
E
G
K
T
L
V
A
T
L
A
V
A
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
R
R
D
A
E
W
M
G
P
V
Y
R
G
L
G
L
S
V
G
V
I
Q
H
-----------------------
A
S
T
--------------------------------------------------
P
A
---------------------------
E
R
R
K
A
Y
L
A
D
V
T
Y
V
T
N
S
E
L
G
F
D
Y
L
R
D
N
M
A
I
S
P
D
Q
L
V
L
R
HDH
P
L
---
H
Y
A
I
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
K
A
T
D
L
Y
Y
K
M
A
E
I
A
K
K
L
-----------
E
R
G
L
P
A
EPGVRKEP
T
G
D
Y
T
V
E
E
K
N
R
S
V
H
L
T
L
Q
G
I
A
K
A
E
K
L
L
---
G
I
----
E
G
L
F
S
P
E
N
M
E
L
A
H
M
L
I
Q
A
I
R
A
K
E
L
Y
H
R
D
R
D
Y
I
V
Q
D
G
Q
V
I
I
V
D
E
F
T
G
R
L
M
P
G
R
R
Y
G
E
G
L
H
Q
A
I
E
A
K
E
G
V
R
I
E
R
E
N
Q
T
L
A
T
I
T
Y
Q
N
F
F
R
L
Y
E
K
R
A
G
M
T
G
T
A
K
T
E
E
K
E
F
Q
E
I
Y
G
M
D
V
V
V
V
P
T
N
R
P
V
I
R
K
D
F
P
D
V
V
Y
R
T
E
K
G
K
F
Y
A
V
V
E
E
I
A
E
K
Y
E
R
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
R
L
S
Q
M
L
K
----------------------------------------------------------------------------
E
PRLY
L
P
R
L
E
M
R
L
E
L
F
K
K
A
S
QKQQG
P
E
W
E
R
L
R
KLLERPAQLKDEDLAPFEGLIPPKG
N
L
R
T
A
W
E
G
L
K
R
A
V
H
T
L
A
V
L
R
Q
G
I
P
H
Q
V
L
N
A
K
H
H
A
R
E
A
E
I
V
A
Q
A
G
R
S
K
T
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
G
N
P
E
Y
L
A
A
A
L
L
E
K
E
G
F
D
R
------------
Y
E
W
K
V
E
L
F
I
K
K
M
V
A
GK
E
E
E
A
R
A
L
A
Q
E
-----
L
G
I
R
E
E
L
L
E
R
I
R
E
----------
I
R
E
E
C
K
Q
D
E
E
R
V
R
A
L
G
G
L
F
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
G
S
R
F
Y
V
S
F
D
D
D
L
M
R
L
F
A
S
D
R
V
I
A
M
L
D
R
M
G
F
D
D
S
E
P
I
E
H
P
M
V
T
R
S
I
E
R
A
Q
K
R
V
E
D
R
N
F
A
I
R
K
Q
L
L
Q
F
D
D
V
L
S
R
Q
R
E
V
I
Y
A
Q
R
R
L
I
L
L
G
--
K
D
E
E
V
K
E
A
A
I
G
M
V
E
E
T
V
A
S
L
A
E
N
-
F
L
N
P
E
V
-
H
P
E
D
W
D
L
E
G
L
K
A
T
L
L
D
T
A
P
Q
L
Q
-
D
F
P
-
F
-
A
-----
E
L
R
A
-
L
K
A
E
E
A
V
E
R
L
V
E
A
A
L
K
A
Y
E
A
R
E
A
E
L
S
-
P
P
---
L
M
R
A
V
E
R
F
V
I
L
N
V
V
D
N
A
W
K
E
H
L
H
N
L
D
V
L
R
Q
G
I
F
L
R
G
Y
G
Q
K
D
P
F
Q
E
Y
K
I
E
A
T
R
L
F
N
E
M
V
A
F
I
K
S
E
V
A
K
F
L
F
R
L
K
V
E
-----------------------------------------------------------------------------------------------------------------
32
HHSearch
79.70
49%
-69
- C2 -
4YS0
2
SECA_THEMA
A:
[2-819]
-------
I
L
F
D
--
K
N
K
R
I
L
K
K
-
Y
A
K
M
V
S
K
I
N
Q
I
E
S
D
L
R
S
K
K
N
S
E
L
I
R
L
S
M
V
L
K
E
K
V
N
S
F
---
E
D
A
D
E
H
L
F
E
A
F
A
L
V
R
E
A
A
R
R
T
L
G
M
R
P
F
D
V
Q
V
M
G
G
I
A
L
H
E
G
K
V
A
E
M
K
T
G
E
G
K
T
L
A
A
T
M
P
I
Y
L
N
A
L
I
G
K
G
V
H
L
V
T
V
N
D
Y
L
A
R
R
D
A
L
W
M
G
P
V
Y
L
F
L
G
L
R
V
G
V
I
N
S
-----------------------
L
G
K
S
Y
E
V
V
W
KN
P
D
L
A
R
K
A
I
E
E
NWSVWPDGFNGEVLKEESMN
K
E
A
V
E
A
F
Q
V
E
L
K
E
I
---------------------------
T
R
K
E
A
Y
L
C
D
V
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
L
V
L
D
Y
N
D
K
V
Q
R
---
G
H
---
F
Y
A
I
V
D
E
A
D
S
V
L
I
D
E
A
R
T
P
L
I
I
S
G
P
S
K
E
S
P
S
V
Y
R
R
F
A
Q
I
A
K
K
F
-----------
V
K
------------
D
K
D
F
T
V
D
E
K
A
R
T
I
I
L
T
E
E
G
V
A
K
A
E
K
I
I
---
G
V
----
E
N
L
Y
D
P
G
N
V
S
L
L
Y
H
L
I
N
A
L
K
A
L
H
L
F
K
K
D
V
D
Y
V
V
M
N
G
E
V
I
I
V
D
E
F
T
G
R
L
L
P
G
R
R
Y
S
G
G
L
H
Q
A
I
E
A
K
E
G
V
P
I
K
E
E
S
I
T
Y
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
S
E
F
V
Q
V
Y
G
M
E
V
V
V
I
P
T
H
K
P
M
I
R
K
D
H
D
D
L
V
F
R
T
Q
K
E
K
Y
E
K
I
V
E
E
I
E
K
R
Y
K
K
G
Q
P
V
L
V
G
T
T
S
I
E
K
S
E
L
L
S
S
M
L
K
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
Y
H
E
K
E
A
E
I
V
A
K
A
G
Q
K
G
M
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
P
---------------------------------------------------------------------------------------------
G
V
A
E
L
G
G
L
C
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
E
S
I
F
F
L
S
L
E
D
D
L
L
R
I
F
G
S
E
Q
I
G
K
V
M
N
I
L
K
I
E
E
G
Q
P
I
Q
H
P
M
L
S
K
L
I
E
N
I
Q
K
K
V
E
G
I
N
F
S
I
R
K
T
L
M
E
M
D
D
V
L
D
K
Q
R
R
A
V
Y
S
L
R
D
Q
I
L
L
E
--
K
D
Y
--
D
E
Y
L
K
D
I
F
E
D
V
V
S
T
R
V
E
E
-
F
C
-----
S
G
K
N
W
D
I
E
S
L
K
N
S
L
S
F
-
F
P
A
G
L
F
D
L
D
---------
E
K
Q
F
-
S
S
S
E
E
L
H
D
Y
L
F
N
R
L
W
E
E
Y
Q
R
K
K
Q
E
I
G
-
E
----
D
Y
R
K
V
I
R
F
L
M
L
R
I
I
D
D
H
W
R
R
Y
L
E
E
V
E
H
V
K
E
A
V
Q
L
R
S
----
D
P
I
V
E
F
K
K
E
T
Y
Y
M
F
D
E
M
M
R
R
I
N
D
T
I
A
N
Y
V
L
R
V
L
E
H
-----------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
78.55
43%
-73
- C2 -
4YS0
2
SECA_THEMA
A:
[9-816]
----------------
R
I
L
K
K
-
Y
A
K
M
V
S
K
I
N
Q
I
E
S
D
L
R
S
K
K
N
S
E
L
I
R
L
S
M
V
L
K
E
K
V
---
N
S
F
E
D
A
D
E
H
L
F
E
A
F
A
L
V
R
E
A
A
R
R
T
L
G
M
R
P
F
D
V
Q
V
M
G
G
I
A
L
H
E
G
K
V
A
E
M
K
T
G
E
G
K
T
L
A
A
T
M
P
I
Y
L
N
A
L
I
G
K
G
V
H
L
V
T
V
N
D
Y
L
A
R
R
D
A
L
W
M
G
P
V
Y
L
F
L
G
L
R
V
G
V
I
N
S
LG
K
S
Y
E
V
V
W
KN
P
D
L
A
R
K
A
I
E
E
NW
S
V
W
--------------------------------------------------
P
D
GFNGEVLKEESMN
K
E
A
V
E
A
F
Q
V
E
L
K
E
I
T
R
K
E
A
Y
L
C
D
V
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
L
V
L
D
Y
N
D
K
V
Q
R
---
G
H
---
F
Y
A
I
V
D
E
A
D
S
V
L
I
D
E
A
R
T
P
L
I
I
S
G
P
S
K
E
S
P
S
V
Y
R
R
F
A
Q
I
A
K
K
F
-----------
V
K
------------
D
K
D
F
T
V
D
E
K
A
R
T
I
I
L
T
E
E
G
V
A
K
A
E
K
I
I
---
G
V
----
E
N
L
Y
D
P
G
N
V
S
L
L
Y
H
L
I
N
A
L
K
A
L
H
L
F
K
K
D
V
D
Y
V
V
M
N
G
E
V
I
I
V
D
E
F
T
G
R
L
L
P
G
R
R
Y
S
G
G
L
H
Q
A
I
E
A
K
E
G
V
P
I
K
E
E
S
I
T
Y
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
S
E
F
V
Q
V
Y
G
M
E
V
V
V
I
P
T
H
K
P
M
I
R
K
D
H
D
D
L
V
F
R
T
Q
K
E
K
Y
E
K
I
V
E
E
I
E
K
R
Y
K
K
G
Q
P
V
L
V
G
T
T
S
I
E
K
S
E
L
L
S
S
M
L
K
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
Y
H
E
K
E
A
E
I
V
A
K
A
G
Q
K
G
M
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
P
G
---------------------------------------------------------------------------------------------
V
A
E
L
G
G
L
C
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
E
S
I
F
F
L
S
L
E
D
D
L
L
R
I
F
G
S
E
Q
I
G
K
V
M
N
I
L
K
I
E
E
G
Q
P
I
Q
H
P
M
L
S
K
L
I
E
N
I
Q
K
K
V
E
G
I
N
F
S
I
R
K
T
L
M
E
M
D
D
V
L
D
K
Q
R
R
A
V
Y
S
L
R
D
Q
I
L
L
E
--
K
D
Y
--
D
E
Y
L
K
D
I
F
E
D
V
V
S
T
R
V
E
E
-
F
C
S
-----
G
K
N
W
D
I
E
S
L
K
N
S
L
-
S
F
F
P
A
G
L
-----
F
D
L
D
E
K
Q
F
S
-----
S
S
E
E
L
H
D
Y
L
F
N
R
L
W
E
E
Y
Q
R
K
K
Q
E
I
G
E
-----
D
Y
R
K
V
I
R
F
L
M
L
R
I
I
D
D
H
W
R
R
Y
L
E
E
V
E
H
V
K
E
A
V
Q
L
R
S
----
D
P
I
V
E
F
K
K
E
T
Y
Y
M
F
D
E
M
M
R
R
I
N
D
T
I
A
N
Y
V
L
R
V
--------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
78.29
43%
-73
- C2 -
3JUX
2
SECA_THEMA
A:
[9-816]
----------------
R
I
L
K
K
-
Y
A
K
M
V
S
K
I
N
Q
I
E
S
D
L
R
S
K
K
N
S
E
L
I
R
L
S
M
V
L
K
E
K
V
---
N
S
F
E
D
A
D
E
H
L
F
E
A
F
A
L
V
R
E
A
A
R
R
T
L
G
M
R
P
F
D
V
Q
V
M
G
G
I
A
L
H
E
G
K
V
A
E
M
K
T
G
E
G
K
T
L
A
A
T
M
P
I
Y
L
N
A
L
I
G
K
G
V
H
L
V
T
V
N
D
Y
L
A
R
R
D
A
L
W
M
G
P
V
Y
L
F
L
G
L
R
V
G
V
I
N
S
LG
K
S
Y
E
V
V
WKN
P
D
L
A
R
K
A
I
E
E
NW
S
V
W
--------------------------------------------------
P
D
GFNGEVLKEESMN
K
E
A
V
E
A
F
Q
V
E
L
K
E
I
T
R
K
E
A
Y
L
C
D
V
T
Y
G
T
N
N
E
F
G
F
D
Y
L
R
D
N
L
V
L
D
Y
N
D
K
V
Q
R
---
G
H
---
F
Y
A
I
V
D
E
A
D
S
V
L
I
D
E
A
R
T
P
L
I
I
S
G
P
S
K
E
S
P
S
V
Y
R
R
F
A
Q
I
A
K
K
F
-----------
V
K
------------
D
K
D
F
T
V
D
E
K
A
R
T
I
I
L
T
E
E
G
V
A
K
A
E
K
I
I
---
G
V
----
E
N
L
Y
D
P
G
N
V
S
L
L
Y
H
L
I
N
A
L
K
A
L
H
L
F
K
K
D
V
D
Y
V
V
M
N
G
E
V
I
I
V
D
E
F
T
G
R
L
L
P
G
R
R
Y
S
G
G
L
H
Q
A
I
E
A
K
E
G
V
P
I
K
E
E
S
I
T
Y
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
S
E
F
V
Q
V
Y
G
M
E
V
V
V
I
P
T
H
K
P
M
I
R
K
D
H
D
D
L
V
F
R
T
Q
K
E
K
Y
E
K
I
V
E
E
I
E
K
R
Y
K
K
G
Q
P
V
L
V
G
T
T
S
I
E
K
S
E
L
L
S
S
M
L
K
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
Y
H
E
K
E
A
E
I
V
A
K
A
G
Q
K
G
M
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
P
G
---------------------------------------------------------------------------------------------
V
A
E
L
G
G
L
C
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
A
G
R
Q
G
D
P
G
E
S
I
F
F
L
S
L
E
D
D
L
L
R
I
F
G
S
E
Q
I
G
K
V
M
N
I
L
K
I
E
E
G
Q
P
I
Q
H
P
M
L
S
K
L
I
E
N
I
Q
K
K
V
E
G
I
N
F
S
I
R
K
T
L
M
E
M
D
D
V
L
D
K
Q
R
R
A
V
Y
S
L
R
D
Q
I
L
L
E
--
K
D
Y
--
D
E
Y
L
K
D
I
F
E
D
V
V
S
T
R
V
E
E
-
F
C
S
-----
G
K
N
W
D
I
E
S
L
K
N
S
L
-
S
F
F
P
A
G
L
-----
F
D
L
D
E
K
Q
F
S
-----
S
S
E
E
L
H
D
Y
L
F
N
R
L
W
E
E
Y
Q
R
K
K
Q
E
I
G
E
-----
D
Y
R
K
V
I
R
F
L
M
L
R
I
I
D
D
H
W
R
R
Y
L
E
E
V
E
H
V
K
E
A
V
Q
L
R
S
Y
G
Q
K
D
P
I
V
E
F
K
K
E
T
Y
Y
M
F
D
E
M
M
R
R
I
N
D
T
I
A
N
Y
V
L
R
V
--------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
78.07
48%
-64
- C2 -
2VDA
-
SECA_ECOLI
A:
[16-831]
----------------
R
T
L
R
R
-
M
R
K
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
---
E
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
N
L
P
-----------------------
G
M
P
--------------------------------------------------
A
P
---------------------------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
L
---
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
D
S
S
E
M
Y
K
R
V
N
K
I
I
P
H
L
IRQEKEDSETF
Q
G
------------
E
G
H
F
S
V
D
E
K
S
R
Q
V
N
L
T
E
R
G
L
V
L
I
E
E
L
L
VKE
G
I
MDEG
E
S
L
Y
S
P
A
N
I
M
L
M
H
H
V
T
A
A
L
R
A
H
A
L
F
T
R
D
V
D
Y
I
V
K
D
G
E
V
I
I
V
D
E
H
T
G
R
T
M
Q
G
R
R
W
S
D
G
L
H
Q
A
V
E
A
K
E
G
V
Q
I
Q
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
I
V
A
Q
A
G
Y
P
A
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
S
W
---------
Q
A
E
V
A
A
------------
L
E
N
----------------------
P
T
A
E
Q
I
E
K
I
K
A
D
W
Q
---------------
V
R
H
D
A
------
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
A
G
S
S
R
F
Y
L
S
M
E
D
A
L
M
R
I
F
A
S
D
R
V
S
G
M
M
R
K
L
G
M
K
P
G
E
A
I
E
H
P
W
V
T
K
A
I
A
N
A
Q
R
K
V
E
S
R
N
F
D
I
R
K
Q
L
L
E
Y
D
D
V
A
N
D
Q
R
R
A
I
Y
S
Q
R
N
E
L
L
D
V
--
S
D
V
--
S
E
T
I
N
S
I
R
E
D
V
F
K
A
T
I
D
A
Y
I
P
P
-
Q
S
-
L
E
E
M
W
D
I
P
G
L
Q
E
R
L
K
N
D
F
D
L
D
L
-
P
I
A
E
W
L
D
K
E
P
E
------
L
H
E
E
T
L
R
E
R
I
L
A
Q
S
I
E
V
Y
Q
R
K
----
E
E
V
V
G
A
E
M
M
R
H
F
E
K
G
V
M
L
Q
T
L
D
S
L
W
K
E
H
L
A
A
M
D
Y
L
R
Q
G
I
H
L
R
G
Y
A
Q
K
D
P
K
Q
E
Y
K
R
E
S
F
S
M
F
A
A
M
L
E
S
L
K
Y
E
V
I
S
T
L
S
K
V
Q
V
------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
76.71
48%
-69
- C2 -
1TF5
-
SECA_BACSU
A:
[14-780]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
E
-
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
------------------------------------------------------------------------------------------------------------------
52
Fugue
76.65
50%
-61
- C2 -
1M6N
7
SECA_BACSU
A:
[1-802]
---
M
L
G
I
L
N
K
M
F
D
P
T
K
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
E
K
G
---
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
---------------------------------------------------------------------------------------------
V
K
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
-
R
E
E
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
L
D
E
G
-
A
L
E
K
S
D
I
-------
F
G
-
K
E
P
D
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
--------------------------------------------------------------
E
N
N
L
E
R
E
E
V
V
Q
G
Q
T
T
A
H
Q
P
Q
E
G
------------------------------
23
PsiBlast_CBE
76.64
48%
-66
- C2 -
3JV2
3
SECA_BACSU
B:
[17-782]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
-----
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
-------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
76.61
48%
-67
- C2 -
1TF2
2
SECA_BACSU
A:
[17-783]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
----
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
76.19
48%
-63
- C2 -
1M74
7
SECA_BACSU
A:
[14-781]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
E
-
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
-----------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
75.99
48%
-65
- C2 -
1M6N
7
SECA_BACSU
A:
[14-781]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
E
-
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
-----------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
75.91
48%
-66
- C2 -
3JV2
3
SECA_BACSU
A:
[18-782]
-----------------
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
--------
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
-------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
75.89
48%
-64
- C2 -
3IQY
4
SECA_BACSU
A:
[14-781]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
Q
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
K
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
E
-
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
-----------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
75.28
48%
-64
- C2 -
3IQM
10
SECA_BACSU
A:
[14-781]
----------------
R
T
L
N
R
-
Y
E
K
I
A
N
D
I
D
A
I
R
G
D
Y
E
N
L
S
D
D
A
L
K
H
K
T
I
E
F
K
E
R
L
---
E
K
G
A
T
T
D
D
L
L
V
E
A
F
A
V
V
R
E
A
S
R
R
V
T
G
M
F
P
F
K
V
Q
L
M
G
G
V
A
L
H
D
G
N
I
A
E
M
K
T
G
E
G
K
T
L
T
S
T
L
P
V
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
E
Y
L
A
S
R
D
A
E
Q
M
G
K
I
F
E
F
L
G
L
T
V
G
L
N
L
N
-----------------------
S
M
S
--------------------------------------------------
K
D
---------------------------
E
K
R
E
A
Y
A
A
D
I
T
Y
S
T
N
N
E
L
G
F
D
Y
L
R
D
N
M
V
L
Y
K
E
Q
M
V
Q
R
---
P
L
---
H
F
A
V
I
D
Q
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
Q
A
A
K
S
T
K
L
Y
V
Q
A
N
A
F
V
R
T
L
-----------
K
A
------------
E
K
D
Y
T
Y
D
I
K
T
K
A
V
Q
L
T
E
E
G
M
T
K
A
E
K
A
F
---
G
I
----
D
N
L
F
D
V
K
H
V
A
L
N
H
H
I
N
Q
A
L
K
A
H
V
A
M
Q
K
D
V
D
Y
V
V
E
D
G
Q
V
V
I
V
D
S
F
T
G
R
L
M
K
G
R
R
Y
S
E
G
L
H
Q
A
I
E
A
K
E
G
L
E
I
Q
N
E
S
M
T
L
A
T
I
T
F
Q
N
Y
F
R
M
Y
E
K
L
A
G
M
T
G
T
A
K
T
E
E
E
E
F
R
N
I
Y
N
M
Q
V
V
T
I
P
T
N
R
P
V
V
R
D
D
R
P
D
L
I
Y
R
T
M
E
G
K
F
K
A
V
A
E
D
V
A
Q
R
Y
M
T
G
Q
P
V
L
V
G
T
V
A
V
E
T
S
E
L
I
S
K
L
L
K
----------------------------------------------------------------------------
N
----------------------------------------------------------------------------
K
G
I
P
H
Q
V
L
N
A
K
N
H
E
R
E
A
Q
I
I
E
E
A
G
Q
K
G
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
K
L
G
E
G
V
K
---------------------------------------------------------------------------------------------
E
L
G
G
L
A
V
V
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
P
G
I
T
Q
F
Y
L
S
M
E
D
E
L
M
R
R
F
G
A
E
R
T
M
A
M
L
D
R
F
G
M
D
D
S
T
P
I
Q
S
K
M
V
S
R
A
V
E
S
S
Q
K
R
V
E
G
N
N
F
D
S
R
K
Q
L
L
Q
Y
D
D
V
L
R
Q
Q
R
E
V
I
Y
K
Q
R
F
E
V
I
D
S
--
E
N
L
--
R
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
-
Y
T
P
R
E
E
-
L
P
E
E
W
K
L
D
G
L
V
D
L
I
N
T
T
Y
---
L
-
D
E
G
A
L
E
K
S
D
I
F
G
K
E
P
D
-----
E
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
K
E
E
Q
F
----
G
K
E
Q
M
R
E
F
E
K
V
I
V
L
R
A
V
D
S
K
W
M
D
H
I
D
A
M
D
Q
L
R
Q
G
I
H
L
R
A
Y
A
Q
T
N
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
A
K
F
V
M
K
A
E
I
E
-----------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
74.98
48%
-74
- C2 -
2FSI
1
SECA_ECOLI
B:
[8-823]
----------------
R
T
L
R
R
-
M
R
K
V
V
N
I
I
N
A
M
E
P
E
M
E
K
L
S
D
E
E
L
K
G
K
T
A
E
F
R
A
R
L
---
E
K
G
E
V
L
E
N
L
I
P
E
A
F
A
V
V
R
E
A
S
K
R
V
F
G
M
R
H
F
D
V
Q
L
L
G
G
M
V
L
N
E
R
C
I
A
E
M
R
T
G
E
G
K
T
L
T
A
T
L
P
A
Y
L
N
A
L
T
G
K
G
V
H
V
V
T
V
N
D
Y
L
A
Q
R
D
A
E
N
N
R
P
L
F
E
F
L
G
L
T
V
G
I
N
L
P
-----------------------
G
M
P
--------------------------------------------------
A
P
---------------------------
A
K
R
E
A
Y
A
A
D
I
T
Y
G
T
N
N
E
Y
G
F
D
Y
L
R
D
N
M
A
F
S
P
E
E
R
V
Q
R
---
K
L
---
H
Y
A
L
V
D
E
V
D
S
I
L
I
D
E
A
R
T
P
L
I
I
S
G
P
A
E
D
S
S
E
M
Y
K
R
V
N
K
I
I
P
H
L
IRQ------------------------------------------
V
L
I
E
E
L
L
VKE
G
I
MDEG
E
S
L
Y
S
P
A
N
I
M
L
M
H
H
V
T
A
A
L
R
A
H
A
------------------------------------------------
N
E
N
Q
T
L
A
S
I
T
F
Q
N
Y
F
R
L
Y
E
K
L
A
G
M
T
G
T
A
D
T
E
A
F
E
F
S
S
I
Y
K
L
D
T
V
V
V
P
T
N
R
P
M
I
R
K
D
L
P
D
L
V
Y
M
T
E
A
E
K
I
Q
A
I
I
E
D
I
K
E
R
T
A
K
G
Q
P
V
L
V
G
T
I
S
I
E
K
S
E
L
V
S
N
E
L
T
----------------------------------------------------------------------------
K
----------------------------------------------------------------------------
A
G
I
K
H
N
V
L
N
A
K
F
H
A
N
E
A
A
I
V
A
Q
A
G
Y
P
A
A
V
T
I
A
T
N
M
A
G
R
G
T
D
I
V
L
G
G
S
W
---------
Q
A
E
V
A
A
------------
L
E
N
----------------------
P
T
A
E
Q
I
E
K
I
K
A
D
W
Q
---------------
V
R
H
D
A
------
V
L
E
A
G
G
L
H
I
I
G
T
E
R
H
E
S
R
R
I
D
N
Q
L
R
G
R
S
G
R
Q
G
D
A
G
S
S
R
F
Y
L
S
M
E
D
A
L
M
R
I
F
A
S
D
R
V
S
G
M
M
R
K
L
G
M
K
P
G
E
A
I
E
H
P
W
V
T
K
A
I
A
N
A
Q
R
K
V
E
S
R
N
F
D
I
R
K
Q
L
L
E
Y
D
D
V
A
N
D
Q
R
R
A
I
Y
S
Q
R
N
E
L
L
D
V
--
S
D
V
--
S
E
T
I
N
S
I
R
E
D
V
F
K
A
T
I
D
A
Y
I
P
P
-
Q
S
-
L
E
E
M
W
D
I
P
G
L
Q
E
R
L
K
N
D
F
D
L
D
L
-
P
I
A
E
W
L
D
K
E
P
E
------
L
H
E
E
T
L
R
E
R
I
L
A
Q
S
I
E
V
Y
Q
R
K
----
E
E
V
V
G
A
E
M
M
R
H
F
E
K
G
V
M
L
Q
T
L
D
S
L
W
K
E
H
L
A
A
M
D
Y
L
R
Q
G
I
H
L
R
G
Y
A
Q
K
D
P
K
Q
E
Y
K
R
E
S
F
S
M
F
A
A
M
L
E
S
L
K
Y
E
V
I
S
T
L
S
K
V
Q
V
------------------------------------------------------------------------------------------------------------------