@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 : Wbm0266: (2015-11-29 )
MSFFFKRTFGSINKKIIKSFRKIVEQINALETKMQSLSDEELADKTEEFKRELKNGKTLNDLLVPAFAVVREASRRFLNMRHFDVQLIGGMVLHNGMVSEMKTGEGKTLVATLAAYLNSLEGKGVHVVTVNDYLAKRDTEWMSKLYNSLGVSVAFITNDLTDEERKEAYSADIVYSTNNELAFDYLRDNMKFSREDMVQRGFNYAIVDEVDSILIDEARTPLIISGPVEENNQIYKHIDKIVTKLVDSDYEVDEKGRAVFLTEDGISQVEELLRSYNLISEKSSLYDAGNMIMTHYIDQALRAHKLFTADKDYIVKDGKVVIIDEFTGRMMEGRRYSDGLHQALEAKENLEIQYENQTLASVTFQNYFRMYNKLSGMTGTAATEAEELRDIYRLNVVKIPTNVTVKRIDVDDEIYGTEKEKFNAVLKFIKECHKRLQPVLVGTVSIENSEKLSALLRNHFLRHSVLNARYHEQEAYIIAQAGVPGNITIATNMAGRGTDIQLGGNAEMIAKVELKKIKNADEREKKYQEIIERVKRDKEIAMKAGGLCVIGTERHESRRIDDQLRGRSGRQGDPGLSKFFLSLEDDLMRIFGSDRMRSFLKRVGLKNNEAIHHPWINKALEKAQKKVEARNYDVRKSLLKFDDVINNQRKVIFEQRNHILGNEINDLFEVYSEVNKSVMESIVQGGYYEDYVEDIAKEFHIRYGITLDKKDLAKFLNKQEALDYINGKVKEFFTEKEKYFNGQQTTDLWNTIVKQVMIMTLDHLWREHLSILESLRQSIGLRAMGQKDPLNEFKREAFLIFECMLERGKELTIHRLAHFKLVDNQEVGGRLHPTRKDNLPKVSRNDKCPCNSGKKYKHCHGAVTVMN
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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
S
F
F
F
K
R
T
F
G
S
I
N
K
K
I
I
K
-
S
F
R
K
I
V
E
Q
I
N
A
L
E
T
K
M
Q
SL
S
D
E
E
L
A
D
K
T
E
E
F
K
R
E
L---K---NGK
T
L
N
D
L
L
V
P
A
F
A
V
V
R
E
A
S
R
R
F
L
NM
R
H
F
D
V
Q
LI
G
G
M
V
LHN
G
M
V
S
EMKTGEG
K
T
L
V
A
T
L
A
A
Y
L
N
SLEGK
G
V
H
V
V
TV
N
D
Y
L
A
KR
D
T
E
W
M
S
K
L
Y
N
SLG
V
S
V
A
F
ITN--------------------------------------------------DLT
D
E
E
R
K
EAYS
A
D
I
V
Y
STNN
E
L
A
F
D
Y
L
R
DNMKF
S
R
E
D
M
V
Q
R---G---F
N
Y
A
I
V
D
E
V
D
S
I
L
IDEART
P
L
I
I
SGPVEEN
N
Q
I
Y
K
H
I
D
K
I
V
T
K
L
-V-------------DSD-------YEVDEKG
R
A
V
F
L
TED
G
I
S
Q
V
E
E
L
L
R
SYNLISEKSSLYD
A
G
N
M
I
M
T
H
Y
I
D
Q
A
L
R
A
HKLFTADK
D
Y
I
VKDG
K
V
V
I
I
DEFTG
R
M
MEGRRY
S
D
G
L
H
Q
A
L
EAKE
N
L
E
I
Q
YENQ
T
L
A
S
V
T
F
Q
N
Y
F
R
M
Y
N
K
LSGMTGTAAT
E
A
E
E
L
R
D
I
Y
R
L
N
V
V
KIPTN
V
T
V
K
R
IDVDDEIYGT
E
K
E
K
F
N
A
V
L
K
F
I
K
E
C
H
K
RLQ
P
V
L
V
G
T
V
SIE
N
S
E
K
L
S
A
L
L
R
------------------------------------------------------------------------
N
----------------------------------------------------------------------------
H
F
L
R
----
H
S
V
L
N
A
R
Y
HE
Q
E
A
Y
I
I
A
QAGVPG
N
I
T
I
A
TNMAGRG
T
D
I
Q
LG-GNA
E
M
I
A
K
---------------------------
V
E
L
-----
K
K
-----IK-------------------------------N
A
----
D
E
R
E
K
K
Y
Q
E
I
I
E
R
V
KR
D
-----
K
E
I
----
A
MKAG
G
L
C
V
IGTERHESR
R
I
D
D
Q
LRGRSGRQGDP
G
L
S
K
F
F
L
S
L
E
D
D
L
M
R
I
FG
S
D
R
M
R
S
F
L
K
RVGLKNNEAIH
H
P
W
I
N
K
A
L
E
K
A
Q
K
K
V
EAR
N
Y
D
V
R
K
S
L
L
K
F
D
D
V
INN
Q
R
K
V
I
F
E
QRNHIL---G
N
E
--
I
N
D
--
L
F
E
----
V
Y
S
----
E
----
V
----
N
----
K
S
V
M
E
S
I
V
Q--G---------G
Y
Y
-
E
D
--
Y
V
E
D
-------
I
----
A
K
E
F
H
I
R
Y--G
I
T
L
D
---
K
--
K
D
L
-
A
---
K
F
L
--
N
K
Q
--
E
A
L
------
D
Y
IN
G
K
V
K
E
F
F
T
E
K
E
K
YFNGQ
Q
T
T
D
L
W
N
T
I
V
K
Q
V
M
I
M
T
L
D
H
L
W
R
E
H
L
S
I
L
E
S
L
R
Q
S
IGLRAMGQKD
P
L
N
E
F
K
R
E
A
F
L
I
F
E
C
M
--------------------
L
ERGK
E
L
T
I
H
R
L
A
H
F
K
L
VDNQEVGGRLHPTRKDNLPKVSRNDKCPCNSGKK
Y
K
H
CH
G
A
V
T
VMN
48
Fugue
91.19
49%
-68
- C2 -
2IPC
-
SECA_THET8
A:
[1-939]
M
L
G
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
DHP
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
EGFDRYEWK
V
E
L
F
I
K
K
M
V
A
GK
E
E
E
A
-----
R
A
-----
L
A
-------------------------------
Q
E
L
GIR
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
GK
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
AL
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
---------------------------------------------
8
PsiBlast_PDB
90.75
47%
-76
- C2 -
1NL3
-
SECA1_MYCTU
A:
[12-827]
--------------
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
DQ
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
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F
T
G
R
V
L
I
G
R
R
Y
N
E
G
M
H
Q
A
I
E
A
K
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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
GLDP
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
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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
WD
L
D
A
L
W
T
----
A
L
K
T
L
Y
P
V
--
G
I
T
A
D
SLT-----------------
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
90.28
46%
-74
- C2 -
1NKT
2
SECA1_MYCTU
A:
[30-865]
--
D
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
DQK
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
GL
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
90.13
50%
-82
- C2 -
2FSI
1
SECA_ECOLI
B:
[3-828]
---------
G
S
R
N
D
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
-
I
RQ--------------------------------------
V
L
I
E
E
L
L
V
K
E
G
I
M
D
E
G
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
WDIP
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
R
M
P
E
E
-----------------------------------------
26
HHSearch
89.98
49%
-64
* C2 *
2IPC
-
SECA_THET8
A:
[1-939]
M
L
G
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
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
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V
Q
D
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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
FDRYEWK
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
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D
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V
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A
M
L
D
R
M
G
F
D
D
S
E
P
I
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H
P
M
V
T
R
S
I
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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
PE
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
---------------------------------------------
7
PsiBlast_PDB
89.92
47%
-75
- C2 -
1NKT
2
SECA1_MYCTU
A:
[42-857]
--------------
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
DQ
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
GLDP
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
WD
L
D
A
L
W
T
----
A
L
K
T
L
Y
P
V
--
G
I
T
A
D
SLT----------------------
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
----------------------------------------------
22
PsiBlast_CBE
89.80
47%
-78
- C2 -
1NKT
2
SECA1_MYCTU
B:
[42-857]
--------------
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
ADQ
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
RGLDP
V
E
-------------------------------
T
P
----
E
E
Y
E
A
A
W
H
S
E
L
P
I
V
K
E
E
ASKEA
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
WDLDALW
T
----
A
L
K
T
L
Y
P
V
--
G
I
T
A
D
SLT----------------------
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
----------------------------------------------
4
PsiBlast_PDB
89.42
50%
-74
- C2 -
2VDA
-
SECA_ECOLI
A:
[10-831]
--------
F
G
S
R
N
D
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
-
I
RQEKE--------
D
S
E
TFQGEGH
F
S
V
D
E
K
S
R
Q
V
N
L
T
E
R
G
L
V
L
I
E
E
L
L
V
K
E
G
I
M
D
E
G
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
WD
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
HE
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
R
M
P
E
E
-----------------------------------------
2
PsiBlast_PDB
89.13
50%
-80
- C2 -
2FSH
1
SECA_ECOLI
A:
[5-828]
-----------
R
N
D
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
----------------------------------------------------------------------------------------------------------------------------------------------
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
WD
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
R
M
P
E
E
-----------------------------------------
3
PsiBlast_PDB
88.92
50%
-78
- C2 -
2FSI
1
SECA_ECOLI
A:
[5-828]
-----------
R
N
D
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
----------------------------------------------------------------------------------------------------------------------------------------------
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
WD
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
R
M
P
E
E
-----------------------------------------
29
HHSearch
88.31
51%
-77
- C2 -
2FSF
-
SECA_ECOLI
A:
[13-834]
-----------
R
N
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------
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
PQ
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
R
M
P
-------------------------------------------
1
PsiBlast_PDB
88.02
50%
-78
- C2 -
2FSF
-
SECA_ECOLI
A:
[13-834]
-----------
R
N
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------
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
WD
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
R
M
P
-------------------------------------------
5
PsiBlast_PDB
86.89
48%
-79
- C2 -
2FSG
1
SECA_ECOLI
A:
[8-826]
--------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
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
R
M
P
-------------------------------------------
47
Fugue
86.34
47%
-65
- 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
NL
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
EW
K
L
D
G
-------
L
----
V
D
L
I
N
T
T
Y
LD
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
------------------------
6
PsiBlast_PDB
86.22
45%
-66
- C2 -
3IQY
4
SECA_BACSU
A:
[12-802]
------------
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
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
PREELPE
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
--------------------------------------------
27
HHSearch
86.08
47%
-75
- C2 -
1TF5
-
SECA_BACSU
A:
[2-780]
-
L
G
I
L
N
-------
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
RE
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
----------------------------------------------
23
PsiBlast_CBE
85.04
47%
-70
- C2 -
3JV2
3
SECA_BACSU
B:
[17-768]
--------------
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
PRE----
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
-----------------------------------------------
10
PsiBlast_PDB
84.88
47%
-70
- C2 -
3JV2
3
SECA_BACSU
A:
[18-768]
---------------
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
-----------------------------------------------
17
PsiBlast_PDB
84.84
42%
-71
- C2 -
3JUX
2
SECA_THEMA
A:
[7-804]
------------
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
LG
K
S
Y
E
V
V
WKN
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
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
------------------------------------------------
15
PsiBlast_PDB
84.77
42%
-72
- C2 -
4YS0
2
SECA_THEMA
A:
[7-804]
------------
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
LG
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
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K
D
V
D
Y
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V
M
N
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I
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D
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F
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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
---------------------------------------------