@TOME V2.3
(Mar 2018)
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 : B0VRG7: (2017-12-02 )
MLASLIGGIFGTKNERELKRMRKIVEQINALEPTISALSDADLSAKTPEFKQRYNNGESLDKLLPEAFAVCREAAKRVMGMRHYDVQLIGGITLHEGKIAEMRTGEGKTLMGTLACYLNALSGEGVHVITVNDYLAQRDAELNRPLFEFLGLSIGTIYSMQEPAEKAAAYLADITYGTNNEFGFDYLRDNMVFSLAEKKQRGLHYAIIDEVDSILIDEARTPLIISGQSEDSSHLYTAINTIPPKLRPQKEEKVADGGHFWIDEKQRSVEMTEIGYETVEQELIQMGLLAEGESLYSATNLNLVHHVSAAIRAHVLFQRDVHYIIHDGEVVIVDEHTGRTMPGRRWSEGLHQAVEAKEGLAIQPENQTLATTTFQNYFRPYKKLSGMTGTADTEAAEMKEIYGLDVVIIPTHRPMIRNDQNDLIYLNRNGKYNAIIQEIMNIRQQGVAPILIGTATIEASEILSSKLKQAGIHHEVLNAKQHEREADIIAQAGSPNAVTIATNMAGRGTDIILGGNWKAKLAKLENPTPEDEARLKAQWEQDHEDVLQAGGLHIIGSERHESRRIDNQLRGRAGRQGDPGVSRFYLSLEDDLMRIFAGDRVVAMMRAMGLKEDEAIEHKMVSRSIENAQRKVEARNFDIRKNLLKYDDVNNEQRKIIYSQRDEILAENTLQEYVEEMHREVMQAMIANFIPPESIHDQWDVEGLENALRIDLGIELPVQEWLEQDRRLDEEGLVERISDEVIARYRQRRAQMGDESAAMLERHFVLNSLDRHWKDHLAAMDYLRQGIHLRGYAQKNPEQEYKKESFNLFVNMLGVIKTDVVTDLVTDLSRVHIPTPEELAEMEAQQQQQAEAMKLSFEHDDVDGLTGEVTASQEALNESATEQQTFPVPESRNAPCPCGSGLKYKQCHGKI
Atome Classification :
(28 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
L
A
S
L
I
G
G
I
FGTK
N
E
R
E
-
L
K
R
M
R
K
I
V
E
Q
I
N
AL
E
P
T
I
S
A
LSDADLSAK
T
P
E
F
K
Q
RYNN
G
E
S
L
D
K
L
L
P
E
A
F
A
V
C
R
E
A
A
K
R
V
MGMR
H
Y
D
V
Q
L
I
G
G
I
T
LHEG
K
--
I
A
E
MRTGEG
K
T
L
M
G
T
L
A
C
Y
L
N
ALSGE
G
V
H
V
I
TV
N
D
Y
L
A
QRDAELN
R
P
L
F
E
F
LGL
S
I
G
-
T
I
YSMQ--------------------------------------------------
E
P
A
E
--------------------------------------------------
K
A
A
A
Y
L
A
D
I
TYGTNNE
F
G
F
D
Y
L
RD
N
M
V
F
S
---
L
A
E
K
KQR---GL
H
Y
A
I
I
D
E
V
D
S
I
L
IDEART
P
L
I
I
SGQSEDSS
H
L
Y
T
A
I
NTIPPKL-R----P
Q
K
----
E
--EKVADGG
H
F
W
ID
E
K
QRSV
E
M
T
E
I
G
Y
E
T
V
E
Q
E
L
I
QMGLLAEG
E
S
LYSATN
L
N
L
V
H
H
V
S
A
A
I
R
A
H
V
L
F
QRD
V
H
Y
I
I
HDG
E
V
V
I
V
DEHTGRTMPG
R
R
W
S
E
G
L
H
Q
A
V
----------
E
AKEG
L
A
IQPEN
Q
T
L
A
T
T
T
F
Q
N
Y
F
R
P
Y
K
K
LSGMTGTAD
T
E
A
A
E
M
K
E
I
YG
L
D
V
V
I
IPTHRPMIRNDQN
D
L
I
Y
L
NRNGK
Y
N
A
I
I
Q
E
I
M
N
I
R
Q
QGVA
P
I
L
I
G
T
ATI
E
A
S
E
I
L
S
S
K
L
K
----------------------------------------------------------------------------QAGI
H
H
E
V
L
N
A
K
Q
H
E
R
E
A
D
I
I
AQAGSP
N
A
V
T
I
ATNMAGRG
T
D
I
I
LGG------------------NW
K
A
K
L
--AKLENP-------------------------------------TP
E
D
E
A
R
L
K
A
Q
W
------------------EQ
D
H
E
D
V
L
Q
AG
G
L
H
I
IGSER
H
E
S
R
R
I
D
N
Q
L
RGRAGRQGDPGV
S
R
F
Y
L
S
L
E
D
D
L
M
R
I
FAG
D
R
V
V
A
M
M
R
A
MGLK
E
D
E
A
I
E
H
K
M
V
S
R
S
I
E
N
A
Q
R
K
V
EAR
N
F
D
I
R
K
N
L
L
KYDDVN
N
E
Q
R
K
I
I
Y
S
Q
R
D
E
I
L
--
A
E
N
T
--
L
Q
E
Y
V
E
E
M
H
R
E
V
M
Q
A
M
I
A
NFIPPESIHDQW
D
V
E
G
L
E
N
A
L
R
I
DLGIEL
P
V
Q
E
W
-
L
E
Q
DRRL
D
E
E
G
L
V
E
R
I
S
D
E
V
I
A
R
Y
R
Q
R
R
A
QMG
D
E
S
A
A
M
L
E
R
H
F
V
L
N
S
L
D
R
H
W
K
D
H
L
A
A
M
D
Y
L
R
QGIHLR--------------GY----------------------------AQKN
P
E
Q
E
Y
K
K
E
S
F
N
L
F
V
N
M
L
G
V
I
K
T
D
V
V
T
D
L
V
T
D
L
S
RVHIP
T
P
E
E
L
A
E
M
E
A
Q
Q
Q
Q
Q
A
E
A
M
K
L
S
FEHDDVDGLTGEVT
A
S
Q
E
A
L
NESATEQQTFPVPESRNAPCPCGSGLK
Y
K
Q
CHGKI
54
HHSearch
80.01
61%
-73
- C4 -
-
2FSF
-
SECA_ECOLI
B:
[12-829]
-----------
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
-------------------------------------------------------
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
-------------------------------------------------------------
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
------------------------------------------------------------------------------------
7
PsiBlast_PDB
77.26
46%
-68
- C4 -
-
1TF5
-
SECA_BACSU
A:
[7-780]
--------------
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
---------------------------------------------------------------------
6
PsiBlast_PDB
76.93
46%
-69
- C4 -
-
1TF2
1
SECA_BACSU
A:
[10-783]
--------------
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
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
---------------------------------------------------------------------
56
HHSearch
76.77
51%
-60
- C4 -
-
1M6N
-
SECA_BACSU
A:
[5-778]
-----
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
------------------------------------------------------------------------------------
13
PsiBlast_PDB
76.75
49%
-61
- C4 -
-
3JV2
1
SECA_BACSU
A:
[18-774]
----------------
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
-------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.70
58%
-73
- C4 -
-
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
---------------------------------------------------------------------------
22
PsiBlast_CBE
76.48
49%
-62
- C4 -
-
3JV2
1
SECA_BACSU
B:
[17-774]
---------------
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
-------------------------------------------------------------------------------------------
4
PsiBlast_PDB
76.10
60%
3
- C4 -
-
2VDA
-
SECA_ECOLI
A:
[9-836]
--------
V
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
R
----
Q
E
K
----
E
DS
E
T
F
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
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
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
E
E
-------------------------------------------------------------------------
68
Fugue
75.80
49%
-51
- C4 -
-
1M6N
-
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
-----------------------------------------------
51
HHSearch
75.65
61%
5
- C4 -
-
2VDA
-
SECA_ECOLI
A:
[11-829]
----------
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
----
R
Q
E
KE--
D
S-
E
T
F
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
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
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
------------------------------------------------------------------------------------
8
PsiBlast_PDB
75.65
46%
-56
- C4 -
-
3IQY
-
SECA_BACSU
A:
[13-802]
--------------
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
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
----------------------------------
69
Fugue
75.50
53%
24
- C4 -
-
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
PDQ
L
V
L
R
H
D
H
---
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
E
P
----
G
--
V
R
K
E
P
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
EGFDRY
E
W
K
V
E
L
F
I
K
K
M
V
A
G
--------------------------------------
K
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
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
-----------------------------------------------------
10
PsiBlast_PDB
75.25
49%
-54
- C4 -
-
1M74
1
SECA_BACSU
A:
[12-771]
-------------
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
-------------------------------------------------------------------------------------------
9
PsiBlast_PDB
74.89
49%
-57
- C4 -
-
1M6N
-
SECA_BACSU
A:
[12-771]
-------------
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
-------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.66
48%
-54
- C4 -
-
3IQM
-
SECA_BACSU
A:
[12-771]
-------------
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
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
-------------------------------------------------------------------------------------------
49
HHSearch
73.51
53%
32
- C4 -
-
2IPC
-
SECA_THET8
A:
[4-936]
----
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
EP
G
--
V
R
K
E
P
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
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
------------------------------------------------------------------------------------
50
HHSearch
73.32
53%
35
- C4 -
-
2IPC
-
SECA_THET8
D:
[6-936]
------
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
PAEP
G
--
V
R
K
E
P
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
EPRLYLPRLEMRLELFKKASQKQQGPEWERLRKLLERPAQLKDEDLAPFEGLIPPKGNLRTAWEGLKRAVHTLAVL
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
EGFDRYEWKVELFIKKMVAGKEEEARALAQELGIREE
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
EE
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
------------------------------------------------------------------------------------
21
PsiBlast_CBE
73.26
60%
6
- C4 -
-
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
R
----
Q
----------------------------------
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
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
E
E
-------------------------------------------------------------------------
12
PsiBlast_PDB
72.55
49%
-45
- C4 -
-
2IBM
1
SECA_BACSU
A:
[12-771]
-------------
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
-------------------------------------------------------------------------------------------
18
PsiBlast_PDB
72.34
46%
-60
- C4 -
-
5EUL
19
SECA_BACSU
A:
[14-818]
---------------
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
----------------------
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
--
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
-------
E
I
V
E
N
M
I
K
S
S
L
E
R
A
I
A
A
Y
--------------------------------------------
M
L
E
L
I
M
D
R
I
I
T
K
Y
N
E
------
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
GSKKTA
I
A
I
A
V
A
L
A
G
F
A
T
V
ASYAQYEDGCSGELERQHTFAGGPG
A
---
P
L
R
E
Y
Q
M
E
G
F
A
M
F
E
H
M
I
E
S
I
E
D
E
V
-------------------------------------------------------------------------------------------
52
HHSearch
68.84
49%
24
- C4 -
-
4YS0
1
SECA_THEMA
A:
[5-816]
-----------
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
------------------------------------------------------------------------------------
53
HHSearch
68.82
49%
18
- C4 -
-
3JUX
1
SECA_THEMA
A:
[4-815]
----------
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
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
-------------------------------------------------------------------------------------
25
PsiBlast_CBE
67.11
43%
19
- C4 -
-
4YS0
1
SECA_THEMA
A:
[2-802]
--------
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
--------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
66.91
43%
15
- C4 -
-
3JUX
1
SECA_THEMA
A:
[4-802]
----------
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
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
--------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
61.40
65%
-3
- C4 -
-
5K9T
1
?
A:
[3-578]
--------------
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
A
A
G
A
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
A
A
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
R
----
Q
E
K
----
E
DS
E
T
F
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
HHSearch
51.84
66%
7
* C4 *
-
3BXZ
2
SECA_ECOLI
B:
[13-458]
----------
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
RC
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
32.41
60%
38
- C4 -
-
3BXZ
2
SECA_ECOLI
B:
[197-458]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
E
E
R
V
Q
R
K
L
H
Y
A
L
VDEVDSILID
E
A
R
T
P
L
I
I
------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
30.79
60%
42
- C4 -
-
3BXZ
2
SECA_ECOLI
A:
[197-456]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
E
E
R
V
Q
R
K
L
H
Y
A
L
V
D
EVDSILID
E
A
R
T
P
L
I
I
------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------