@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 : B0VP30: (2017-11-19 )
MTQYTAQSLEVLSGLDPVRRRPGMYTDTSRPNHLAQEVIDNAVDEALAGHADKICVTVYKDGSLSVEDNGRGMPVDIHPEYGQSGIEIILTKLHAGGKFSTDNYQFSGGLHGVGISVVNALSTRVEVEVQRQGNLYQMAFEQGEPVAPLAVLEGKAPKRATGTTVRFWPEAKYFDSPKFALKALKHNLKAKAVLAAGLKITYIDQINDEKIEWQFENGLVDYLMDELQDREILPNPAFVSSGQADRAACEFAICWNVEGGEQVQESYVNLIPTAQGGTHVNGLRSGVTEALREFCELRNLLPRNLKLSAEDVWDGVNYILSLKFQEPQFSGQTKERLSSREAANIVLNIAKDAFALWLNQHAEIAMQLAEMVISKAGRRLKAAKKVERKKIVSGPALPGKLADCVGQTREESELFIVEGDSAGGSAKQARDKNFQAIMPIRGKILNTWEVSSDEVLASQEVHDIAIAIGVDPGSDDLSELRYGKICILADADSDGLHIATLLCALFVKHFPALVEEGHLYVAMPPLFRIDIGKDVHYALDDEELETILKNVKGNKNPQITRFKGLGEMNAIQLRETTMDPNTRRLVQLDLDDAHLTAGLLDKLLAKKRAADRKQWLEQKGNLADITV
Atome Classification :
(55 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.....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MTQ-
Y
T
A
Q
S
L
E
V
L
SGL
D
P
V
RRRPGMY----T----D----TS---R
P
----
N
H
L
A
Q
E
V
I
D
N
A
V
D
E
A
L
AGHA
D
---
K
I
C
V
T
V
YKDG--
S
L
S
VEDNGRGM
P
V
D
IH
P
E
YGQS
G
I
E
I
I
L
T
K
LHAGGKFSTD
N
Y
Q
FSG-------GLH
G
V
G
I
S
V
V
N
ALS
T
R
V
E
V
E
V
QR-QG
N
L
Y
Q
MAFEQ-GE-PVA
P
L
A
V
LEGKAPKRATGT
T
V
R
F
W-------PEAKYF-DS-
P
K
F
A
L
K
A
L
K
H
N
L
K
A
K
A
V
L
AAG
L
K
I
T
Y
I
DQ----IND
E
--------
K
I
E
---
W
Q
FEN
G
L
---
V
D
Y
L
M
D
E
LQDREILPNPAFVSSGQ--ADR
A
A
C
E
F
A
I
C
W
NVE
G
-
G
-
E
Q
V
Q
E
S
Y
V
N
L
IPTAQGGT
H
V
N
G
L
R
S
G
V
T
E
A
L
R
E
F
C
E
L
R
N
L-LP-R-NLKL
S
A
--
E
D
V
W
D
G
V
N
Y
I
L
S
L
K
FQEP--QFS
G
Q
T
K
E
R
LSSR
E
A
A
N
I
V
L
N
I
A
K
D
A
F
A
L
W
L
N
Q
H
A
E
I
A
M
Q
L
A
E
M
V
I
S
-----KAG
R
R
L
K
A
A
K
K
V
E
R
K
KIVSGPAL
P
G
K
L
A
D
C
VGQTREES
E
L
F
I
V
EGDSAGGSAKQARDKNF
Q
A
IMPIR
G
K
I
L
N
T
W
EVSSDE
V
L
ASQE
V
H
D
I
A
I
A
I
GVDPGS
D
--
D
L
S
ELRYG
K
I
C
I
L
A
DADSD
G
L
H
I
A
T
L
L
C
A
L
F
V
K
H
F
P
A
L
V
EEG
H
L
Y
V
AMP
P
L
F
R
I
DIGKD
V
H
YAL
D
D
E
E
L
E
T
I
L
K
N
V-------------------------------------------------------------------------------------------------------------------------------------------------------------------------K-GNKNPQ
I
T
R
F
KGLGEM
N
A
I
Q
L
R
ETTMDPNT
R
R
L
V
Q
LDLDD
A
H
--
L
T
A
G
L
L
D
K
L
L
A
K
K
RA
A
D
R
K
Q
W
L
E
QKGNLADITV
2
PsiBlast_PDB
78.41
60%
-101
- C3 -
-
3LNU
-
?
A:
[59-422]
--------------
G
L
D
P
V
K
R
R
P
G
M
Y
----
T
----
D
----
T
A
---
R
P
----
N
H
L
A
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
Q
I
E
V
T
L
Y
K
D
G
--
S
C
E
V
S
D
D
G
R
G
M
P
V
D
I
H
P
E
E
K
I
P
G
V
E
L
I
L
T
R
L
---------------------------
G
V
S
V
V
N
A
L
S
T
K
V
E
L
F
I
K
R
-
E
G
S
E
H
R
M
E
F
R
D
-
G
N
-
A
A
S
K
L
E
V
V
-
G
T
V
G
K
K
N
T
G
T
R
L
R
F
W
-------
A
D
P
K
Y
F
-
D
T
-
P
K
F
N
V
R
A
L
R
H
L
L
R
A
K
A
V
L
C
P
G
L
T
V
K
L
H
D
E
----
A
T
G
E
--------
Q
D
S
---
W
Y
F
E
N
G
L
---
R
D
Y
L
K
G
E
M
A
E
H
E
M
L
P
A
D
L
F
V
G
S
L
K
--
K
D
T
E
I
V
D
W
A
A
G
W
-
V
P
E
-
G
-
E
L
V
Q
E
S
Y
V
N
L
I
P
T
A
Q
H
G
T
H
V
N
G
L
R
S
G
L
T
D
A
L
R
E
F
C
D
F
R
N
L
-
L
P
-
R
-
G
V
K
L
A
P
--
E
D
V
W
D
R
V
T
F
V
L
S
L
K
M
T
D
P
--
Q
F
S
G
Q
T
K
E
R
L
S
S
R
Q
A
A
G
F
I
E
G
A
A
H
D
A
F
S
L
Y
L
N
Q
N
V
E
I
G
E
K
I
A
Q
I
A
I
D
-----
R
A
S
A
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
75.63
48%
-91
- C3 -
-
4HXZ
1
PARE_FRATH
A:
[8-381]
--------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
-----------------
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
-
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
L
---
K
G
Y
L
D
H
K
L
E
A
E
T
L
P
A
E
P
F
I
I
D
N
F
S
--
N
G
D
S
Y
L
D
A
V
F
C
W
C
E
D
P
-
S
-
E
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
N
S
L
-
S
V
-
K
-
N
I
K
I
T
A
--
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
--
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
-----
V
A
Q
K
R
I
N
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
130
HHSearch
75.45
60%
-45
- C3 -
-
1S16
2
PARE_ECOLI
B:
[4-383]
--
T
-
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
-------
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
D
G
L
---
N
D
Y
L
A
E
A
V
N
G
L
P
T
L
P
E
K
P
F
I
G
N
F
A
G-
D
T
E
-
A
V
D
W
A
L
L
W
L
-
P
E
G
G
E
L
-
L
T
E
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
Y
R
N
I
-
L
P
-
R
-
G
V
K
L
S
A
--
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
--
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
L
L
A
E
M
A
I
S
-----
S
A
Q
R
R
M
R
A
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
73.92
48%
-84
- C3 -
-
4HYM
1
PARE_FRATH
A:
[7-377]
-------
K
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
N
------
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
-
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
L
---
K
G
Y
L
D
H
K
L
E
A
E
T
L
P
A
E
P
F
I
I
D
N
F
S
--
N
G
D
S
Y
L
D
A
V
F
C
W
C
E
D
P
-
S
-
E
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
N
S
-------
N
I
K
I
T
A
--
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
--
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
-----
V
A
Q
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
73.57
48%
-92
- C3 -
-
4KQV
1
PARE_FRATH
A:
[7-380]
-------
K
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
N
-----------------
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
-
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
L
---
K
G
Y
L
D
H
K
-----
L
P
A
E
P
F
I
I
D
N
F
S
--
N
G
D
S
Y
L
D
A
V
F
C
W
C
------
E
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
N
S
L
-
S
V
-
K
-
N
I
K
I
T
A
--
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
--
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
-----
V
A
Q
K
R
I
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
71.80
40%
36
- C4 -
-
4JUO
1
PARE_STRPN
C:
[47-657]
-----------------
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
---
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
---------------
T
V
E
V
I
F
T
I
L
H
A
G
G
K
F
-----------------
L
H
G
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
P
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
--
V
---
Q
D
F
V
S
Y
L
N
E
D
K
E
I
L
-
T
P
V
L
Y
F
E
G
E
--
D
N
G
F
Q
V
E
V
A
L
Q
Y
N
-
D
G
-
F
-
S
D
N
I
L
S
F
V
N
N
V
R
T
K
D
G
G
T
H
E
T
G
L
K
S
A
I
T
K
V
M
N
D
Y
A
R
K
T
G
L
-
L
K
E
K
-----
E
G
--
S
D
Y
R
E
G
L
A
A
V
L
S
I
L
V
P
E
E
HL
Q
F
E
G
Q
T
K
D
K
L
G
S
P
L
A
R
P
V
V
D
G
I
V
A
D
K
L
T
F
F
L
M
E
N
G
E
L
A
S
N
L
I
R
K
A
I
K
ARDAR
E
A
A
R
K
A
R
-------------------
L
T
P
A
Q
S
K
N
P
A
K
N
E
L
Y
L
V
E
G
D
S
A
G
G
S
A
K
Q
G
R
D
R
K
F
Q
A
I
L
P
L
R
G
K
V
I
N
T
A
K
A
K
M
A
D
I
L
K
N
E
E
I
N
T
M
I
Y
T
I
G
A
G
V
G
A
D
F-
S
I
E
D
A
N
Y
D
K
I
I
I
M
T
D
A
D
T
D
G
A
H
I
Q
T
L
L
L
T
F
F
Y
R
Y
M
R
P
L
V
E
A
G
H
V
Y
I
A
-
P
P
L
Y
K
-------
A
Y
A
W
T
D
G
E
L
E
E
L
R
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
R
Y
K
G
L
G
E
M
N
A
D
Q
L
W
E
T
T
M
N
P
E
T
R
T
L
I
R
V
T
I
E
D
L
A
--
R
A
E
R
R
V
N
V
L
M
G
D
K
-
V
E
P
R
R
K
W
I
E
----------
119
HHSearch
71.69
100%
0
- C- -
-
2XKJ
-
?
E:
[19-270]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
K
K
I
V
S
G
P
A
L
P
G
K
L
A
D
C
V
G
-
T
R
E
E
S
E
L
F
I
V
E
G
D
S
A
G
G
S
A
K
Q
A
R
D
K
N
F
Q
A
I
M
P
I
R
G
K
I
L
N
T
W
E
V
S
S
D
E
V
L
A
S
Q
E
V
H
D
I
A
I
A
I
G
V
D
P
G
S
D
--
D
L
S
E
L
R
Y
G
K
I
C
I
L
A
D
A
D
S
D
G
L
H
I
A
T
L
L
C
A
L
F
V
K
H
F
P
A
L
V
E
E
G
H
L
Y
V
A
M
P
P
L
F
R
I
D
I
G
K
D
V
H
Y
A
L
D
D
E
E
L
E
T
I
L
K
N
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-
G
N
K
N
P
Q
I
T
R
F
K
G
L
G
E
M
N
A
I
Q
L
R
E
T
T
M
D
P
N
T
R
R
L
V
Q
L
D
L
D
D
A
H
--
L
T
A
G
L
L
D
K
L
L
A
K
K
R
A
A
D
R
K
Q
W
L
E
Q
K
G
N
------
4
PsiBlast_PDB
71.46
40%
41
* C4 *
-
4I3H
2
?
A:
[24-642]
-----------------
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
---
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
---------------
T
V
E
V
I
F
T
I
L
H
A
G
G
K
F
-----------------
L
H
G
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
P
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
N
G
V
---
Q
D
F
V
S
Y
L
N
E
D
K
E
I
L
-
T
P
V
L
Y
F
E
G
E
--
D
N
G
F
Q
V
E
V
A
L
Q
Y
N
-
D
G
-
F
-
S
D
N
I
L
S
F
V
N
N
V
R
T
K
D
G
G
T
H
E
T
G
L
K
S
A
I
T
K
V
M
N
D
Y
A
R
K
T
G
L
-
L
K
E
K
-----
E
G
--
S
D
Y
R
E
G
L
A
A
V
L
S
I
L
V
P
E
E
H
L
Q
F
E
G
Q
T
K
D
K
L
G
S
P
L
A
R
P
V
V
D
G
I
V
A
D
K
L
T
F
F
L
M
E
N
G
E
L
A
S
N
L
I
R
K
A
I
K
A
R
D
A
R
E
A
A
R
K
A
R
-----------------
G
K
L
T
P
A
Q
S
K
N
P
A
K
N
E
L
Y
L
V
E
G
D
S
A
G
G
S
A
K
Q
G
R
D
R
K
F
Q
A
I
L
P
L
R
G
K
V
I
N
T
A
K
A
K
M
A
D
I
L
K
N
E
E
I
N
T
M
I
Y
T
I
G
A
G
V
G
A
D
F-
S
I
E
D
A
N
Y
D
K
I
I
I
M
T
D
A
D
T
D
G
A
H
I
Q
T
L
L
L
T
F
F
Y
R
Y
M
R
P
L
V
E
A
G
H
V
Y
I
A
L
P
P
L
Y
K
M
S
K
G
---
A
Y
A
W
-
D
G
E
L
E
E
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
R
Y
K
G
L
G
E
M
N
A
D
Q
L
W
E
T
T
M
N
P
E
T
R
T
L
I
R
V
T
I
E
D
L
A
--
R
A
E
R
R
V
N
V
L
M
G
D
K
-
V
E
P
R
R
K
W
I
E
----------
131
HHSearch
71.07
61%
-34
- C3 -
-
3LNU
-
?
A:
[59-422]
--------------
G
L
D
P
V
K
R
R
P
G
M
Y
----
T
----
D
----
T
A
---
R
P
----
N
H
L
A
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
Q
I
E
V
T
L
Y
K
D
G
--
S
C
E
V
S
D
D
G
R
G
M
P
V
D
I
H
P
E
E
K
I
P
G
V
E
L
I
L
T
R
L
---------------------------
G
V
S
V
V
N
A
L
S
T
K
V
E
L
F
I
K
R
-
E
G
S
E
H
R
M
E
F
R
D
-
G
N
-
A
A
S
K
L
E
V
V
-
G
T
V
G
K
K
N
T
G
T
R
L
R
F
W
-------
A
D
P
K
Y
F
-
D
T
-
P
K
F
N
V
R
A
L
R
H
L
L
R
A
K
A
V
L
C
P
G
L
T
V
K
L
H
D
E
----
A
T
G
E
--------
Q
D
S
---
W
Y
F
E
N
G
L
---
R
D
Y
L
K
G
E
M
A
E
H
E
M
L
P
A
D
L
F
V
G
S
L
K
K-
D
T
E
-
I
V
D
W
A
A
G
W
V
-
P
E
-
G
E
L
-
V
Q
E
S
Y
V
N
L
I
P
T
A
Q
H
G
T
H
V
N
G
L
R
S
G
L
T
D
A
L
R
E
F
C
D
F
R
N
L
-
L
P
-
R
-
G
V
K
L
A
P
--
E
D
V
W
D
R
V
T
F
V
L
S
L
K
M
T
D
P
--
Q
F
S
G
Q
T
K
E
R
L
S
S
R
Q
A
A
G
F
I
E
G
A
A
H
D
A
F
S
L
Y
L
N
Q
N
V
E
I
G
E
K
I
A
Q
I
A
I
D
-----
R
A
S
A
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
135
HHSearch
70.11
51%
-47
- C3 -
-
4HXZ
1
PARE_FRATH
A:
[8-381]
--------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
-----------------
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
-
D
N
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
L
---
K
G
Y
L
D
H
K
L
E
A
E
-
T
L
P
A
E
P
F
I
I
D
N
F
SN
G
D
S
-
Y
L
D
A
V
F
C
W
C
-
E
D
-
P
S
E
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
N
S
L
-
S
V
-
K
-
N
I
K
I
T
A
--
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
--
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
-----
V
A
Q
K
R
I
N
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
68.16
61%
14
- C3 -
-
1S16
2
PARE_ECOLI
A:
[4-383]
---T
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
-------
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
D
G
L
---
N
D
Y
L
A
E
A
V
N
G
L
P
T
L
P
E
K
P
F
I
G
N
F
A
--
G
D
T
E
A
V
D
W
A
L
L
W
L
P
E
G
-
G
-
E
L
L
T
E
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
Y
R
N
I
-
L
P
-
R
-
G
V
K
L
S
A
--
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
--
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
L
L
A
E
M
A
I
S
-----
S
A
Q
R
R
M
R
A
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
67.60
61%
14
- C3 -
-
1S16
2
PARE_ECOLI
B:
[4-383]
---T
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
-------
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
D
G
L
---
N
D
Y
L
A
E
A
V
N
G
L
P
T
L
P
E
K
P
F
I
G
N
F
A
--
G
D
T
E
A
V
D
W
A
L
L
W
L
P
E
G
-
G
-
E
L
L
T
E
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
Y
R
N
I
-
L
P
-
R
-
G
V
K
L
S
A
--
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
--
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
L
L
A
E
M
A
I
S
-----
S
A
Q
R
R
M
R
A
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
117
HHSearch
59.75
44%
-24
- C4 -
-
4TMA
-
?
B:
[22-399]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
L
A
D
C
Q
E
R
D
P
A
L
S
E
L
Y
L
V
E
G
D
S
A
G
G
S
A
K
Q
G
R
N
R
K
N
Q
A
I
L
P
L
K
G
K
I
L
N
V
----
Y
D
K
M
L
S
S
Q
E
V
A
T
L
I
T
A
L
G
C
G
I
G
R
D
EY
N
P
D
K
L
R
Y
H
S
I
I
I
M
T
D
A
D
V
D
G
S
H
I
R
T
L
L
L
T
F
F
Y
R
Q
M
P
E
I
V
E
R
G
H
V
Y
I
A
Q
P
P
L
Y
K
V
K
K
G
K
Q
E
Q
Y
I
K
D
D
E
A
M
D
Q
Y
Q
I
S
I
A
L
DGATLHTNASAP
A
L
A
G
E
A
L
E
K
L
V
S
E
Y
N
A
T
Q
K
M
I
N
R
M
E
RRYP
K
A
M
L
K
E
L
I
Y
Q
P
T
L
T
E
A
D
L
S
D
E
Q
T
V
T
R
W
V
N
A
L
V
S
E
L
N
D
K
EQHG
S
Q
W
K
F
D
V
H
T
N
AEQN
L
F
E
P
I
V
R
V
RTHGVD
T
D
Y
P
L
D
H
E
F
I
T
GG
E
Y
R
R
I
C
T
L
G
E
K
L
R
GLLEED
A
F
I
E
R
GE
R
R
Q
P
V
AS
F
E
Q
A
L
D
W
L
V
K
E
-
S
R
R
G
L
S
I
Q
R
Y
K
G
L
G
E
M
N
P
E
Q
L
W
E
T
T
M
D
P
E
S
R
R
M
L
R
V
T
V
K
D
A
I
--
A
A
D
Q
L
F
T
T
L
M
G
D
---------------------
127
HHSearch
57.39
71%
-76
- C4 -
-
5EIX
1
?
A:
[12-251]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
L
A
D
C
T
A
Q
D
L
N
R
T
E
L
F
L
V
E
G
D
S
A
G
G
S
A
K
Q
A
R
D
R
E
Y
Q
A
I
M
P
L
K
G
K
I
L
N
T
W
E
V
S
S
D
E
V
L
A
S
Q
E
V
H
D
I
S
V
A
I
G
I
D
P
D
S
D
--
D
L
S
Q
L
R
Y
G
K
I
C
I
L
A
D
A
D
S
D
G
L
H
I
A
T
L
L
C
A
L
F
V
R
H
F
R
T
L
V
K
E
G
H
V
Y
V
A
L
P
P
L
Y
R
I
D
L
G
K
E
V
Y
Y
A
L
T
E
E
E
K
T
G
V
L
E
Q
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
K
K
G
K
P
N
V
Q
R
F
K
G
L
G
E
M
N
P
M
Q
L
R
E
T
T
L
D
P
N
T
R
R
L
V
Q
L
V
I
S
D
E
D
E
Q
Q
T
T
A
I
M
D
M
L
L
A
K
K
R
S
E
D
R
R
N
W
L
Q
E
K
G
D
------
140
Fugue
54.42
37%
40
- C3 -
-
1KIJ
3
GYRB_THET8
A:
[7-390]
--------
A
I
R
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
IGGT
G
---------
V
E
---
G
Y
----
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
Y
A
T
---
E
I
L
V
R
L
N
E
D
G
--
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
G
A
Y
K
V
S
G
-------
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
-
E
G
K
H
H
R
I
A
F
S
R
-
G
E
-
V
T
E
P
L
R
V
V
-
G
E
A
P
R
G
K
T
G
T
R
V
T
F
K
-------
P
D
P
E
I
F
G
N
--
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
R
----
Q
H
G
K
--------
E
E
V
---
F
L
D
K
G
G
V
---
A
S
F
A
K
A
L
A
E
G
E
D
L
L
Y
E
K
P
F
L
I
R
G
T
--
H
G
E
V
E
V
E
V
G
F
L
H
T
-
Q
G
-
Y
-
N
A
E
I
L
T
Y
A
N
M
I
P
T
R
D
G
G
T
H
L
T
A
F
K
S
A
Y
S
R
A
L
N
Q
Y
A
K
K
A
G
L
-
N
K
-
E
K
G
P
Q
P
T
G
--
D
D
L
L
E
G
L
Y
A
V
V
S
V
K
L
P
N
P
--
Q
F
E
G
Q
T
K
G
K
L
L
N
P
E
A
G
T
A
V
G
Q
V
V
Y
E
R
L
L
E
I
L
E
E
N
P
R
I
A
K
A
V
Y
E
K
A
L
R
-----
A
A
Q
A
R
E
A
A
R
K
A
R
E
L
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
133
HHSearch
53.64
37%
46
- C3 -
-
3ZKB
2
GYRB_MYCTU
D:
[14-427]
Q
D
E
-
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
----
I
----
G
STG-
E
R
---
G
L
----
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
---
T
V
N
V
V
L
L
E
D
G
--
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
-
S
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
-
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
L
-
K
Q
G
-
A
--
P
T
K
K
T
G
S
T
V
R
F
W
-------
A
D
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
----
R
V
T
Q
STAPHK
V
K
S
R
T
---
F
H
Y
P
G
G
L
---
V
D
F
V
K
H
I
N
R
T
K
N
A
I
H
S
S
I
V
D
F
S
G
K
G
-
T
G
H
-
E
V
E
I
A
M
Q
W
N
-
A
G
-
Y
S
E
-
S
V
H
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
D
R
K
L
-
L
K
-
D
K
D
P
N
L
T
G
--
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
--
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
V
V
V
N
K
A
V
S
-----
S
A
Q
A
R
I
A
A
R
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
53.56
37%
28
- C3 -
-
1KIJ
3
GYRB_THET8
A:
[7-371]
--------
A
I
R
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
IGG-
T
----
G
----
V
E
---
G
Y
----
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
Y
A
T
---
E
I
L
V
R
L
N
E
D
G
--
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
G
A
Y
K
V
S
G
-------
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
-
E
G
K
H
H
R
I
A
F
S
R
-
G
E
-
V
T
E
P
L
R
V
V
-
G
E
A
P
R
G
K
T
G
T
R
V
T
F
K
-------
P
D
P
E
I
F
-
G
N
-
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
R
----
Q
H
G
K
--------
E
E
V
---
F
L
D
K
G
G
V
---
A
S
F
A
K
A
L
A
E
G
E
D
L
L
Y
E
K
P
F
L
I
R
G
T
--
H
G
E
V
E
V
E
V
G
F
L
-
H
T
Q
G
-
Y
-
N
A
E
I
L
T
Y
A
N
M
I
P
T
R
D
G
G
T
H
L
T
A
F
K
S
A
Y
S
R
A
L
N
Q
Y
A
K
K
A
G
L
N
K
E
-
K
-
G
P
Q
P
T
G
--
D
D
L
L
E
G
L
Y
A
V
V
S
V
K
L
P
N
P
--
Q
F
E
G
Q
T
K
G
K
L
L
N
P
E
A
G
T
A
V
G
Q
V
V
Y
E
R
L
L
E
I
L
E
E
N
P
R
I
A
K
A
V
Y
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
52.92
37%
33
- C3 -
-
1KIJ
3
GYRB_THET8
B:
[7-371]
--------
A
I
R
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
IGG-
T
----
G
----
V
E
---
G
Y
----
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
Y
A
T
---
E
I
L
V
R
L
N
E
D
G
--
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
G
A
Y
K
V
S
G
-------
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
-
E
G
K
H
H
R
I
A
F
S
R
-
G
E
-
V
T
E
P
L
R
V
V
-
G
E
A
P
R
G
K
T
G
T
R
V
T
F
K
-------
P
D
P
E
I
F
-
G
N
-
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
R
----
Q
H
G
K
--------
E
E
V
---
F
L
D
K
G
G
V
---
A
S
F
A
K
A
L
A
E
G
E
D
L
L
Y
E
K
P
F
L
I
R
G
T
--
H
G
E
V
E
V
E
V
G
F
L
-
H
T
Q
G
-
Y
-
N
A
E
I
L
T
Y
A
N
M
I
P
T
R
D
G
G
T
H
L
T
A
F
K
S
A
Y
S
R
A
L
N
Q
Y
A
K
K
A
G
L
N
K
E
-
K
-
G
P
Q
P
T
G
--
D
D
L
L
E
G
L
Y
A
V
V
S
V
K
L
P
N
P
--
Q
F
E
G
Q
T
K
G
K
L
L
N
P
E
A
G
T
A
V
G
Q
V
V
Y
E
R
L
L
E
I
L
E
E
N
P
R
I
A
K
A
V
Y
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
128
HHSearch
52.89
37%
31
- C3 -
-
1EI1
4
GYRB_ECOLI
B:
[2-386]
-
N
S
-
S
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
----
G
DTDD
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
--
E
T
E
K
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
-
T
N
V
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
---
K
A
F
V
E
Y
L
N
K
N
K
T
P
I
H
P
N
I
F
Y
F
S
T
E
K-
D
G
I
-
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
Q
E
-
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
K
E
G
Y
-
S
K
-
K
A
K
V
S
A
T
G
--
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
I
V
V
G
K
I
I
D
-----
A
A
R
A
R
E
A
A
R
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
52.38
33%
47
- C3 -
-
3ZKD
2
GYRB_MYCTU
H:
[17-426]
----
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
----
I
----
G
----
S
T
---
G
E
R
G
L
-
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
---
T
V
N
V
V
L
L
E
D
G
--
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
-
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
-------
A
D
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
RVTQ------------
K
V
K
S
R
T
F
H
Y
P
G
G
L
---
V
D
F
V
K
H
I
N
R
T
K
N
A
I
H
S
S
I
V
D
F
S
G
K
--
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
-
E
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
D
R
K
L
-
L
----
D
P
N
L
T
G
--
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
--
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
V
V
V
N
K
A
V
S
-----
S
A
Q
A
R
I
A
A
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
52.14
40%
31
- C3 -
-
4PRX
2
GYRB_ECOLI
A:
[16-367]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-------------
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
52.11
40%
36
- C3 -
-
4WUC
1
GYRB_ECOLI
A:
[4-360]
----
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
-
T
N
V
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-------
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
138
HHSearch
51.87
37%
44
- C3 -
-
1KIJ
3
GYRB_THET8
B:
[7-385]
--------
A
I
R
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
----
I
GGT-
G
----
V
E
---
G
Y
----
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
Y
A
T
---
E
I
L
V
R
L
N
E
D
G
--
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
G
A
Y
K
V
S
G
-------
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
-
E
G
K
H
H
R
I
A
F
S
R
-
G
E
-
V
T
E
P
L
R
V
V
-
G
E
A
P
R
G
K
T
G
T
R
V
T
F
K
-------
P
D
P
E
I
F
-
G
N
-
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
R
----
Q
H
G
K
--------
E
E
V
---
F
L
D
K
G
G
V
---
A
S
F
A
K
A
L
A
E
G
E
D
L
L
Y
E
K
P
F
L
I
R
G
T
H-
G
E
V
-
E
V
E
V
G
F
L
H
T
-
Q
G
-
Y
N
A
-
E
I
L
T
Y
A
N
M
I
P
T
R
D
G
G
T
H
L
T
A
F
K
S
A
Y
S
R
A
L
N
Q
Y
A
K
K
A
G
L
-
N
K
-
E
K
G
P
Q
P
T
G
--
D
D
L
L
E
G
L
Y
A
V
V
S
V
K
L
P
N
P
--
Q
F
E
G
Q
T
K
G
K
L
L
N
P
E
A
G
T
A
V
G
Q
V
V
Y
E
R
L
L
E
I
L
E
E
N
P
R
I
A
K
A
V
Y
E
K
A
L
R
-----
A
A
Q
A
R
E
A
A
R
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
51.82
40%
35
- C3 -
-
4XTJ
1
GYRB_ECOLI
A:
[4-360]
----
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
-
T
N
V
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-------
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
51.76
64%
-84
- C3 -
-
3FV5
1
PARE_ECOLI
A:
[1-201]
--------------
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
----------------------------
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
51.73
40%
36
- C3 -
-
4WUB
1
GYRB_ECOLI
A:
[4-360]
----
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
-
T
N
V
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-------
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
51.69
48%
-76
- C3 -
-
4HY1
1
PARE_FRATH
B:
[8-271]
--------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
-------------------
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
-
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
L
---
K
G
Y
L
D
H
K
L
-
A
E
T
L
P
A
E
-------------------------
P
-
S
-
E
S
I
K
N
S
Y
V
N
L
I
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
141
Fugue
51.03
36%
40
- C3 -
-
1EI1
4
GYRB_ECOLI
A:
[1-391]
S
N
S
-
S
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
----
G
----
D
T
---
D
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
E
K
---
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
---
K
A
F
V
E
Y
L
N
K
N
K
T
P
I
H
P
N
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
-
E
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
K
E
G
Y
-
S
K
-
K
A
K
V
S
A
T
G
--
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
I
V
V
G
K
I
I
D
-----
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
50.73
40%
34
- C3 -
-
1EI1
4
GYRB_ECOLI
A:
[9-360]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-
K
-
K
A
K
V
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
50.72
40%
30
- C3 -
-
4PU9
1
GYRB_ECOLI
A:
[16-367]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-
K
------------
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
50.71
64%
-67
- C3 -
-
4HZ0
1
PARE_ECOLI
B:
[3-205]
-------------
T
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
-------
G
L
--
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
50.68
64%
-60
- C3 -
-
4HZ0
1
PARE_ECOLI
A:
[3-205]
-------------
T
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
-------
G
L
--
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
50.61
40%
37
- C3 -
-
4WUD
1
GYRB_ECOLI
A:
[4-360]
----
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
-
T
N
V
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-------
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
50.28
40%
31
- C3 -
-
4ZVI
1
GYRB_ECOLI
A:
[1-346]
---------------
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
--------------------------
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
--
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-
K
-
K
A
K
V
S
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
50.08
64%
-75
- C3 -
-
3FV5
1
PARE_ECOLI
B:
[1-201]
--------------
G
L
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
---------------------------
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
49.80
40%
34
- C3 -
-
1EI1
4
GYRB_ECOLI
B:
[9-360]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
KAF
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
S
-
K
-
K
A
K
V
S
A
TG
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
49.65
40%
35
- C3 -
-
4PRV
1
GYRB_ECOLI
A:
[16-367]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
G
G
I
K
A
F
V
E
Y
L
--
N
K
N
K
T
P
I
H
P
N
-
I
F
Y
F
S
T
E
--
K
D
G
I
G
V
E
V
A
L
Q
W
N
-
D
G
-
F
-
Q
E
N
I
Y
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
-
K
E
G
-
Y
---------------
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
--
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
48.76
48%
-61
- C3 -
-
4KQV
1
PARE_FRATH
B:
[8-217]
--------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
----
T
----
N
----
I
E
---
N
P
----
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
---
K
I
N
I
T
L
Y
E
D
N
--
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
---------------------
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
-
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
-
V
G
K
K
N
T
G
T
K
I
R
F
W
-------
P
N
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
----
I
K
K
E
--------
K
L
T
---
W
H
F
E
T
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
46.72
54%
-69
- C3 -
-
1S14
1
PARE_ECOLI
A:
[27-194]
------------------------------
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
------------------------------
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
45.88
54%
-65
- C3 -
-
1S14
1
PARE_ECOLI
B:
[17-194]
----------------
E
P
V
R
R
R
P
G
M
Y
----
T
----
D
----
T
T
---
R
P
----
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
---
R
V
D
V
I
L
H
A
D
Q
--
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
------------------------------
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
-
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
-
G
T
C
G
K
R
N
T
G
T
S
V
H
F
W
-------
P
D
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
----
I
N
N
T
--------
E
Q
R
---
W
C
Y
Q
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
39.03
47%
8
- C3 -
-
4DUH
1
GYRB_ECOLI
B:
[12-217]
-----------
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-------------------
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
37.42
47%
1
- C3 -
-
4HYP
1
GYRB_ECOLI
D:
[2-205]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
36.92
47%
12
- C3 -
-
5MMP
1
?
A:
[24-233]
---------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
--------------------------
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
36.64
47%
19
- C3 -
-
4DUH
1
GYRB_ECOLI
A:
[15-217]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
---------------
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
36.36
47%
7
- C3 -
-
4HYP
1
GYRB_ECOLI
C:
[2-205]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
36.28
47%
10
- C3 -
-
4HYP
1
GYRB_ECOLI
B:
[2-205]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
36.10
49%
5
- C3 -
-
3G7E
1
GYRB_ECOLI
A:
[1-194]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
35.90
47%
0
- C3 -
-
4HYP
1
GYRB_ECOLI
A:
[2-205]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
34.97
47%
24
- C3 -
-
5MMN
1
?
A:
[21-233]
------
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
--------
N
S
Y
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
34.78
47%
17
- C3 -
-
4KFG
1
GYRB_ECOLI
A:
[2-206]
--------------
G
L
D
A
V
R
K
R
P
G
M
Y
----
I
GDTD
D
----
G
T
---
G
L
----
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
---
E
I
I
V
T
I
H
A
D
N
--
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
-----------
K
V
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
-
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
-
G
E
T
E
K
--
T
G
T
M
V
R
F
W
-------
P
S
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
----
R
D
G
K
--------
E
D
H
---
F
H
Y
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
144
Fugue
32.33
45%
36
* C3 *
-
1KIJ
2
GYRB_THET8
A:
[7-218]
-----
A
I
R
---
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
----
I
----
G
----
G
T
G
V
E
G
Y
----
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
---YAT
E
I
L
V
R
L
N
E
--DG
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
-------G
A
Y
K
V
S
G
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
E-
G
K
H
H
R
I
A
F
S
---
R
G
E
V
T
E
P
L
R
V
V
G
E
A
P
R
G
K
T
G
T
R
V
T
F
K
P
DPEIFG-------
N
--
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
-----
R
Q
H
----------
G
K
---
E
E
V
F
L
D
K
---
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
32.29
47%
33
- C3 -
-
4MB9
1
?
A:
[17-226]
----------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
-
M
G
I
P
T
V
E
V
I
F
T
I
L
H
A
G
-------------------
G
L
H
G
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
L
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
32.10
47%
31
- C3 -
-
4EM7
1
?
A:
[17-226]
----------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
-
M
G
I
P
T
V
E
V
I
F
T
I
L
H
A
------------------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
L
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
31.69
47%
37
- C3 -
-
4MBC
1
?
A:
[17-226]
----------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
-
M
G
I
P
T
V
E
V
I
F
T
I
L
H
A
------------------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
L
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
31.20
47%
37
- C3 -
-
4MOT
1
?
A:
[17-226]
----------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
IGS-
T
----
D
----
G
A
---
G
L
----
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
---
R
I
D
V
T
I
N
K
D
G
--
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
-
M
G
I
P
T
V
E
V
I
F
T
I
L
H
A
------------------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
-
D
G
A
V
Y
K
Q
R
F
E
N
G
G
K
-
P
V
T
T
L
K
K
I
-
G
T
A
L
K
S
K
T
G
T
K
V
T
F
M
-------
P
D
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
----
R
T
D
E
--------
A
I
E
---
F
H
Y
E
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------