@TOME V2.3
(Mar 2018)
Ref.
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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 : B0VMK3: (2017-11-08 )
MSSESQSASQTEQTNEKAYDSSSIKVLRGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCDEIIVTIHEEESVSVSDNGRGIPTDIHPEEGVSAAEVILTILHAGGKFDDNSYKVSGGLHGVGVSVVNALSSKLHLTIYRAGQIHEQEYHHGDPQYPLRVIGETDNTGTTVRFWPSAETFSQTIFNVEILARRLRELSFLNAGVRIVLRDERINLEHVYDYEGGLSEFVKYINEGKNHLNEIFHFTADADNGITVEVALQWNDSYQENVRCFTNNIPQKDGGTHLAGFRAALTRGLNQYLENENILKKEKVNVTGDDAREGLTAIISVKVPDPKFSSQTKEKLVSSEVKPAVEQAMNKEFSAYLLENPQAAKSIAGKIIDAARARDAARKAREMTRRKSALDIAGLPGKLADCQEKDPALSELYLVEGDSAGGSAKQGRNRKMQAILPLKGKILNVERARFDKMISSQEVGTLITALGCGIGREEYNPDKLRYHKIIIMTDADVDGSHIRTLLLTFFFRQMPELVERGHIYIAQPPLYKLKKGKQEQYIKDNDALETYLISNAIDELALHISADAPAITGEALAKVIQDYQVSQKSLQRLTLRYPASLLDALLEVDAFKADQNHDQAYVQQWADQVREAVEKLQPSLRPEITLETFERENAQGEKSAHYWPRVTVYVHNLPHAYLLDAGLLNSAEYARLLKNSKSWFKLIEDGAYLQKGDRRIQVANFHQVWQHILQDSRRGMMIQRYKGLGEMNAEQLWETTMDPENRNMLQVTIDDAIEADRMFSCLMGDDVEPRRAFIEENALNADIDA
Atome Classification :
(62 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MSSESQSASQTEQTNEKAYDSS
S
I
-
K
V
L
R
G
L
D
A
V
R
KRP
G
M
Y
IGDTDDGT
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
AGHC
D
---
E
I
I
V
T
I
HEEE
S
V
SVSDNGRGIPTDIH
P
E
EGV
S
A
A
E
V
I
L
T
I
L
HAGGKFDDN
S
Y
K
VSG-------GLH
G
V
G
V
S
V
V
N
A
L
SSK
L
H
L
T
I
Y
RAGQIH
E
Q
EYHH--GD-PQY
P
L
R
V
I
G--ET--D--N--T
G
T
T
V
R
F
WPS
A
E
T
F
S
Q
-
T
I
-
F
N
V
E
I
L
A
R
R
L
R
E
L
S
F
LNAG
V
R
I
V
L
RDERIN--------
L
--------------
E
H
V
YDYEG
G
L
S
E
F
V
K
Y
I
N
E
G
K
N
H
L
-
N
-
E
---
I
F
H
F
TADADN
G
I
T
V
E
V
A
L
Q
WND
S
Y
Q
-
E
N
V
-
R
C
F
TNNIPQKDGGT
H
L
A
G
F
R
A
A
L
T
R
G
L
N
Q
Y
L
ENENILKK
E
K
VNVTG
D
D
A
REG
L
T
A
I
I
S
V
KVPDPKF
S
S
Q
T
K
E
K
L
V
S
S
E
V
K
P
A
V
E
Q
A
M
N
K
E
F
S
A
Y
L
LEN
P
Q
A
A
K
S
I
A
G
K
I
I
D
A
A
R
A
R
D
A
A
R
K
A
R
E
M
T
R
R
KSALDIAGLPGKLADCQEKDPAL
S
E
L
Y
L
V
EGDSAGGSAKQGRNR
K
M
Q
A
I
LPLK
G
K
I
L
N
V
E
R
A
R
F
D
K
M
I
S
S
Q
E
V
G
T
L
I
T
A
L
GCGIGREEYNPD
K
L
R
Y
H
K
I
I
I
M
TDADV
D
G
S
H
I
R
T
L
L
L
T
F
F
F
R
Q
M
P
E
L
V
ERG
H
I
Y
IAQP
P
L
Y
K
L
KKGKQEQYIKD
N
D
A
L
E
T
Y
L
I
S
N
A
I
D
E
L
A
L
H
ISADAPAI
T
G
E
A
L
A
K
V
I
Q
D
Y
Q
V
S
Q
K
S
L
Q
R
L
T
L
RY
P
A
S
L
L
D
A
L
L
E
V
D
AFKADQNH
D
Q
A
Y
V
Q
Q
W
A
D
Q
V
R
E
A
V
E
KLQPSLRP
E
I
T
L
E
T
F
ERENAQGEKSAHYW
P
R
V
T
V
Y
VHNL
P
H
A
Y
L
L
D
A
G
LL
N
S
A
E
Y
A
R
L
L
KN
S
K
S
W
F
K
L
IEDGAYLQKGD
R
R
I
Q
VA
N
F
H
Q
V
W
Q
H
I
L
Q
DSRRGM
M
I
Q
R
Y
KGLGEM
N
A
E
Q
L
W
E
TTMDPENR
N
M
L
Q
V
TIDDAI
E
A
D
R
M
F
S
C
L
MGDD
V
E
P
R
R
A
F
I
E
ENALNADIDA
3
PsiBlast_PDB
86.09
74%
2
- C4 -
-
4WUD
1
GYRB_ECOLI
A:
[3-391]
-----------------
S
Y
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
85.51
74%
3
- C4 -
-
4XTJ
1
GYRB_ECOLI
A:
[3-391]
-----------------
S
Y
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.46
74%
5
- C4 -
-
4WUC
1
GYRB_ECOLI
A:
[3-391]
-----------------
S
Y
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
85.21
74%
7
- C4 -
-
4WUB
1
GYRB_ECOLI
A:
[3-391]
-----------------
S
Y
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
122
HHSearch
84.52
74%
12
- C4 -
-
1EI1
4
GYRB_ECOLI
B:
[2-389]
----------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
83.19
73%
11
- C4 -
-
1EI1
4
GYRB_ECOLI
B:
[9-391]
-----------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
83.15
73%
-5
- C4 -
-
4PRV
1
GYRB_ECOLI
A:
[16-392]
-----------------------
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
141
Fugue
83.11
72%
-5
- C4 -
-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
140
Fugue
83.11
72%
-5
- C4 -
-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
82.53
73%
6
- C4 -
-
1EI1
4
GYRB_ECOLI
A:
[9-391]
-----------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.18
73%
-5
- C4 -
-
4PRX
2
GYRB_ECOLI
A:
[16-383]
-----------------------
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
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
L
E
N
P
T
D
A
K
I
V
V
G
K
I
I
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
80.78
73%
-0
- C4 -
-
4PU9
1
GYRB_ECOLI
A:
[16-394]
-----------------------
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
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
80.71
73%
-1
- C4 -
-
4ZVI
1
GYRB_ECOLI
A:
[1-377]
------------------------------
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
--------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
124
HHSearch
75.76
48%
-7
- C4 -
-
3ZKB
2
GYRB_MYCTU
D:
[12-427]
-------------
K
A
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
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
R
V
T
QSTAPHK
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
75.57
44%
-22
- C4 -
-
3ZKD
2
GYRB_MYCTU
C:
[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
R
V
T
--------
Q
DE
R
A
A
E
S
T
APHK
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
113
HHSearch
75.54
61%
-105
- C2 -
-
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
E
Y
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
D
G
A
T
L
H
T
N
A
S
A
P
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
R
R
Y
P
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
E
Q
H
-
G
S
Q
W
--
K
F
D
V
H
T
N
A
E
Q
---
N
L
F
E
P
I
V
R
V
R
T
H
G
V
D
T
D
Y
P
L
D
H
E
F
I
T
G
G
E
Y
R
R
I
C
T
L
G
E
K
L
R
G
L
L
E
E
D
A
F
I
E
R
G
E
R
R
Q
P
V
A
S
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
--------------------
24
PsiBlast_CBE
74.90
44%
-24
- C4 -
-
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
R
V
T
--------
Q
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
123
HHSearch
74.52
48%
-0
- C4 -
-
3ZKB
-
GYRB_MYCTU
H:
[17-427]
------------------
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
R
V
-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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
74.52
44%
-11
- C4 -
-
3ZKB
2
GYRB_MYCTU
B:
[17-429]
------------------
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
R
-----------VK------------
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
A
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
74.08
44%
-6
- C4 -
-
3ZKB
2
GYRB_MYCTU
C:
[17-430]
------------------
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
R
V
----------A
P
H
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
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
A
R
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
132
HHSearch
70.85
45%
-7
- C4 -
-
1KIJ
3
GYRB_THET8
B:
[7-388]
----------------------
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
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
EA
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
128
HHSearch
69.49
39%
-12
- C4 -
-
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
TC
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
69.39
44%
-11
- C4 -
-
1KIJ
3
GYRB_THET8
A:
[7-369]
----------------------
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
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
PR
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
69.16
39%
5
- C4 -
-
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
KR
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
KPF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
69.12
39%
7
- C4 -
-
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
KR
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
68.83
44%
-13
- C4 -
-
1KIJ
3
GYRB_THET8
B:
[7-369]
----------------------
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
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
PR
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
58.56
81%
-51
- C4 -
-
3G7E
1
GYRB_ECOLI
A:
[1-195]
-----------------------------
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
N
S
G
V
S
I
R
L
R
D
K
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
56.61
78%
-47
- C4 -
-
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
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
--------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
56.22
78%
-62
- C4 -
-
4KFG
1
GYRB_ECOLI
A:
[2-206]
-----------------------------
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
-----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
56.00
78%
-65
- C4 -
-
4HYP
1
GYRB_ECOLI
C:
[2-205]
-----------------------------
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
-----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
55.95
78%
-46
- C4 -
-
5MMO
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
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
-------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
55.83
78%
-63
- C4 -
-
4HYP
1
GYRB_ECOLI
D:
[2-205]
-----------------------------
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
-----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
55.74
78%
-64
- C4 -
-
1AJ6
1
GYRB_ECOLI
A:
[11-216]
--------------------------
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
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-------
S
G
-------
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
H
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
54.77
78%
-63
- C4 -
-
4HYP
1
GYRB_ECOLI
A:
[2-205]
-----------------------------
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
-----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
54.73
78%
-63
- C4 -
-
5MMP
1
?
A:
[24-233]
-----------------------
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
--------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
54.38
78%
-54
- C4 -
-
4DUH
1
GYRB_ECOLI
A:
[15-217]
-----------------------------
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
---------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
54.31
78%
-52
- C4 -
-
4DUH
1
GYRB_ECOLI
B:
[12-217]
--------------------------
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
-------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
53.85
78%
-67
- C4 -
-
4HYP
1
GYRB_ECOLI
B:
[2-205]
-----------------------------
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
-----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
52.88
78%
-56
- C4 -
-
4KFG
1
GYRB_ECOLI
B:
[2-205]
-----------------------------
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
V
S
A
A
E
V
I
M
T
V
L
-------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
50.89
53%
-107
- C4 -
-
4BAE
1
GYRB_MYCS2 (first)
B:
[4-204]
-----------------------------
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
F
A
T
---
R
V
D
V
K
I
H
A
D
G
S
V
E
V
R
D
D
G
R
G
I
P
V
E
M
H
A
T
-
G
M
P
T
I
D
V
V
M
T
Q
L
-------------------------
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
T
V
L
R
D
G
Y
E
W
F
Q
Y
Y
D
R
--
S
V
-
P
G
-
K
L
K
Q
G
G
--
E
T
--
K
--
E
--
T
G
T
T
I
R
F
W
A
D
P
E
I
F
E
T
-
T
D
-
Y
N
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
E
L
T
D
E
R
D
G
--------
K
--------------
H
R
V
F
H
Y
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
49.68
54%
-49
- C4 -
-
4URM
1
?
A:
[25-231]
------------------------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
G
K
--------------------
G
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
48.50
54%
-51
- C4 -
-
4URM
1
?
B:
[25-231]
------------------------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
G
K
F
G
-------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
146
Fugue
48.35
64%
-4
* C4 *
-
1EI1
4
GYRB_ECOLI
A:
[1-219]
---------------
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
---HCK
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
-------NSYKVSG
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
48.22
54%
-54
- C4 -
-
4URM
2
?
C:
[25-231]
------------------------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
-----------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
47.47
54%
-52
- C4 -
-
4URO
1
GYRB_STAAU
C:
[25-230]
------------------------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
----------------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
47.40
54%
-54
- C4 -
-
4URO
1
GYRB_STAAU
A:
[26-231]
-------------------------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
--------------------------
G
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
46.92
54%
-48
- C4 -
-
4URO
1
GYRB_STAAU
B:
[26-231]
-------------------------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
---------------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
46.86
46%
-54
- C4 -
-
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
KR
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
46.80
46%
-50
- C4 -
-
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
KR
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
109
PsiBlast_CBE
46.44
46%
-42
- C4 -
-
5D7D
3
GYRB_STAAU
B:
[21-209]
-------------------------
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
------------------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
46.43
50%
-31
- C4 -
-
4MBC
1
?
A:
[17-225]
-------------------------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
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
LK
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
46.14
50%
-33
- C4 -
-
4MB9
1
?
A:
[17-225]
-------------------------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
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
LK
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
111
PsiBlast_CBE
46.09
46%
-46
- C4 -
-
5D7C
3
GYRB_STAAU
B:
[21-209]
-------------------------
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
---
G
R
P
A
V
E
V
I
L
T
------------------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
145
Fugue
45.87
66%
-73
- C4 -
-
1EI1
1
GYRB_ECOLI
A:
[220-391]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
45.87
54%
-49
- C4 -
-
4URM
1
?
D:
[26-231]
-------------------------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
-----------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
ENV-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
45.61
50%
-29
- C4 -
-
4MOT
1
?
A:
[17-225]
-------------------------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
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
LK
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
45.58
54%
-59
- C4 -
-
4URO
2
GYRB_STAAU
D:
[25-230]
------------------------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
------
P
A
V
E
V
I
L
T
V
---------------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
45.54
50%
-28
- C4 -
-
4EM7
1
?
A:
[17-225]
-------------------------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
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
LK
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
107
PsiBlast_CBE
45.29
46%
-43
- C4 -
-
5D7R
2
GYRB_STAAU
B:
[20-209]
-----------------------
I
-
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
---
G
R
P
A
V
E
V
I
L
T
------------------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
110
PsiBlast_CBE
45.08
46%
-47
- C4 -
-
5D7D
3
GYRB_STAAU
A:
[16-208]
-------------------
G
A
G
Q
I
-
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
------------------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
45.02
50%
-27
- C4 -
-
5BOD
1
?
A:
[17-225]
-------------------------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
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
-------------------------
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
LK
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
PsiBlast_CBE
44.18
46%
-46
- C4 -
-
5D7R
1
GYRB_STAAU
A:
[16-208]
-------------------
G
A
G
Q
I
-
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
E
-
R
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
---
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
------------------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
--
G
V
-
P
Q
F
D
L
K
E
V
G
--
T
T
--
D
--
K
--
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
E
T
T
V
-
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
D
E
E
N
V
-----
R
--------------
E
D
S
Y
H
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------