@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 : B0VRJ7: (2017-12-03 )
MLQKVLIANRGEIALRITRACKTLGIKTVGIYSDADKDLMHLRFVDEAVCIGPGASSDSYLNIPAIITAAEITGADAIHPGYGFLSENAEFAEIVESSGFTFIGPRPEHIRLMGNKVSAIVAMKKAGVPTVPGCDHAVTIHNALAEAKEIGFPLIVKAAAGGGGRGMRIVERVDTLLESVQAAQRDAEMWFGDDTVYMERFLQKPRHVEVQVLGDGNGHAIHLYDRDCSLQRRHQKVLEEAPAPNLPEQARADILQACVHACQLMQYRGAGTFEFLFEDGEFFFIEMNTRVQVEHPVTEMVTGVDIIEQQLRIAAGLGLELQQEDIEVRGHAIECRINAEDPTTFLPSPGKIESFYAPGGAGIRLDSHIYPGYSIPPYYDSMIAKLIAHGKDRETSLARMRQALDEMILTGIKTNIPLHKDLILQDKNFCSQAMDIHYLEKHLLKQVEEEKKAETA
Atome Classification :
(50 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....------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
--M
L
Q
K
V
L
IANR
G
E
I
A
L
R
I
T
R
A
C
K
TLG
I
K
T
V
G
I
YSDADKDL
M
H
L
R
FVDE
A
V
C
IGPGASSD
S
Y
LNI
P
A
I
I
T
A
A
EITGADAIHPGYGFLSEN
A
E
F
A
E
I
V
E
SSG
F
T
F
IGPRPE
H
I
R
LMGNKV
S
A
I
V
A
MKKAGVPTVPGC--D--H
A
V
--
T
-
I
H
N
A
L
A
E
----
A
K
EIGF
P
L
I
V
K
A
AAGGGGR
G
M
R
I
V
E
R
V
D
T
L
L
E
S
V
Q
A
A
Q
RD
A
E
MWFGD
D
T
V
Y
M
E
R
F
LQKP
R
H
V
E
V
Q
V
L
GDGNG
H
A
I
H
L
YDRDC
S
L
Q
R
R
H
Q
K
V
L
E
EAPAPNL
P
E
Q
A
R
A
D
I
L
Q
A
C
V
H
A
C
Q
L
M
Q
Y
RGA
G
T
F
E
F
L
F--E--D--G
E
F
F
F
I
EMN
T
R
V
Q
V
EH
P
V
T
E
M
V
T
G
V
D
I
I
E
Q
Q
L
R
I
AAGLG
L
E
L
QQED
I
E
VRG
H
A
I
E
C
R
I
NAEDP-TT-FLPSPGKI
E
S
F
YAPGGA
G
I
R
LDSHIYPGYSIP
P
Y
Y
D
S
M
I
A
K
L
I
AHGKDR
E
T
S
L
A
R
M
R
Q
A
L
D
E
M
I
L
T
GIKTNIPLH
K
D
L
I
----LQ
D
K
N
F
C
S
Q
A
M
D
I
H
Y
L
E
K
H
L
L
K
Q
V
E
E
E
KKAETA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
80.75
64%
-21
- C1 -
-
2W6N
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
80.64
64%
-21
- C1 -
-
2W71
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
80.27
64%
-19
- C1 -
-
2V58
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
80.12
63%
-20
- C1 -
-
3G8D
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
A
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
79.95
64%
-18
- C1 -
-
2W6Q
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
79.94
64%
-20
- C1 -
-
2W6Q
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
79.92
64%
-19
- C1 -
-
3JZI
1
ACCC_ECOLI
B:
[22-465]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
79.87
64%
-20
- C1 -
-
2W71
1
ACCC_ECOLI
C:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
79.87
64%
-20
- C1 -
-
2V5A
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
79.78
64%
-22
- C1 -
-
3RV3
2
ACCC_ECOLI
A:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
79.66
64%
-19
- C1 -
-
2W6M
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
79.56
64%
-19
- C1 -
-
2W6Z
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
79.54
64%
-21
- C1 -
-
2W70
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
79.47
64%
-17
- C1 -
-
2V59
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
79.45
64%
-18
- C1 -
-
3G8C
2
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
79.43
64%
-21
- C1 -
-
2V58
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
79.42
64%
-20
- C1 -
-
2W6M
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
79.36
64%
-20
- C1 -
-
3RUP
2
ACCC_ECOLI
B:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
79.32
64%
-18
- C1 -
-
2W6N
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
79.29
63%
-18
* C1 *
-
3RV4
3
ACCC_ECOLI
A:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
E
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
132
HHSearch
79.18
64%
-17
- C1 -
-
3G8C
2
ACCC_ECOLI
B:
[1-443]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
-----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
79.12
64%
-18
- C1 -
-
2W6O
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
79.05
64%
-20
- C1 -
-
2V59
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
79.04
64%
-22
- C1 -
-
3RV3
2
ACCC_ECOLI
B:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
78.94
64%
-19
- C1 -
-
3G8C
2
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
78.92
64%
-20
- C1 -
-
3RUP
2
ACCC_ECOLI
A:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
78.91
64%
-19
- C1 -
-
2W6O
1
ACCC_ECOLI
C:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
78.90
64%
-19
- C1 -
-
2W6P
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
78.88
64%
-19
- C1 -
-
2W70
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
78.88
64%
-11
- C1 -
-
2VQD
1
ACCC_PSEAE
A:
[1-444]
--
M
L
E
K
V
L
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
E
L
M
H
L
S
L
A
D
E
S
V
C
I
G
P
A
P
A
T
Q
S
Y
L
Q
I
P
A
I
I
A
A
A
E
V
T
G
A
T
A
I
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
Q
I
E
R
S
G
F
T
F
V
G
P
T
A
E
V
I
R
L
M
G
D
K
V
S
A
K
D
A
M
K
R
A
G
V
P
T
V
P
G
S
--
D
--
G
P
L
PE
D
-
E
E
T
A
L
A
I
----
A
R
E
V
G
Y
P
V
I
I
K
A
A
G
G
G
G
G
R
G
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
A
A
F
G
N
P
M
V
Y
L
E
K
F
L
T
N
P
R
H
V
E
V
Q
V
L
S
D
G
Q
G
N
A
I
H
L
G
D
R
D
C
S
L
Q
R
R
H
Q
K
V
I
E
E
A
P
A
P
G
I
D
E
K
A
R
Q
E
V
F
A
R
C
V
Q
A
C
I
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
R
F
Y
F
I
E
M
N
T
R
V
Q
V
E
H
P
V
S
E
M
V
T
G
V
D
I
V
K
E
M
L
R
I
A
S
G
E
K
L
S
I
R
Q
E
D
V
V
I
R
G
H
A
L
E
C
R
I
N
A
E
D
P
-
K
T
-
F
M
P
S
P
G
K
V
K
H
F
H
A
P
G
G
N
G
V
R
V
D
S
H
L
Y
S
G
Y
S
V
P
P
N
Y
D
S
L
V
G
K
V
I
T
Y
G
A
D
R
D
E
A
L
A
R
M
R
N
A
L
D
E
L
I
V
D
G
I
K
T
N
T
E
L
H
K
D
L
V
-----
R
D
A
A
F
C
K
G
G
V
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
78.79
64%
-22
- C1 -
-
3JZI
1
ACCC_ECOLI
A:
[22-465]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
78.76
64%
-18
- C1 -
-
3JZF
1
ACCC_ECOLI
B:
[22-465]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
78.63
63%
-15
- C1 -
-
1DV2
1
ACCC_ECOLI
B:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
78.59
63%
-21
- C1 -
-
1DV2
1
ACCC_ECOLI
A:
[4-447]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
GD
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
78.27
64%
-20
- C1 -
-
2VR1
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
--
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
133
HHSearch
77.38
65%
-18
- C1 -
-
4MV4
3
ACCC_HAEIN
A:
[21-465]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
V
SN
D
-
I
A
K
N
K
E
I
----
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
G
G
---
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
-----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
77.26
64%
-22
- C1 -
-
2J9G
1
ACCC_ECOLI
A:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
--
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
76.84
64%
-23
- C1 -
-
2J9G
1
ACCC_ECOLI
B:
[1-444]
--
M
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
G
P
A
P
S
V
K
S
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
L
G
D
D
-
M
D
K
N
R
A
I
----
A
K
R
I
G
Y
P
V
I
I
K
A
S
G
G
G
G
G
R
--
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
---
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
A
G
Q
P
L
S
I
K
Q
E
E
V
H
V
R
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
-
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
G
F
G
V
R
W
E
S
H
I
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
-
Q
I
R
I
----
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.83
64%
-19
- C1 -
-
4MV4
3
ACCC_HAEIN
A:
[21-464]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
V
--
S
---
N
D
I
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
G
G
---
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
-
E
L
I
----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
75.79
64%
-20
- C1 -
-
4MV1
3
ACCC_HAEIN
A:
[21-464]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
V
--
S
---
N
D
I
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
--------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
-
E
L
I
----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
75.19
64%
-18
- C1 -
-
4MV8
1
ACCC_HAEIN
A:
[21-464]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
V
--
S
---
N
D
I
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
G
-----
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
----------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
-
E
L
I
----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
74.35
64%
-23
- C1 -
-
4MV3
2
ACCC_HAEIN
A:
[21-464]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
V
--
S
---
N
D
I
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
-
E
L
I
----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
134
HHSearch
72.75
52%
-18
- C1 -
-
3OUU
4
?
A:
[5-446]
--
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
K
A
R
S
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
V
I
P
G
S
--
D
GA
L
A
---
G
-
A
E
A
A
K
K
L
----
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
--
D
--
K
N-
L
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
G
Y
A
L
P
S
Q
E
S
-
I
K
L
N
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
-
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
R
N
V
R
M
E
S
H
C
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
-----
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
A
R
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
72.70
64%
-21
- C1 -
-
4RZQ
2
ACCC_HAEIN
A:
[21-464]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
G
P
A
P
S
A
K
S
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
C
V
P
G
S
--
D
--
G
P
----------
A
K
N
K
E
I
A
K
R
I
G
Y
P
I
I
I
K
----------
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
----------
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
--
E
--
N
--
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
A
G
L
P
I
S
F
K
Q
E
D
I
K
V
K
G
H
A
M
E
C
R
I
N
A
E
D
P
-
K
T
-
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
L
G
V
R
W
D
S
H
V
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
-
E
L
I
----
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
E
K
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
135
HHSearch
72.49
52%
-18
- C1 -
-
3OUZ
13
?
A:
[5-446]
--
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
G
K
A
R
S
S
E
S
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
V
I
P
G
S
--
D
GA
L
A
---
G
-
A
E
A
A
K
K
L
----
A
K
E
I
G
Y
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
L
L
D
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
--
D
--
K
N-
L
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
E
G
Y
A
L
P
S
Q
E
S
-
I
K
L
N
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
-
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
R
N
V
R
M
E
S
H
C
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
-----
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
A
R
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
70.82
50%
-28
- C1 -
-
2VPQ
1
?
B:
[2-444]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
V
P
G
S
--
D
--
G
L
M
--
K
D
V
S
E
A
K
K
I
----
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
--
D
LN
D
--
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
Y
K
Q
E
D
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
-
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
----
N
N
D
I
-
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
69.68
50%
-27
- C1 -
-
2VPQ
1
?
A:
[2-444]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
V
P
G
S
--
D
--
G
L
M
--
K
D
V
S
E
A
K
K
I
----
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
--
D
LN
D
--
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
Y
K
Q
E
D
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
-
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
----
N
N
D
I
-
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
128
HHSearch
68.82
50%
-9
- C1 -
-
2VPQ
1
?
B:
[2-446]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
G
P
T
L
S
K
D
S
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
V
V
P
G
S
DG
L
--
M
K
---
D
-
V
S
E
A
K
K
I
----
A
K
K
I
G
Y
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
I
L
D
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
--
D
--
L
ND
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
P
Y
K
Q
E
D
I
K
L
T
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
-
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
Y
G
V
R
I
E
S
A
C
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
-----
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
E
Q
N
S
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
58.86
45%
-61
- C1 -
-
3VA7
5
?
A:
[31-454]
---
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
G
R
T
A
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
L
V
P
----------------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
--
D
--
E
QR
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
N
D
S
P
D
F
D
N
T
K
I
E
V
S
G
A
S
I
E
A
R
L
Y
A
E
N
P
-
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
S
W
A
--
R
V
D
T
W
V
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
Fugue
51.28
40%
27
- C1 -
-
3VA7
9
?
A:
[28-1236]
KK
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
H
G
R
T
A
A
E
T
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
-----------------------------------------------------------------
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
--------------
K
H
S
A
R
E
I
A
E
R
A
K
V
P
---
L
V
P
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
N
L
P
E
A
T
R
A
K
M
R
A
A
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E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
DE
Q
--
R
--
D
E
F
Y
F
L
E
V
N
A
R
L
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I
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V
T
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L
D
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A
A
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D
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D
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T
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I
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A
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A
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P
-
V
K
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F
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A
--
R
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A
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C
A
F
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L
A
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A
N
T
S
V
Q
D
Y
PGRTGYWRIGVPPSGPMD
S
Y
S
F
R
L
A
N
R
V
V
GNNSK
S
P
A
L
E
I
T
L
N
G
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K
L
L
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I
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G
T
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A
Q
I
A
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L
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V
G
K
VTVGC
R
A
Y
L
S
I
RG
G
I
D
V
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Y
LGSRSTFAMGNMGGYNGRILKLG
D
V
L
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L
N
QPELSVSSLPAPDFEPQAAPKSL
L
P
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L
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TNK
D
W
K
I
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V
T
C
GPHGSIDLFK
E
E
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I
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Q
F
F
N
D
K
W
K
V
H
YNSNRF
G
V
R
L
I
G
P
K
P
K
W
ARSDGGEAGLHPSNAH
D
Y
V
Y
S
LGAINFTGD
E
P
V
I
I
T
CDGPSLGGFVCQAVVAEAE
L
W
K
V
G
Q
LTPG
D
T
I
Q
F
V
P
L
S
Y
G
V
A
R
Q
L
K
E
S
Q
D
K
S
I
D
NFEEGSLLELSDDKILPKYENPIL
A
V
L
P
KKSDLS
P
K
V
T
Y
R
Q
A
G
DR
Y
I
L
V
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Y
G
ELEFD
L
N
I
C
Y
R
I
N
R
L
I
H
Q
V
E
R
H
QTVGIV
E
M
S
Q
G
VR
S
V
L
I
E
F
D
GSKIN
Q
K
A
L
L
K
C
L
I
A
Y
E
S
E
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F
D
KN
W
N
V
K
S
K
I
F
K
L
P
M
A
F
ED
S
K
T
L
D
C
V
T
R
Y
R
E
TIRSEAPWLPN
N
V
D
F
I
A
D
V
N
DID
R
N
D
V
K
N
M
L
Y
S
A
K
F
M
V
LGLGDVFLGSPCAVPLDPRH
R
Y
L
G
T
K
Y
NPSRTYTARG
V
V
G
I
G
GM
Y
M
C
I
YNAEGSPGGYQLV
G
R
T
I
TAWDKLVIGDHPIDHPWLLTPF
D
Q
V
E
F
Y
P
V
T
E
E
E
L
E
V
I
I
E
D
N
D
N
GKFKID
V
E
E
S
I
F
D
H
K
E
Y
L
A
W
I
N
E
N
I
D
S
I
V
A
F
Q
E
A
QGG
E
K
A
D
E
F
A
R
L
I
Q
VANAELKKSEEYPDDAE
L
L
Y
S
E
Y
T
G
R
FWKPVAAVG
D
H
V
E
AGDGVIIIEAMKTE
M
V
V
G
A
T
K
S
G
K
VYKILHKNG
D
M
V
E
AGDLVAVIV