@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : Rv1633: (2016-05-03 )
MRAGGHFEVVSPHAPAGDQPAAIDELERRINAGERDVVLLGATGTGKSATTAWLIERLQRPTLVMAPNKTLAAQLANELREMLPHNAVEYFVSYYDYYQPEAYIAQTDTYIEKDSSINDDVERLRHSATSALLSRRDVVVVASVSCIYGLGTPQSYLDRSVELKVGEEVPRDGLLRLLVDVQYTRNDMSFTRGSFRVRGDTVEIIPSYEELAVRIEFFGDEIEALYYLHPLTGEVIRQVDSLRIFPATHYVAGPERMAHAVSAIEEELAERLAELESQGKLLEAQRLRMRTNYDIEMMRQVGFCSGIENYSRHIDGRGPGTPPATLLDYFPEDFLLVIDESHVTVPQIGGMYEGDISRKRNLVEYGFRLPSACDNRPLTWEEFADRIGQTVYLSATPGPYELSQTGGEFVEQVIRPTGLVDPKVVVKPTKGQIDDLIGEIRTRADADQRVLVTTLTKKMAEDLTDYLLEMGIRVRYLHSEVDTLRRVELLRQLRLGDYDVLVGINLLREGLDLPEVSLVAILDADKEGFLRSSRSLIQTIGRAARNVSGEVHMYADKITDSMREAIDETERRRAKQIAYNEANGIDPQPLRKKIADILDQVYREADDTAVVEVGGSGRNASRGRRAQGEPGRAVSAGVFEGRDTSAMPRAELADLIKDLTAQMMAAARDLQFELAARFRDEIADLKRELRGMDAAGLK
Atome Classification :
(20 SA)
.........10........20........30........40.-.......50........-60--........70........80........90........100.......110..-.....120.......130.......140....-...150......-.160.......170.......180.......190.......200....-..-.210.......220.....-..230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370........380......--.--390..--.....--400.......410.......420....-...430.......440......-.450.......460.......470.....--..480.......490.......500.......510.......520-----.........530.......540...-....550.......560.......570...--....580.......590.......600.......610--.......620.......630.......640.......650.......660.......670.......680.......690......----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MRAGGH
F
E
V
VSPHAPAGDQP
A
A
I
D
E
L
E
R
R
INAGER
D
V
V
L
L
GA-TGTGK
S
A
T
T
A
W
L
I
E
RLQ-RP--
T
L
V
MAP
N
K
T
L
A
A
Q
L
A
N
E
L
R
E
MLP
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
YQPE
A
Y
I
AQT
D
T
Y
IEKD-SSI
N
D
D
V
E
R
L
R
H
S
A
T
S
A
L
L
SRR
D
V
V
V
V
A
S
V
S
C
-
I
YGLGT
P
Q
S
Y
LD-RS
V
E
L
K
VGEEV
P
R
D
G
L
L
R
L
L
V
D
V
Q
Y
TRNDMSFTRG
S
F
R
VRG
D
T
V
E
IIP-
S
Y
-
E
E
L
A
V
R
I
E
F
FGDE
I
E
A
L
Y
Y
-LHPL
T
G
E
V
I
R
Q
V
DS
L
R
I
F
PATHYVA
G
P
E
R
M
A
H
A
V
S
A
I
E
E
E
L
A
E
R
L
A
E
L
E
SQG
K
L
L
E
A
Q
R
L
R
MRTNY
D
I
E
M
M
R
QVGFCS
G
I
E
N
Y
S
R
HIDGRGPGT
P
P
A
T
L
L
D
YFPE
D
F
L
L
V
I
DESHVTVPQIGGMYEG
D
I
S
RK
R
N
L
V
E
Y
GFRLPS-ACDNRPL
T
W
E
E
F
A
D
RIG--
Q
--
T
V
Y
L
S--ATPGP--
Y
E
L
S
QT
G
G
E
F
V
E
Q
V
I
RPTGLVDP
K
V
V
V
-KPTKG
Q
I
D
D
L
I
G
E
I
R
TRADAD
Q
-
R
V
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
L
EMG
I
R
V
R
Y
L
--
H
S
E
V
D
T
L
R
R
V
E
L
L
R
Q
LRLGD
Y
D
V
L
V
G
I
N
L
L
REGLDLPE
V
S
L
V
A
-------
I
LDADK
E
G
F
L
R
S
S
R
S
L
I
Q
T
I
G
R
A
A
R-NVSG
E
V
H
M
Y
A
D
K
I
T
D
S
M
R
E
A
I
D
E
T
E
R
R
R
A
K
--
Q
IAYNEANGI
D
P
Q
P
L
R
K
K
I
A
D
I
L
D
Q
V
Y
R
EADD
T
A
V
V
E
--VGGSGRNASRGRRAQGEPG
R
A
V
SAGVFEGRDTSAM
P
R
A
E
L
A
D
L
I
K
D
L
T
A
Q
M
M
A
A
A
R
D
L
Q
F
E
L
A
A
R
F
R
D
E
I
A
D
L
K
R
E
L
RGMDAAGLK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
89.19
59%
-95
- C2 -
2D7D
2
UVRB_BACSU
A:
[3-654]
----
D
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
-
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
M
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
-
A
S
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
--
N
--
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
-
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
--
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------------------------------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
88.93
60%
-98
- C2 -
1T5L
2
UVRB_BACCA
B:
[3-595]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
A
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
88.40
57%
-97
- C2 -
2D7D
2
UVRB_BACSU
A:
[5-654]
------
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
-
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
M
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
--
N
--
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
-
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
--
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------------------------------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
87.73
60%
-97
- C2 -
1T5L
2
UVRB_BACCA
A:
[3-595]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
A
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
86.75
60%
-96
- C2 -
3UWX
-
?
B:
[28-620]
----
G
R
F
Q
L
V
S
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
L
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
H
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
I
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
H
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
86.73
57%
-97
- C2 -
2NMV
3
?
A:
[5-654]
------
F
E
L
V
-
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
-
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
M
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
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C
V
R
V
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F
F
G
D
E
I
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I
R
E
-
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
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F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
--
N
--
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
-
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
--
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------------------------------------------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
85.15
60%
-97
- C2 -
2FDC
2
UVRB_BACCA
B:
[3-593]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
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D
E
I
E
R
I
R
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-
V
D
A
L
T
G
E
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L
G
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A
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F
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M
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L
A
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Q
N
I
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E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
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A
Q
R
L
E
Q
R
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Y
D
L
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M
M
R
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M
G
F
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G
I
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N
Y
S
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H
L
A
L
R
P
P
G
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Y
T
L
L
D
Y
F
P
D
D
F
L
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T
L
P
Q
L
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M
Y
N
G
D
R
A
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K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
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Q
I
I
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P
T
G
L
L
D
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D
V
-
R
P
T
K
G
Q
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D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
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D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
--------
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
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G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
Fugue
85.14
65%
-85
- C2 -
1D9X
2
UVRB_BACCA
A:
[2-595]
---
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
-
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
A
--
E
-
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
Y
E
L
E
H
S
P
---
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
N
A
-
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
83.47
57%
-99
- C2 -
3V4R
2
UVRB_BACSU
A:
[11-596]
------
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
-
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
M
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
--
R
-
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
--
N
--
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
-
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
--
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
83.11
60%
-86
- C2 -
1D9X
2
UVRB_BACCA
A:
[3-595]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
---
A
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
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S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.08
60%
-83
- C2 -
1D9Z
4
UVRB_BACCA
A:
[3-594]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
R
E
-
V
D
A
L
T
G
K
V
L
G
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E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
83.00
57%
-98
- C2 -
3V4R
2
?
B:
[11-595]
------
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
K
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
-
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
M
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
-
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
-
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
--------
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
M
H
--
N
--
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
-
R
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
--
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
Fugue
82.47
60%
-90
- C2 -
1D2M
4
UVRB_THET8
A:
[2-583]
-----
T
F
R
Y
-
R
G
P
S
P
K
G
D
Q
P
K
A
I
A
G
L
V
E
A
L
R
D
G
E
R
F
V
T
L
L
G
A
-
T
G
T
G
K
T
V
T
M
A
K
V
I
E
A
L
G
-
R
P
--
A
L
V
L
A
P
N
K
I
L
A
A
Q
L
A
A
E
F
R
E
L
F
P
E
N
A
V
E
Y
F
I
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
G
K
D
L
Y
I
E
K
D
-
A
S
I
N
P
E
I
E
R
L
R
H
S
T
T
R
S
L
L
T
R
R
D
V
I
V
V
A
S
V
S
A
-
I
Y
G
L
G
D
P
R
E
Y
R
A
--------
R
N
L
V
V
R
E
V
L
L
E
R
L
L
E
L
G
Y
Q
R
N
D
I
D
L
S
P
G
R
F
R
A
K
G
E
V
L
E
I
F
P
-
A
Y
-
E
T
E
P
I
R
V
E
L
------------------------
G
F
V
L
F
P
A
T
H
Y
L
-
S
P
E
G
L
E
E
I
L
K
E
I
E
K
E
L
W
E
R
V
R
Y
F
E
E
R
G
E
V
L
Y
A
Q
R
L
K
E
R
T
L
Y
D
L
E
M
L
R
V
M
G
T
C
P
G
V
E
N
Y
A
R
Y
F
T
G
K
A
P
G
E
P
P
Y
T
L
L
D
Y
F
P
E
D
F
L
V
F
L
D
E
S
H
V
T
V
P
Q
L
Q
G
M
Y
R
G
D
Y
A
R
K
K
T
L
V
D
Y
G
F
R
L
P
S
-
A
L
D
N
R
P
L
R
F
E
E
F
L
E
R
V
S
--
Q
--
V
V
F
V
S
--
A
T
P
G
P
--
F
E
L
A
H
S
G
-
R
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
V
R
V
-
K
P
T
E
N
Q
I
L
D
L
M
E
G
I
R
E
R
A
A
R
G
E
-
R
T
L
V
T
V
L
T
V
R
M
A
E
E
L
T
S
F
L
V
E
H
G
I
R
A
R
Y
L
--
H
H
E
L
D
A
F
K
R
Q
A
L
I
R
D
L
R
L
G
H
Y
D
C
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
R
G
E
V
W
L
Y
A
D
R
V
S
E
A
M
Q
R
A
I
E
E
T
N
R
R
R
A
L
--
Q
E
A
Y
N
L
E
H
G
I
T
P
E
T
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
75.91
60%
-88
- C2 -
2FDC
1
UVRB_BACCA
A:
[3-594]
----
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
-------------------------------------------------------------------------------------
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
-
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
-
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
--
H
------
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
-------
I
L
D
A
D
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
--
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
Fugue
65.50
60%
-81
- C2 -
1D9X
1
UVRB_BACCA
A:
[2-414]
---
E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
V
K
H
Q
T
L
L
G
A
-
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
---KP
T
L
V
I
A
H
N
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
N
A
V
E
Y
F
V
S
Y
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
-
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
C
-
I
Y
G
L
G
S
P
E
E
Y
R
E
-
L
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
-
A
S
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
A
E
V
D
---
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
C
S
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
H
G
F
R
L
P
S
-
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
I
N
--
Q
--
I
I
Y
V
S
--
A
T
P
-
G
--
P
Y
E
L
E
H
S
P
------
G
V
V
E
Q
I
I
R
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
Fugue
50.38
17%
-68
- C2 -
3HJH
1
MFD_ECOLI
A:
[5-450]
------------------------
Y
R
Y
T
L
P
V
K
A
G
E
Q
R
L
L
G
E
L
-
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
-----
V
M
N
L
A
D
W
E
T
L
P
Y
---------
D
S
-
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
-
L
M
Q
R
V
C
P
H
S
F
L
H
G
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
-
M
G
-
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
-
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
----
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
-------------
A
G
I
E
Y
W
Q
P
L
F
----
F
S
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
---
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
P
L
L
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
--
N
--
W
P
R
V
Q
--
L
K
T
E
H
----
L
P
T
K
A
A
N
A
N
L
G
F
Q
K
L
P
D
L
---------
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
D
G
P
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
--
M
R
L
D
E
------------
A
S
D
R
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
-------
I
C
E
S
D
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
HHSearch
49.52
19%
-67
- C2 -
3HJH
1
MFD_ECOLI
A:
[13-450]
--------------------------------
A
G
E
Q
R
L
L
G
E
L
-
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
-
H
A
G
P
--
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
-
Q
M
V
M
N
-------------
L
A
D
W
E
T
L
P
Y
D
S
-
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
-
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
-
M
G
-
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
-
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
K
-----------------
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
A
G
I
E
Y
W
Q
P
L
F
F
S
E
----
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
-
L
-
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
P
L
L
-
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
N
W
P
--
R
V
Q
L
K
TE
H
L
P
T
K
--
A
-------
A
N
A
N
L
G
F
Q
K
L
----
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
---
D
G
-
P
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
--
M
R
L
----------
D
E
A
S
D
R
--
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
-------
I
C
E
S
D
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
48.24
19%
-65
- C2 -
2EYQ
1
MFD_ECOLI
A:
[17-456]
---------------------------------
G
E
Q
R
L
L
G
E
L
-
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
-
Q
M
V
M
N
-------------
L
A
D
W
E
T
L
P
Y
D
S
-
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
-
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
-
M
G
-
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
-
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
-----------------
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
A
G
I
E
Y
W
Q
P
L
F
F
S
E
----
P
L
P
P
L
F
S
Y
F
P
A
N
T
-
L
L
-
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
P
L
L
-
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
N
W
P
--
R
V
Q
L
K
--
T
E
H
L
P
--
T
K
-----
A
A
N
A
N
L
G
F
Q
K
L
----
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
---
D
G
-
P
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
--
M
R
L
----------
D
E
A
S
D
R
--
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
-------
I
C
E
S
D
L
L
G
E
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
46.56
19%
-42
- C2 -
2EYQ
5
MFD_ECOLI
A:
[5-1150]
---
P
E
Q
Y
R
Y
T
L
P
-----------------
V
K
A
G
E
Q
R
--
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
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A
P
D
M
Q
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
V
M
N
--------------
L
A
D
W
E
T
L
P
Y
D
S
-
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
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G
V
L
I
V
P
V
N
T
-
L
M
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P
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L
H
G
H
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K
G
Q
R
L
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A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
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H
G
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Y
A
T
R
G
A
L
L
D
L
F
P
-
M
G
-
S
E
L
P
Y
R
L
D
F
F
D
D
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I
D
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L
R
V
-
F
D
V
D
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Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
-----------------
H
E
F
P
T
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K
A
A
I
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L
F
R
S
Q
W
R
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Y
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Q
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K
G
T
L
P
A
G
I
E
Y
W
Q
P
L
F
----
F
S
E
P
L
P
P
L
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A
N
T
L
L
V
N
T
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--
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P
P
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L
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L
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L
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--
N
W
P
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Q
L
K
--
T
E
H
L
P
--
T
K
A
A
N
A
N
L
G
F
Q
K
--------
L
P
D
L
A
V
Q
-
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
---
D
G
-
P
V
V
F
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V
E
S
E
G
R
R
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A
L
G
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L
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I
A
P
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R
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MR
L
D
E
A
S
D
R
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
------------
T
V
R
N
L
A
L
I
C
-------
E
S
D
L
L
G
E
R
V
A
R
R
R
Q
D
S
R
R
T
I
N
-------
P
D
T
L
I
R
N
L
A
E
L
H
I
G
Q
P
V
V
H
L
E
H
G
V
G
R
Y
A
--
G
M
T
T
L
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A
G
G
I
T
G
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Y
L
M
L
T
Y
A
N
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-
A
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V
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S
L
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L
I
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Y
A
G
G
A
E
E
N
A
P
L
H
K
L
---------------
G
G
D
A
W
S
R
A
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A
A
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K
V
R
D
V
A
A
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A
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N
A
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L
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M
C
QP
L
A
M
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L
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VGFGKT
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A
A
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Q
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A
V
L
V
PT
T
L
L
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Q
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F
R
D
R
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A
NWP
V
R
I
E
M
I
SRFRS
A
K
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Q
T
Q
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L
A
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A
E
GKID
I
L
I
G
T
H
K
L
L
Q
S
DVKFKDLG
L
L
I
V
D
EEHRFG
V
R
H
K
E
R
I
K
A
M
R
AN
V
D
I
L
T
L
T
ATPIP
R
T
L
N
M
A
M
SGM
R
D
L
S
I
IATPPARR
L
A
V
K
T
F
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YD
S
M
V
V
R
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A
I
L
R
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I
L
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G
G
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V
Y
Y
L
Y
NDVEN
I
Q
K
A
A
E
R
L
A
E
L
V
PE
A
R
I
A
I
G
H
G
QMR
E
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L
E
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M
N
D
F
H
H
QRFN
V
L
V
C
TTIIETGIDIPTAN
T
I
I
I
ERADHFG
L
A
Q
L
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Q
L
R
G
R
V
G
R
S
H
H
Q
A
Y
A
W
LLTPHPKAMT
T
D
A
Q
K
R
L
E
A
I
A
S
LEDLGA
G
F
A
L
A
T
H
D
L
E
I
R
G
A
G
E
L
L
G
E
E
Q
S
G
S
M
E
T
IG
F
S
L
Y
M
E
L
L
E
N
A
V
D
A
L
K
A
GREPSLEDLTSQQ
T
E
V
E
LR
M
P
S
L
L
P
DDFIPD
V
N
T
R
L
S
F
Y
K
R
I
A
S
AKT
E
N
E
L
E
E
I
K
V
E
L
I
D
R
FGLLP
D
P
A
R
T
L
L
D
I
A
R
L
R
Q
Q
A
Q
K
L
GIR
K
L
E
G
N
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G
G
V
I
E
F
A
EKNHVN
P
A
W
L
I
G
L
L
Q
KQPQH
Y
R
L
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G
PT
R
L
K
F
I
Q
DLSE
R
K
T
R
I
E
W
V
R
Q
F
M
R
E
L
E
E
N
AI
42
Fugue
42.04
60%
-48
- C2 -
1D9X
1
UVRB_BACCA
A:
[415-595]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
G
L
L
D
P
T
I
D
V
R
-
P
T
K
--------------
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
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E
A
G
I
K
V
A
Y
L
--
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
DADKE-------
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
N
A
-
N
G
H
V
I
M
Y
A
-
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
-
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------