@TOME V2.3
(Mar 2018)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : B0VNX6: (2017-11-18 )
MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQAFSSGSTLLTLPLPSIQAECSVPLSYVSRVGRHRLAALPKMCIDGQWQKFSAGTIVSLLLEELVIESQFKLDAASLLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQNYIAEGCATEQPISDQVKDAIRWCLSESDLNLLKTHVEFKLLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNAPWMVKTSLSVMITNSIRVNLAKECHRGEISYRLWHSDLGKKILKQCPTLKAVNDPAWIALQIDGEIINETICIFRDQPFAVQQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALDWFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDNQGFHYIEEFATEIVEALPDLLEKAHAVGPKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLLEQYPDSTLLQGLLFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA
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..
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
---------
M
Q
E
L
A
N
R
L
A
I
Q
N
F
V
N
A
Y
M
Q
ETGK
G
Y
L
L
S
FDQQS
S
T
Q
Q
---------
A
FSSG
S
---------
T
L
L
T
L
PL-PSIQAECSV
P
L
S
Y
--
V
S
R
VG
R
H
R
L
A
AL
P
K
M
C-I-DGQWQKFS
A
G
T
I
V
S
L
L
L
E
E
L
V
I
E
S
-QFKL
D
A
A
S
---
L
L
E
K
W
I
Q
S
--
R
D
A
L
L
Q
F
L
K
Q
RHN
D
F
D
D
L
V
K
A
G
Q
N
F
I
E
SE
Q
A
L
I
LGHSMHPAPKSRNGF
V
H
E
D
W
L
KFSPEHAGK
T
Q
L
H
Y
W
L
V
HQ
N
----
Y
I
AEGCAT---E---Q--
P
-
I
S
D
-
Q
V
K
D
A
I
R
W
C
LSES
D
L
N
L
L
K
T
H
V
--------
E
F
K
-
L
LPLHPWQARYLQG
K
P
W
F
E
Q
L
K
-------QTG
Q
L
I
D
I
GLRGWQFSPTTP
I
R
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L
ASFNA--
P
--
W
--
M
V
K
T
S
L
S
V
M
I
TN
S
I
R
---------
V
N
L
A
K
E
C
HRGE
I
S
Y
R
L
W
------
H
S
D
-
L
G
-------
K
K
I
L
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-QCPTLKAVNDP
A
W
I
A
--
L
------
Q
-ID---------G-------E-IIN
E
T
I
-
C
I
----FR-----DQ
P
F
---
A
---
V
----
Q
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--
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-----
C
I
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L
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DH---P
N
K
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-
N
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N
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L
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D
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KNQQT
N
F
K
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A
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------
D
------
W
F
D
H
F
L
K
I
G
L
A
P
L
M
Y
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Y
H
K
YGM
A
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ESHQQ
N
V
L
L
E
LEDGFPKN
L
W
LRD-N-Q
G
F
-
H
Y
I
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E
F
A
T
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-
V
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L
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----------
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P
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F
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--
R
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Y
Y
FF
G
N
T
L
F
G
L
I
N
A
IGATGYI
S
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D
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L
L
I
H
L
Q
Q
N
L
L
Q
L
L
--
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QY--P
D
-
S
T
L
L
Q
G
L
--LFNDSLPYK
G
N
L
L
T
R
L
H
E
L
D
E
L
IAPLEH
Q
S
V
Y
V
QLPN
P
L
Y
V
EQKDVSYA
21
Fugue
86.55
26%
-56
- C4 -
-
5JM8
1
?
A:
[11-574]
-------------
T
L
D
V
A
A
Q
C
F
L
N
S
L
V
R
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T
K
D
W
R
L
T
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Y
Q
---------------------
P
---------
T
Q
L
I
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P
L
-
G
E
-
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Q
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---
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R
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H
A
H
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A
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D
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H
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----
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I
A
G
E
S
L
H
---
L
----------
N
-
L
Q
Q
R
L
T
R
F
A
A
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N
A
P
Q
L
L
N
E
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D
--------
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Q
W
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F
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L
H
P
W
Q
G
E
Y
L
L
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Q
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W
C
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-------
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D
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A
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T
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S
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Y
C
A
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--
R
--
D
--
M
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K
F
S
L
S
V
R
L
T
N
S
V
R
---------
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L
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V
K
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V
K
R
G
M
R
L
A
R
L
A
------
Q
T
D
-
D
W
-------
Q
T
L
Q
A
-
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F
P
T
F
R
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M
Q
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--
L
------
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D
L
H
---------
G
-------
N
-
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M
Q
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L
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F
A
----
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R
-----
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N
L
L
---
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D
----
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-----
V
L
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L
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Q
A
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---
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D
G
G
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L
L
V
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K
R
L
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A
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Q
A
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A
------
W
V
D
A
Y
C
H
Q
V
L
K
P
L
F
T
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D
Y
G
L
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L
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Q
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I
L
V
Q
M
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P
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S
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P
H
A
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D
T
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A
----------
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V
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Q
L
L
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F
P
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L
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Y
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P
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G
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Y
L
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---------
P
S
V
I
Y
F
D
F
A
N
P
L
L
A
Q
-------
2
PsiBlast_PDB
85.73
27%
-22
- C4 -
-
5JM8
1
?
A:
[14-574]
----------------
V
A
A
Q
C
F
L
N
S
L
V
R
E
T
K
D
W
R
L
T
E
Y
Q
---------------------
P
---------
T
Q
L
I
I
P
L
-
G
E
Q
Q
A
-
L
H
F
R
V
A
Y
--
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S
P
T
Q
H
H
R
F
E
F
P
A
R
L
V
-
T
-
A
S
G
S
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A
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L
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V
D
K
L
--
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H
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Q
L
L
L
P
A
T
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T
F
H
Q
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M
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S
--
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A
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T
Q
Q
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A
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H
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L
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F
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L
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W
F
A
V
N
K
T
----
Q
I
A
G
-----------
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--
S
-
L
H
L
-
N
L
Q
Q
R
L
T
R
F
A
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N
A
P
Q
L
L
N
E
L
S
--------
D
N
Q
W
L
F
P
L
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P
W
Q
G
E
Y
L
L
Q
Q
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W
C
Q
E
L
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-------
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K
G
L
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L
G
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A
G
A
P
W
L
P
T
T
S
S
R
S
L
Y
C
A
T
S
--
R
--
D
--
M
I
K
F
S
L
S
V
R
L
T
N
S
V
R
---------
T
L
S
V
K
E
V
K
R
G
M
R
L
A
R
L
A
------
Q
T
D
-
D
W
-------
Q
T
L
Q
A
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G
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A
G
--
L
------
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D
L
H
---------
G
-------
N
-
I
M
Q
E
S
L
-
F
A
----
L
R
E
NLLV
D
Q
P
-------------
Q
S
--
Q
T
N
-----
V
L
V
S
L
T
Q
A
A
---
P
D
G
G
D
-
S
L
L
V
A
A
V
K
R
L
S
D
R
L
G
I
T
A
-
Q
Q
A
A
H
------
A
------
W
V
D
A
Y
C
H
Q
V
L
K
P
L
F
T
A
E
A
D
Y
G
L
V
L
L
A
H
Q
Q
N
I
L
V
Q
M
L
G
D
L
P
V
G
L
I
Y
R
D
-
C
-
Q
G
S
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A
F
M
P
H
A
A
G
W
L
------
D
T
I
G
----------
E
A
Q
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EN
V
F
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T
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L
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R
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T
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K
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G
N
F
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Y
L
N
------
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P
---
S
V
I
Y
F
D
F
A
N
P
L
L
A
Q
-------
1
PsiBlast_PDB
83.48
27%
-21
- C4 -
-
5JM7
-
?
A:
[14-573]
----------------
V
A
A
Q
C
F
L
N
S
L
V
R
E
T
K
D
W
R
L
T
E
Y
Q
---------------------
P
---------
T
Q
L
I
I
P
L
-
G
E
Q
Q
A
-
L
H
F
R
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Y
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A
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----
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I
A
G
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E
--
S
-
L
H
L
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N
L
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R
F
A
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A
P
Q
L
L
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S
--------
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W
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G
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L
L
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Q
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F
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L
S
-----------------
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L
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---
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C
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----------
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H
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K
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-----
D
P
---
S
V
I
Y
F
D
F
A
N
P
L
L
A
--------
31
HHSearch
82.00
26%
-21
- C4 -
-
5JM8
1
?
A:
[11-574]
-------------
T
L
D
V
A
A
Q
C
F
L
N
S
L
V
R
E
T
K
D
W
R
L
T
E
Y
---------------------
Q
P
---------
T
Q
L
I
I
P
L
-
G
E
-
Q
Q
A
L
H
F
R
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A
Y
--
F
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---
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A
A
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L
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A
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----
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E
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L
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---
L
---
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L
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L
T
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R
F
A
A
E
----
N
A
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Q
--
L
L
N
E
L
S
D
--------
N
Q
W
-
L
F
P
L
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W
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L
L
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Q
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W
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Q
E
L
V
-------
A
K
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A
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A
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W
L
P
T
T
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--
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--
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--
M
I
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S
L
S
V
R
L
T
N
S
V
R
---------
T
L
S
V
K
E
V
K
R
G
M
R
L
A
R
L
A
------
Q
T
D
-
D
W
-------
Q
T
L
Q
A
-
R
F
P
T
F
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M
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G
W
A
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--
L
------
R
-
D
L
---------
H
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N
I
M
Q
E
S
L
--
F
A
----
L
R
-----
E
N
L
L
---
V
DQ-
P
----
Q
S
--
Q
T
N
-----
V
L
V
S
L
T
Q
A
A
---
P
D
G
-
G
D
S
L
L
V
A
A
V
K
R
L
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D
R
-
L
G
I
T
A
Q
Q
A
A
H
------
A
------
W
V
D
A
Y
C
H
Q
V
L
K
P
L
F
T
A
E
A
D
Y
G
L
V
L
L
A
H
Q
Q
N
I
L
V
Q
M
L
G
D
L
P
V
G
L
I
Y
R
D
-
C
-
Q
G
S
-
A
F
M
P
H
A
A
G
W
L
-
D
T
I
G
E
---
A
----------
Q
A
E
N
--
V
F
-
T
R
E
Q
L
L
R
--
Y
F
P
Y
Y
L
L
V
N
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T
F
A
V
T
A
A
L
G
A
A
G
L
D
S
E
A
N
L
M
A
R
V
R
T
L
L
A
E
M
R
--
D
Q
V
--
T
H
-
K
T
C
L
N
Y
V
--
L
E
N
P
Y
W
N
V
K
G
N
F
F
C
Y
L
N
---------
D
P
S
V
I
Y
F
D
F
A
N
P
L
L
A
Q
-------
30
HHSearch
79.37
26%
-18
- C4 -
-
5JM8
1
?
G:
[11-574]
-------------
T
L
D
V
A
A
Q
C
F
L
N
S
L
V
R
E
T
K
D
W
R
L
T
E
Y
---------------------
Q
P
---------
T
Q
L
I
I
P
L
-
G
E
-
Q
Q
A
L
H
F
R
V
A
Y
--
F
S
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T
Q
H
H
R
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F
P
A
R
L
V
-
T
-
A
S
G
S
H
P
V
D
F
A
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L
S
R
L
I
V
D
K
L
Q
H
Q
L
L
L
P
A
T
S
C
E
T
---
F
H
Q
R
V
M
E
S
--
H
A
H
T
Q
Q
A
I
D
A
R
H
D
W
A
A
-
L
R
E
K
A
L
N
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A
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A
L
L
V
G
H
A
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H
P
A
P
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H
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N
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Q
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A
E
R
Y
L
P
D
F
A
P
H
F
P
L
R
W
F
A
V
N
K
T
----
Q
I
A
G
E
S
L
H
---
L
---
N
LQ
Q
-
R
L
T
-
R
F
A
A
E
----
N
A
P
Q
--
L
L
N
E
L
S
D
--------
N
Q
W
-
L
F
P
L
H
P
W
Q
G
E
Y
L
L
Q
Q
E
W
C
Q
E
L
V
-------
A
K
G
L
I
K
D
L
G
E
A
G
A
P
W
L
P
T
T
S
S
R
S
L
Y
C
A
T
S
--
R
--
D
--
M
I
K
F
S
L
S
V
R
L
T
N
S
V
R
---------
T
L
S
V
K
E
V
K
R
G
M
R
L
A
R
L
A
------
Q
T
D
-
D
W
-------
Q
T
L
Q
A
-
R
F
P
T
F
R
V
M
Q
E
D
G
W
A
G
--
L
------
R
-
D
L
---------
H
G------
N
I
M
Q
E
S
L
--
F
A
----
L
R
-----
E
N
L
L
---
V
DQ-
P
----
Q
S
--
Q
T
N
-----
V
L
V
S
L
T
Q
A
A
---
P
D
G
-
G
D
S
L
L
V
A
A
V
K
R
L
S
D
R
-
L
G
I
T
A
Q
Q
A
A
H
------
A
------
W
V
D
A
Y
C
H
Q
V
L
K
P
L
F
T
A
E
A
D
Y
G
L
V
L
L
A
H
Q
Q
N
I
L
V
Q
M
L
G
D
L
P
V
G
L
I
Y
R
D
-
C
-
Q
G
S
-
A
F
M
P
H
A
A
G
W
L
-
D
T
I
G
E
---
A
----------
Q
A
E
N
--
V
F
-
T
R
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Q
L
L
R
--
Y
F
P
Y
Y
L
L
V
N
S
T
F
A
V
T
A
A
L
G
A
A
G
L
D
S
E
A
N
L
M
A
R
V
R
T
L
L
A
E
M
R
--
D
Q
V
--
T
H
-
K
T
C
L
N
Y
V
--
L
E
N
P
Y
W
N
V
K
G
N
F
F
C
Y
L
N
D
-------------
Y
F
D
F
A
N
P
L
L
A
Q
-------
20
Fugue
71.74
21%
5
- C4 -
-
2W02
1
?
A:
[5-587]
----N
H
D
V
L
S
R
M
I
S
E
K
A
A
L
H
G
L
L
N
C
L
I
K
E
F
A
I
P
E
G
Y
L
R
Y
E
W
P
D
E
M
K
---------
G
I
P
P
G
A
YFDGADWK
G
I
P
M
M
I
G
L
-
P
D
-
Q
L
Q
L
F
V
M
V
D
R
--
R
D
T
F
G
S
Q
H
Y
L
S
D
V
Y
L
R
-
Q
-
A
G
D
W
Q
C
P
D
F
E
P
L
V
A
R
L
L
A
A
C
E
H
I
A
-
G
R
K
N
--
P
E
---
L
Y
E
Q
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L
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--
Q
R
L
V
S
A
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G
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Q
R
A
D
--
A
P
L
Q
H
Y
L
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Q
G
L
W
F
G
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H
P
A
P
K
A
R
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W
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-
A
L
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Q
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Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
----
G
L
H
I
G
A
N
--------------
G
L
-
T
P
Q
Q
V
L
D
G
F
A
D
Q
Q
-----
P
A
S
P
--------
G
H
A
-
I
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M
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V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
------
R
-
Q
-
L
L
-------
D
Q
H
A
D
-
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
--
W
S
PAAAG
E
-
L
D
---------
S
-------
H
-
W
F
R
E
Q
T
G
G
I
----
L
R
-----
E
N
F
C
---
R
---
R
TG--
A
E
--
R
S
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-----
M
A
G
T
L
F
A
R
G
---
V
D
L
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-----
P
M
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Q
T
F
L
R
T
H
Y
G
E
A
L
D
D
N
A
L
L
------
Y
------
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
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G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
--
G
E
L
--
K
Q
P
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
L
------------
A
A
S
Y
V
R
L
P
S
P
W
----------
33
HHSearch
71.05
21%
3
- C4 -
-
2X3J
5
?
A:
[11-588]
----------
R
M
I
S
E
K
A
A
L
H
G
L
L
N
C
L
I
K
E
F
A
I
P
E
G
Y
L
R
Y
E
W
P
D
E
M
K
GIPPGAYFD
G
A
D
W
K
G
---------
I
P
M
M
I
G
L
-
P
D
-
Q
L
Q
L
F
V
M
V
D
R
--
R
D
T
F
G
S
Q
H
Y
L
S
D
V
Y
L
R
-
Q
A
Q
G
D
W
Q
C
P
D
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P
L
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A
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L
L
A
A
C
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H
I
A
---
G
R
K
N
P
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---
L
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Q
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L
Q
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--
Q
R
L
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R
Q
R
--
A
D
A
P
L
Q
H
Y
L
Q
S
E
Q
G
L
W
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G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
----
G
L
H
I
G
A
N
G
---
L
---
T
----
P
-
Q
-
Q
V
L
D
-------
G
F
A
-
D
Q
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
------
R
Q
L
-
L
D
-------
Q
H
A
D
T
--
L
G
G
L
V
A
A
A
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V
V
S
--
W
------
S
-
P
A
---------
A
AG
E
L
D
S
H
W
-
F
R
E
Q
T
G
-
G
I
----
L
R
-----
E
N
F
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---
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----
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--
R
S
I
-----
M
A
G
T
L
F
A
R
G
---
V
D
L
-
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-
P
M
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Q
T
F
L
R
T
H
Y
G
---
E
A
L
D
D
N
A
L
L
------
Y
------
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
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G
V
-
K
L
T
D
D
L
G
I
R
Y
I
D
D
D
I
H
-
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
S
Q
G
R
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Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
--
G
E
L
K-
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
L
A
A
E
A
D
------
R
Q
A
S
Y
V
R
L
P
S
P
W
G
---------
32
HHSearch
71.01
21%
0
* C4 *
-
2X3J
4
?
B:
[11-587]
----------
R
M
I
S
E
K
A
A
L
H
G
L
L
N
C
L
I
K
E
F
A
I
P
E
G
Y
L
R
Y
E
W
P
D
E
M
K
GIPPGAYFD
G
A
D
W
K
G
---------
I
P
M
M
I
G
L
-
P
D
-
Q
L
Q
L
F
V
M
V
D
R
--
R
D
T
F
G
S
Q
H
Y
L
S
D
V
Y
L
R
-
Q
A
Q
G
D
W
Q
C
P
D
F
E
P
L
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A
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L
L
A
A
C
E
H
I
A
---
G
R
K
N
P
E
---
L
Y
E
Q
I
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Q
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--
Q
R
L
V
S
A
I
V
S
H
N
G
R
Q
R
--
A
D
A
P
L
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
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H
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A
P
K
A
R
L
W
P
-
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
----
G
L
H
I
G
A
N
G
---
L
---
T
----
P
-
Q
-
Q
V
L
D
-------
G
F
A
-
D
Q
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
------
R
Q
L
-
L
D
-------
Q
H
A
D
T
--
L
G
G
L
V
A
A
A
E
P
G
V
V
S
--
W
------
S
-
P
A
---------
A
AG
E
L
D
S
H
W
-
F
R
E
Q
T
G
-
G
I
----
L
R
-----
E
N
F
C
---
R
RT-
G
----
A
E
--
R
S
I
-----
M
A
G
T
L
F
A
R
G
---
V
D
L
-
Q
-
P
M
I
Q
T
F
L
R
T
H
Y
G
---
E
A
L
D
D
N
A
L
L
------
Y
------
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
I
D
D
D
I
H
-
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
--
G
E
L
K-
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
L
A
A
-----------
A
S
Y
V
R
L
P
S
P
W
----------
22
Fugue
65.37
18%
-6
- C4 -
-
2X0O
-
?
A:
[7-601]
PH
P
A
E
I
V
A
H
L
Q
P
E
I
W
N
K
V
N
R
L
L
V
R
K
A
I
S
E
Y
A
H
E
W
L
L
E
P
---
Q
R
L
G
P
---------
G
E
T
P
G
F
---------
E
R
F
R
L
T
L
-
A
D
-
G
A
Q
Y
D
F
D
A
Q
V
--
M
A
M
R
H
W
R
I
P
P
E
S
I
V
K
T
-
V
-
A
G
V
P
A
P
L
D
A
L
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R
D
K
L
G
L
P
V
-
D
R
---
L
P
I
---
Y
M
D
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I
T
S
T
--
L
H
G
S
A
Y
K
H
G
R
T
T
L
G
A
A
A
L
A
R
A
--
D
Y
Q
T
I
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T
S
M
I
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G
H
P
S
F
V
A
N
N
G
R
L
G
F
D
A
E
D
Y
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G
Y
A
P
E
A
A
T
P
V
R
L
M
W
L
A
V
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D
N
A
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F
S
C
L
S
D
M
D
Y
---
D
---
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--
L
-
M
S
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-
E
L
G
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S
A
V
T
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F
A
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L
R
E
Q
G
L
H
P
A
--------
D
Y
Y
-
F
M
P
A
H
P
W
Q
W
F
N
-
K
L
S
L
A
F
A
P
Y
V
-------
A
Q
R
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C
L
G
Y
G
E
E
Q
Y
L
A
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Q
S
I
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T
F
F
N
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R
--
P
G
K
R
--
Y
V
K
T
S
L
S
I
L
N
M
G
F
M
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GLS
P
Y
Y
M
A
G
T
P
A
I
N
E
Y
I
H
D
L
I
S
A
D
P
W
------
L
R
A
-
N
G
-------
F
R
I
L
R
-
E
V
A
S
M
G
F
R
N
Y
Y
Y
E
A
A
--
I
------
D
-
T
D
---------
T
-------
P
-
Y
K
K
M
F
S
-
A
L
----
W
R
-----
E
N
P
L
---
T
---
L
I
APG
Q
N
--
L
M
T
-----
M
A
A
L
L
H
V
D
P
---
Q
G
R
-------
A
L
L
P
E
L
I
Q
A
S
G
L
D
-----
A
G
------
T
------
W
L
E
R
Y
V
D
A
Y
L
T
P
L
I
H
C
F
Y
A
H
D
L
V
F
M
P
H
G
E
N
V
I
L
V
I
Q
D
G
V
P
V
R
A
F
M
K
D
-
I
-
A
E
E
-
S
S
I
----
L
N
P
-
Q
V
R
L
P
Q
A
A
Q
----------
R
L
A
A
--
D
V
-
P
E
A
Y
K
L
L
--
T
I
F
V
D
V
F
E
G
Y
F
R
H
L
T
Q
I
L
V
E
T
E
L
M
P
E
H
D
F
W
R
L
V
A
G
R
I
A
A
Y
Q
--
Q
A
H
--
P
Q
-
R
L
D
K
Y
R
R
Y
D
L
F
A
P
D
M
I
H
S
C
L
N
R
L
Q
L
A
A
--------------
P
N
L
P
N
P
I
A
C
F
-------
35
HHSearch
65.01
16%
-28
- C4 -
-
2X0Q
1
?
A:
[18-603]
-----------
P
E
I
W
N
K
V
N
R
L
L
V
R
K
A
I
S
E
Y
A
H
E
W
L
L
E
P
Q
R
L
G
P
------------
G
E
T
P
G
F
---------
E
R
F
R
L
T
L
-
A
D
-
G
A
Q
Y
D
F
D
A
Q
V
---
M
A
M
R
H
W
R
I
P
P
E
S
I
V
K
T
V
-
A
G
V
P
A
P
L
D
A
L
Q
F
V
I
E
I
R
D
K
L
G
L
P
----
V
D
R
L
P
I
---
Y
M
D
E
I
T
S
T
--
L
H
G
S
A
Y
K
H
G
R
T
T
L
G
A
A
--
A
L
A
R
A
D
Y
Q
T
I
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T
S
M
I
E
G
H
P
S
F
V
A
N
N
G
R
L
G
F
D
A
E
D
Y
H
G
Y
A
P
E
A
A
T
P
V
R
L
M
W
L
A
V
H
K
D
----
N
A
H
F
S
C
L
S
DMD
Y
---
D
--
S
L
M
S
E
-
E
L
G
E
S
A
V
T
D
F
A
A
R
L
R
E
Q
G
L
H
P
A
--------
D
Y
Y
-
F
M
P
A
H
P
W
Q
W
F
N
K
L
S
L
-
A
F
A
P
Y
V
-------
A
Q
R
K
I
V
C
L
G
Y
G
E
E
Q
Y
L
A
Q
Q
S
I
R
T
F
F
N
I
S
R
PG
K
--
R
--
Y
V
K
T
S
L
S
I
L
N
M
G
F
M
R
---------
G
L
S
P
Y
Y
M
A
G
T
P
A
I
N
E
Y
I
------
H
D
L
-
I
S
-------
A
D
P
W
L
-
R
A
N
G
F
R
I
L
R
E
V
A
S
M
G
--
F
------
R
-
N
Y
Y
Y
E
A
A
I
DTD
T
-------
P
-
Y
K
K
M
F
S
-
A
L
----
W
R
-----
E
N
P
L
TLI
A
---
P
----
G
Q
--
N
L
M
-----
T
M
A
A
L
L
H
V
D
---
P
Q
G
-
R
-
A
L
L
P
E
L
I
Q
A
S
-----
G
----
L
D
A
G
------
T
------
W
L
E
R
Y
V
D
A
Y
L
T
P
L
I
H
C
F
Y
A
H
D
L
V
F
M
P
H
G
E
N
V
I
L
V
I
Q
D
G
V
P
V
R
A
F
M
K
D
-
I
-
A
E
E
S
S
I
L
N
P
Q
V
------
R
L
P
Q
--
A
----------
A
Q
R
L
--
A
A
-
D
V
P
E
A
Y
K
LL
T
I
F
V
D
V
F
E
G
Y
F
R
H
L
T
Q
I
L
V
E
T
E
L
M
P
E
H
D
F
W
R
L
V
A
G
R
I
A
A
Y
Q
--
Q
A
H
PQ
R
L
-
D
K
Y
R
R
Y
D
--
L
F
A
P
D
M
I
H
S
C
L
N
R
L
Q
L
A
N
--------------
P
N
L
P
N
P
I
A
C
F
R
P
-----
34
HHSearch
59.51
17%
-9
- C4 -
-
3TO3
3
?
B:
[20-597]
----------
Y
I
S
V
R
R
R
V
L
R
Q
L
V
E
S
L
I
Y
E
G
I
I
T
P
A
R
I
E
K
E
-------------------
E
Q
---------
I
L
F
L
I
Q
G
L
D
E
D
N
K
S
V
T
Y
E
C
Y
G
R
E
R
I
T
F
G
R
I
S
I
D
S
L
I
V
R
V
-
Q
-
D
G
K
Q
E
I
Q
S
V
A
Q
F
L
E
E
V
F
R
V
V
N
V
----
E
Q
T
K
L
D
S
---
F
I
H
E
L
E
Q
T
--
I
F
K
D
T
I
A
Q
Y
E
R
C
N
---------
K
S
Y
D
E
L
E
N
H
L
I
D
G
H
P
Y
H
P
S
Y
K
A
R
I
G
F
Q
Y
R
D
N
F
R
Y
G
Y
E
F
M
R
P
I
K
L
I
W
I
A
A
H
K
K
----
N
A
T
V
G
Y
E
N
---
E
V
I
Y
D
--
K
-
I
L
K
S
E
V
G
E
R
K
L
E
A
Y
K
E
R
I
H
S
M
G
C
D
P
K
--------
Q
Y
L
-
F
I
P
V
H
P
W
Q
W
E
N
F
I
I
S
-
N
Y
A
E
D
I
-------
Q
D
K
G
I
I
Y
L
G
E
S
A
D
D
Y
C
A
Q
Q
S
M
R
T
L
R
N
V
T
N
PK
R
--
P
--
Y
V
K
V
S
L
N
I
L
N
T
S
T
L
R
---------
T
L
K
P
Y
S
V
A
S
A
P
A
I
S
N
W
L
------
S
N
V
-
V
S
-------
Q
D
S
Y
L
R
D
E
S
R
V
I
L
L
K
E
F
S
S
V
M
--
Y
------
D
-
T
N
K--------
K
-------
A
-
T
Y
G
S
L
G
-
C
I
----
W
R
-----
E
S
V
H
---
H
YLG
E
----
Q
E
--
D
A
V
-----
P
F
N
G
L
Y
A
K
E
---
K
D
G
-
T
-
P
I
I
D
A
W
L
N
K
Y
-----------
G
I
E
------
N
------
W
L
R
L
L
I
Q
K
A
I
I
P
V
I
H
L
V
V
E
H
G
I
A
L
E
S
H
G
Q
N
M
I
L
V
H
K
E
G
L
P
V
R
I
A
L
K
D
-
F
H
E
G
L
-
E
F
Y
R
P
F
L
K
E
M
-
N
K
-
C
P
D
F
T
K
MH
K
T
Y
A
N
GKM
N
D
F
F
--
E
M
D
R
I
E
C
L
Q
E
--
M
V
L
D
A
L
F
L
F
N
V
G
E
L
A
F
V
L
A
D
K
Y
E
W
K
E
E
S
F
W
M
I
V
V
E
E
I
E
N
H
F
--
R
K
Y
PH
L
K
-
D
R
F
E
S
I
Q
--
L
Y
T
P
T
F
Y
A
E
Q
L
T
K
R
R
L
Y
I
D
V
--------
E
S
L
V
H
E
V
P
N
P
L
Y
R
A
R
Q
-----
7
PsiBlast_PDB
59.25
24%
1
- C4 -
-
2X3J
3
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
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P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
A
E
A
D
R
Q
A
S
Y
V
R
L
P
S
P
-----------
6
PsiBlast_PDB
58.54
24%
-6
- C4 -
-
2X3K
1
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
A
-----
A
S
Y
V
R
L
P
S
P
-----------
8
PsiBlast_PDB
57.72
24%
-3
- C4 -
-
3FFE
-
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
------
A
S
Y
V
R
L
P
S
P
-----------
5
PsiBlast_PDB
57.43
24%
-2
- C4 -
-
2W04
-
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
------
A
S
Y
V
R
L
P
S
P
-----------
3
PsiBlast_PDB
57.15
24%
-3
- C4 -
-
2W02
1
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
-
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
------
A
S
Y
V
R
L
P
S
P
-----------
4
PsiBlast_PDB
56.82
24%
2
- C4 -
-
2W03
1
?
A:
[157-586]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
H
Y
L
Q
S
E
Q
G
L
W
F
G
H
P
S
H
P
A
P
K
A
R
L
W
P
A
H
L
G
Q
E
Q
W
A
P
E
F
Q
A
R
A
A
L
H
Q
F
E
V
P
V
D
G
L
--
H
I
G
A
N
G
L
T
---
P
---
Q
--
Q
-
V
L
D
-
G
F
A
D
Q
------------
Q
P
A
S
P
--------
G
H
A
-
I
I
C
M
H
P
V
Q
A
Q
L
F
M
Q
D
A
R
V
Q
Q
L
L
-------
R
D
N
V
I
R
D
L
G
Q
S
G
R
V
A
S
P
T
A
S
I
R
T
W
F
I
D
D
H
--
D
--
Y
--
F
I
K
G
S
L
N
V
R
I
T
N
C
V
R
---------
K
N
A
W
Y
E
L
E
S
T
V
L
I
D
R
L
F
R
Q
L
L
D
Q
H
A
D
T
L
G
G
L
V
A
A
A
E
P
G
V
V
S
-
W
S
P
A
A
A
G
E
L
D
S
H
W
F
R
--
E
------
Q
-
T
G
---------
G
---------
I
L
R
E
N
F
-
C
R
----
R
T
-----
G
A
E
R
---
S
---
I
----
M
A
--
G
-
T
-----
L
F
A
R
G
V
D
L
Q
---
P
--------------
M
I
Q
T
F
L
R
T
H
Y
G
E
-
A
L
------
D
D
N
A
L
L
Y
W
F
D
D
Y
Q
T
R
L
L
R
P
V
L
S
L
F
F
N
H
G
V
V
M
E
P
H
L
Q
N
S
V
L
V
H
Q
Q
G
R
P
Q
Q
V
L
L
R
D
-
F
-
E
G
V
-
K
L
T
D
D
L
G
I
R
Y
-
I
D
D
D
I
H
P
R
V
----------
R
Q
S
L
--
L
Y
-
S
R
E
Q
G
W
N
--
R
I
M
Y
C
L
F
I
N
H
L
S
E
T
I
L
A
L
-
S
Q
G
R
P
Q
L
A
P
L
M
W
R
R
V
Q
Q
Q
L
R
A
I
Q
G
E
L
K
--
Q
P
-
S
P
E
L
D
A
L
--
I
A
G
H
P
V
A
C
K
T
N
L
K
V
R
------
L
A
------
A
S
Y
V
R
L
P
S
P
-----------
11
PsiBlast_PDB
48.58
22%
-17
- C4 -
-
2X0Q
1
?
A:
[155-486]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
T
S
M
I
E
G
H
P
S
F
V
A
N
N
G
R
L
G
F
D
A
E
D
Y
H
G
Y
A
P
E
A
A
T
P
V
R
L
M
W
L
A
V
H
K
D
----
N
A
H
F
S
C
L
S
---
D
---
M
--
D
-
Y
D
S
-
L
M
S
E
E
----
L
G
E
S
A
V
T
D
F
A
A
R
L
R
E
Q
GLHPA
D
Y
Y
-
F
M
P
A
H
P
W
Q
--------
W
F
N
K
L
S
LAF
A
P
Y
V
A
Q
R
K
I
V
C
L
G
Y
G
E
E
Q
Y
L
A
Q
Q
S
I
R
T
F
F
N
I
S
R
--
P
--
G
K
R
Y
V
K
T
S
L
S
I
L
N
M
G
F
M
R
GLS
P
Y
Y
M
A
G
T
P
A
I
N
E
Y
I
H
D
L
I
S
A
D
P
W
------
L
R
A
-
N
G
-------
F
R
I
L
R
-
E
V
A
S
M
G
F
R
N
Y
Y
Y
E
A
A
--
I
------
D
-
T
D
---------
T
-------
P
-
Y
K
K
M
F
S
-
A
L
----
W
R
-----
E
N
P
L
TLI
A
---
P
----
G
Q
--
N
L
M
-----
T
M
A
A
L
L
H
V
D
---
P
Q
G
R
------
A
L
L
P
E
L
I
Q
A
S
G
L
D
-----
A
G
------
T
------
W
L
E
R
Y
V
D
A
Y
L
T
P
L
I
H
C
F
Y
A
H
D
L
V
F
M
P
H
G
E
N
V
I
L
V
I
Q
D
G
V
P
V
R
A
F
M
K
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
47.90
22%
-16
- C4 -
-
2X0P
1
?
A:
[155-485]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
T
S
M
I
E
G
H
P
S
F
V
A
N
N
G
R
L
G
F
D
A
E
D
Y
H
G
Y
A
P
E
A
A
T
P
V
R
L
M
W
L
A
V
H
K
D
----
N
A
H
F
S
C
L
S
---
D
---
M
--
D
-
Y
D
S
-
L
M
S
E
E
----
L
G
E
S
A
V
T
D
F
A
A
R
L
R
E
Q
GLHPA
D
Y
Y
-
F
M
P
A
H
P
W
Q
--------
W
F
N
K
L
S
LAF
A
P
Y
V
A
Q
R
K
I
V
C
L
G
Y
G
E
E
Q
Y
L
A
Q
Q
S
I
R
T
F
F
N
I
S
R
--
P
--
G
K
R
Y
V
K
T
S
L
S
I
L
N
M
G
---GLS
P
Y
Y
M
A
G
T
P
A
I
N
E
Y
I
H
D
L
I
S
A
D
P
W
------
L
R
A
-
N
G
-------
F
R
I
L
R
-
E
V
A
S
M
G
F
R
N
Y
Y
Y
E
A
A
--
I
------
D
-
T
D
---------
T
-------
P
-
Y
K
K
M
F
S
-
A
L
----
W
R
-----
E
N
P
L
TLI
A
---
P
----
G
Q
--
N
L
M
-----
T
M
A
A
L
L
H
V
D
---
P
Q
G
R
------
A
L
L
P
E
L
I
Q
A
S
G
L
D
-----
A
G
------
T
------
W
L
E
R
Y
V
D
A
Y
L
T
P
L
I
H
C
F
Y
A
H
D
L
V
F
M
P
H
G
E
N
V
I
L
V
I
Q
D
G
V
P
V
R
A
F
M
K
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
47.85
22%
16
- C4 -
-
3TO3
1
?
A:
[79-490]
-------------------------------------------------------------------------------------------------
G
R
I
S
I
D
S
L
I
V
R
V
-
Q
-
D
G
K
Q
E
I
Q
S
V
A
Q
F
L
E
E
V
F
R
V
V
N
V
E
--
Q
T
K
L
D
--
S
---
F
I
H
E
L
E
Q
T
I
F
K
D
T
I
A
Q
Y
--
E
R
C
----------
K
S
Y
D
E
L
E
N
H
L
I
D
G
H
P
Y
H
P
S
Y
K
A
R
I
G
F
Q
Y
R
D
N
F
R
Y
G
Y
E
F
M
R
P
I
K
L
I
W
I
A
A
H
K
K
----
N
A
T
V
G
Y
E
N
---
E
------
V
-
I
Y
D
-
K
I
---
L
K
S
E
V
G
E
R
K
L
E
A
Y
K
E
R
I
H
S
M
GCDPK
Q
Y
L
-
F
I
P
V
H
P
W
Q
W
E
N
F
I
I
S
N
Y
A
E
D
I
Q
-------
D
K
G
-
I
I
Y
L
G
E
S
A
D
D
Y
C
A
Q
Q
S
M
R
T
L
R
N
V
T
N
--
P
--
K
R
P
Y
V
K
V
S
L
N
I
L
N
T
S
T
L
R
---------
T
--------------------------------------
L
K
-
P
Y
S
V
A
S
A
P
A
I
S
N
W
L
S
N
V
V
------
S
-
Q
D
---------
S
-------
Y
-
L
R
D
E
S
R
-
V
I
LLKE
F
S
-----
S
V
M
Y
---
D
---
T
----
N
K
--
K
A
T
YGS
L
G
C
I
W
R
E
S
V
H
H
YLG
E
Q
E
D
A
-
V
P
F
N
G
L
Y
---
A
K
E
K
D
G
T
P
I
I
D
A
W
L
N
K
YG
I
E
N
------
W
L
R
L
L
I
Q
K
A
I
I
P
V
I
H
L
V
V
E
H
G
I
A
L
E
S
H
G
Q
N
M
I
L
V
H
K
E
G
L
P
V
R
I
A
L
K
D
F
H
-
E
G
L
-
E
F
Y
R
P
F
L
K
E
--
M
N
K
C
P
D
F
T
K
MH--------
K
T
Y
A
--
N
G
-----------------------------------------------------------------------------------------------------------------------