@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 : PA2385: (2016-02-07 )
MGMRTVLTGLAGMLLGSMMPVQADMPRPTGLAADIRWTAYGVPHIRAKDERGLGYGIGYAYARDNACLLAEEIVTARGERARYFGSEGKSSAELDNLPSDIFYAWLNQPEALQAFWQAQTPAVRQLLEGYAAGFNRFLREADGKTTSCLGQPWLRAIATDDLLRLTRRLLVEGGVGQFADALVAAAPPGAEKVALSGEQAFQVAEQRRQRFRLERGSNAIAVGSERSADGKGMLLANPHFPWNGAMRFYQMHLTIPGRLDVMGASLPGLPVVNIGFSRHLAWTHTVDTSSHFTLYRLALDPKDPRRYLVDGRSLPLEEKSVAIEVRGADGKLSRVEHKVYQSIYGPLVVWPGKLDWNRSEAYALRDANLENTRVLQQWYSINQASDVADLRRRVEALQGIPWVNTLAADEQGNALYMNQSVVPYLKPELIPACAIPQLVAEGLPALQGQDSRCAWSRDPAAAQAGITPAAQLPVLLRRDFVQNSNDSAWLTNPASPLQGFSPLVSQEKPIGPRARYALSRLQGKQPLEAKTLEEMVTANHVFSADQVLPDLLRLCRDNQGEKSLARACAALAQWDRGANLDSGSGFVYFQRFMQRFAELDGAWKEPFDAQRPLDTPQGIALDRPQVATQVRQALADAAAEVEKSGIPDGARWGDLQVSTRGQERIAIPGGDGHFGVYNAIQSVRKGDHLEVVGGTSYIQLVTFPEEGPKARGLLAFSQSSDPRSPHYRDQTELFSRQQWQTLPFSDRQIDADPQLQRLSIRE
Atome Classification :
(24 SA)
.........10........20........30........40........50........60........70........80........90........100....---...110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240-.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440...-----....450.......460.......470......--.480.......490......----..500-.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600--..----.......610.......620.......630.......640.......650.......660.......670.-----......680.......690.......700.......710.......720.......730.......740.......750.......760
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
G
M
R
T
V
L
T
G
L
A
G
M
L
L
G
SMMPVQADMPRPTG
L
A
A
D
I
R
W
T
AYGVPHIRAKDERGLGYGI
G
Y
A
YARD
N
A
C
L
L
A
E
E
I
V
TARG
E
R
A
RYFGSEGKSSAELDNL
P
S
D
I
F
Y
A
WL---NQ
P
E
A
L
Q
A
F
W
QAQ
T
P
A
V
R
Q
L
L
E
G
Y
A
A
G
F
N
R
F
L
R
EADGKTTSC
L
G
Q
P
W
L
R
A
IA
T
D
D
L
L
R
L
T
R
R
L
L
VEGG
V
G
Q
F
A
D
A
L
V
AAAPPGA
E
K
V
ALS
G
E
Q
A
F
Q
V
A
E
Q
R
R
Q
R
F
R
LERGS
N
A
I
A
VGSERSADGK
G
M
L
L
ANPHFPW-NG
A
M
R
F
Y
Q
M
H
LTIPGR
L
D
VMGASLPG
L
P
V
V
NIGFSRH
L
A
W
T
H
T
VDTSS
H
F
T
L
Y
R
L
ALDPKDP
R
R
Y
L
VDGRSLPLEE
K
S
V
A
I
E
V
RGADG
K
L
S
R
V
E
H
K
V
Y
Q
S
IYG
P
L
V
V
WPGKLDWNRS
E
A
Y
A
LRDANL
E
N
T
R
V
L
Q
Q
W
YSINQAS
D
V
A
D
L
R
R
R
V
E
A
LQGIPW
V
N
T
LAADEQG
N
A
L
Y
MNQSVVPYLKPELIPACA
I
P
Q
L
V
A
EGLPA-----LQGQDSRCAWSRDPAAAQAGIT
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
VQNSNDS
A
W
L-TNPASPL----QGF
S
P
-
L
VSQEKPIG
P
R
A
R
Y
A
L
S
R
LQGKQPL
E
A
K
T
L
E
E
M
V
T
ANHVF
S
A
D
Q
V
L
P
D
L
L
R
L
CRDNQ
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
WDRGANLDSGS
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
ELD----GA----WKEPFDAQRPLDTPQGIALD
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
KSGIPDGARWG
D
L
Q
V
STRGQ
E
R
I
A
IPGGDG
H
-----
F
G
V
Y
N
A
I
Q
S
VRKGD
H
L
E
V
VGGT
S
Y
I
Q
L
V
TFPEEGPKAR
G
L
L
A
FSQSSDPRSPHYR
D
Q
T
E
L
F
S
R
Q
QWQTLPFSDRQIDADPQ
L
Q
RLSIRE
8
PsiBlast_PDB
98.11
100%
-79
- C3 -
2WYD
7
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
14
PsiBlast_PDB
98.07
100%
-80
- C3 -
3SRC
15
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
13
PsiBlast_PDB
98.06
100%
-80
- C3 -
3SRB
9
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
12
PsiBlast_PDB
97.97
100%
-80
- C3 -
3SRA
16
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
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I
Y
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P
L
V
V
W
P
G
K
L
D
W
N
R
S
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A
Y
A
L
R
D
A
N
L
E
N
T
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V
L
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Q
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N
Q
A
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D
V
A
D
L
R
R
R
V
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A
L
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P
W
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N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
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L
F
S
R
Q
Q
W
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P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
15
PsiBlast_PDB
97.96
100%
-80
- C3 -
4K2F
8
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
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V
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H
K
V
Y
Q
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I
Y
G
P
L
V
V
W
P
G
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L
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W
N
R
S
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A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
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N
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A
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D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
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P
L
----
Q
G
F
S
P
-
L
V
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Q
E
K
P
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A
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A
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L
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Q
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A
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A
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A
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L
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L
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Q
G
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S
L
A
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A
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A
A
L
A
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A
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L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
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K
A
R
G
L
L
A
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L
F
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R
Q
Q
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Q
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P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
5
PsiBlast_PDB
97.93
100%
-80
- C3 -
4WKV
14
?
C:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
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E
K
S
V
A
I
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V
R
G
A
D
G
K
L
S
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H
K
V
Y
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Y
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P
L
V
V
W
P
G
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L
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A
Y
A
L
R
D
A
N
L
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N
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L
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Q
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A
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A
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L
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R
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V
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A
L
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W
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N
T
L
A
A
D
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N
A
L
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M
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V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
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Q
E
K
P
I
G
P
R
A
R
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A
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R
L
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Q
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L
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A
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L
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M
V
T
A
N
H
V
F
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A
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Q
V
L
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D
L
L
R
L
C
R
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N
Q
G
E
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S
L
A
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A
C
A
A
L
A
Q
W
D
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G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
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L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
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D
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T
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L
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P
F
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D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
10
PsiBlast_PDB
97.92
100%
-80
- C3 -
3L91
18
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
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E
K
S
V
A
I
E
V
R
G
A
D
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K
L
S
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H
K
V
Y
Q
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I
Y
G
P
L
V
V
W
P
G
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L
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W
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R
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A
Y
A
L
R
D
A
N
L
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N
T
R
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L
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Q
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Y
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Q
A
S
D
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A
D
L
R
R
R
V
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A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
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S
R
L
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Q
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L
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A
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E
M
V
T
A
N
H
V
F
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A
D
Q
V
L
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L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
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T
F
P
E
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P
K
A
R
G
L
L
A
F
S
Q
S
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D
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R
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Y
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D
Q
T
E
L
F
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R
Q
Q
W
Q
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L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
2
PsiBlast_PDB
97.86
100%
-80
- C3 -
4WKS
1
?
C:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
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K
S
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A
I
E
V
R
G
A
D
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K
L
S
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H
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V
Y
Q
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I
Y
G
P
L
V
V
W
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G
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R
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E
A
Y
A
L
R
D
A
N
L
E
N
T
R
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L
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Q
W
Y
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I
N
Q
A
S
D
V
A
D
L
R
R
R
V
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A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
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V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
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P
L
----
Q
G
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S
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-
L
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A
R
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A
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L
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A
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H
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A
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L
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L
C
R
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Q
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A
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A
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A
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A
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A
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L
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S
G
F
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Y
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Q
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F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
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F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
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A
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Q
A
L
A
D
A
A
A
E
V
E
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G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
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R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
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V
R
K
G
D
H
L
E
V
V
G
G
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I
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A
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D
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D
A
D
P
Q
L
Q
R
L
S
I
R
E
16
PsiBlast_PDB
97.85
100%
-80
- C3 -
4K2G
10
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
11
PsiBlast_PDB
97.84
100%
-81
- C3 -
3L94
17
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
--
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
6
PsiBlast_PDB
97.76
100%
-80
- C3 -
2WYB
6
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
4
PsiBlast_PDB
97.76
100%
-80
- C3 -
4WKU
14
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
7
PsiBlast_PDB
97.69
100%
-80
- C3 -
2WYC
7
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
1
PsiBlast_PDB
97.64
100%
-81
- C3 -
4M1J
17
?
C:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
3
PsiBlast_PDB
97.46
100%
-78
- C3 -
4WKT
16
?
C:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
9
PsiBlast_PDB
97.44
100%
-80
- C3 -
2WYE
5
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
F
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
17
PsiBlast_PDB
96.72
99%
-79
- C3 -
4BTH
4
?
B:
[1-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
I
A
V
G
S
E
R
S
A
D
G
K
G
M
L
L
A
N
P
H
Y
P
W
-
N
G
A
M
R
F
Y
Q
M
H
L
T
I
P
G
R
L
D
V
M
G
A
S
L
P
G
L
P
V
V
N
I
G
F
S
R
H
L
A
W
T
H
T
V
D
T
S
S
H
F
T
L
Y
R
L
A
L
D
P
K
D
P
R
R
Y
L
V
D
G
R
S
L
P
L
E
E
K
S
V
A
I
E
V
R
G
A
D
G
K
L
S
R
V
E
H
K
V
Y
Q
S
I
Y
G
P
L
V
V
W
P
G
K
L
D
W
N
R
S
E
A
Y
A
L
R
D
A
N
L
E
N
T
R
V
L
Q
Q
W
Y
S
I
N
Q
A
S
D
V
A
D
L
R
R
R
V
E
A
L
Q
G
I
P
W
V
N
T
L
A
A
D
E
Q
G
N
A
L
Y
M
N
Q
S
V
V
P
Y
L
K
P
E
L
I
P
A
C
A
I
P
Q
L
V
A
E
G
L
P
A
-----
L
Q
G
Q
D
S
R
C
A
W
S
R
D
P
A
A
A
Q
A
G
I
T
P
A
A
Q
L
P
V
L
L
R
R
--
D
F
V
Q
N
S
N
D
S
A
W
L
-
T
N
P
A
S
P
L
----
Q
G
F
S
P
-
L
V
S
Q
E
K
P
I
G
P
R
A
R
Y
A
L
S
R
L
Q
G
K
Q
P
L
E
A
K
T
L
E
E
M
V
T
A
N
H
V
F
S
A
D
Q
V
L
P
D
L
L
R
L
C
R
D
N
Q
G
E
K
S
L
A
R
A
C
A
A
L
A
Q
W
D
R
G
A
N
L
D
S
G
S
G
F
V
Y
F
Q
R
F
M
Q
R
F
A
E
L
D
----
G
A
----
W
K
E
P
F
D
A
Q
R
P
L
D
T
P
Q
G
I
A
L
D
R
P
Q
V
A
T
Q
V
R
Q
A
L
A
D
A
A
A
E
V
E
K
S
G
I
P
D
G
A
R
W
G
D
L
Q
V
S
T
R
G
Q
E
R
I
A
I
P
G
G
D
G
H
-----
F
G
V
Y
N
A
I
Q
S
V
R
K
G
D
H
L
E
V
V
G
G
T
S
Y
I
Q
L
V
T
F
P
E
E
G
P
K
A
R
G
L
L
A
F
S
Q
S
S
D
P
R
S
P
H
Y
R
D
Q
T
E
L
F
S
R
Q
Q
W
Q
T
L
P
F
S
D
R
Q
I
D
A
D
P
Q
L
Q
R
L
S
I
R
E
20
PsiBlast_PDB
78.96
25%
-53
- C3 -
1KEH
-
?
A:
[9-679]
-------------------
P
I
A
A
Y
K
P
R
----
S
N
E
I
L
W
D
G
Y
G
V
P
H
I
Y
G
V
D
A
P
S
A
F
Y
G
Y
G
W
A
Q
A
R
S
H
G
D
N
I
L
R
L
Y
G
E
A
R
G
K
G
A
E
Y
W
G
P
D
Y
E
Q
T
T
-----------
V
W
L
L
T
N
G
V
P
E
R
A
Q
Q
W
Y
A
Q
Q
S
P
D
F
R
A
N
L
D
A
F
A
A
G
I
N
A
Y
A
Q
Q
N
P
D
D
I
S
P
E
V
R
Q
--
V
L
P
V
S
G
A
D
V
V
A
H
A
H
R
L
M
N
F
L
Y
V
A
S
P
G
R
T
L
G
E
G
D
P
P
-------------
D
L
A
D
Q
---------
G
A
N
S
W
A
V
A
P
G
K
T
A
N
G
N
A
L
L
L
Q
N
P
H
L
S
W
T
T
D
Y
F
T
Y
Y
E
A
H
L
V
T
P
D
-
F
E
I
Y
G
A
T
Q
I
G
L
P
V
I
R
F
A
F
N
Q
R
M
G
I
T
N
T
V
N
G
M
V
G
A
T
N
Y
R
L
T
L
Q
D
G
G
---
Y
L
Y
D
G
Q
V
R
P
F
E
R
R
Q
A
S
Y
R
L
R
Q
A
D
G
S
T
V
D
K
P
L
E
I
R
S
S
V
H
G
P
V
------
F
E
R
A
D
G
T
A
V
A
V
R
V
A
G
L
D
R
P
G
M
L
E
Q
Y
F
D
M
I
T
A
H
S
F
D
D
Y
E
A
A
M
A
R
M
Q
-
V
P
T
F
N
I
V
Y
A
D
R
E
G
T
I
N
Y
S
F
N
G
V
A
P
K
R
--------------
A
E
G
D
I
A
F
W
Q
G
N
V
P
G
D
S
S
R
Y
L
W
T
E
--------
T
H
P
L
D
D
L
P
R
V
T
N
P
PG
G
F
V
Q
N
S
N
D
P
P
W
T
P
T
W
P
V
T
Y
C
----
P
A
N
H
P
S
Y
L
A
P
Q
T
P
H
S
L
R
A
Q
Q
S
V
R
L
M
S
E
N
D
D
L
T
L
E
R
F
M
A
L
Q
F
S
H
R
A
V
M
A
D
R
T
L
P
D
L
I
P
A
A
L
I
D
P
-
D
P
E
V
Q
A
A
A
R
L
L
A
A
W
D
R
D
F
T
S
D
S
R
A
A
L
L
-
F
E
E
W
A
R
L
F
A
G
Q
N
FAGQ
A
A
----
F
A
T
P
W
S
L
D
K
P
V
S
T
P
Y
G
V
R
-
D
P
K
A
A
V
D
Q
L
R
T
A
I
A
N
T
K
R
K
Y
G
A
I
D
R
P
F
G
------
D
A
S
R
M
I
L
N
D
V
N
V
P
G
A
A
G
Y
GNLGS
F
R
V
F
T
W
S
D
P
D
E
N
G
I
R
T
P
V
H
G
E
T
-
W
V
A
M
I
E
F
-
S
T
P
V
R
A
Y
G
L
M
S
Y
G
N
S
R
Q
P
G
T
T
H
Y
S
D
Q
I
E
R
V
S
R
A
D
F
R
E
L
L
L
R
R
E
Q
V
E
A
-----------
18
PsiBlast_PDB
78.25
25%
-57
* C3 *
3S8R
1
?
A:
[9-679]
-------------------
P
I
A
A
Y
K
P
R
----
S
N
E
I
L
W
D
G
Y
G
V
P
H
I
Y
G
V
D
A
P
S
A
F
Y
G
Y
G
W
A
Q
A
R
S
H
G
D
N
I
L
R
L
Y
G
E
A
R
G
K
G
A
E
Y
W
G
P
D
Y
E
Q
T
T
-----------
V
W
L
L
T
N
G
V
P
E
R
A
Q
Q
W
Y
A
Q
Q
S
P
D
F
R
A
N
L
D
A
F
A
A
G
I
N
A
Y
A
Q
Q
N
P
D
D
I
S
P
D
V
R
Q
--
V
L
P
V
S
G
A
D
V
V
A
H
A
H
R
L
M
N
F
L
Y
V
A
S
P
G
R
T
L
G
E
G
D
P
P
-------------
D
L
A
D
Q
---------
G
A
N
S
W
A
V
A
P
G
K
T
A
N
G
N
A
L
L
L
Q
N
P
H
L
S
W
T
T
D
Y
F
T
Y
Y
E
A
H
L
V
T
P
D
-
F
E
I
Y
G
A
T
Q
I
G
L
P
V
I
R
F
A
F
N
Q
R
M
G
I
T
N
T
V
N
G
M
V
G
A
T
N
Y
R
L
T
L
Q
D
G
G
---
Y
L
Y
D
G
Q
V
R
P
F
E
R
P
Q
A
S
Y
R
L
R
Q
A
D
G
T
T
V
D
K
P
L
E
I
R
S
S
V
H
G
P
V
------
F
E
R
A
D
G
T
A
V
A
V
R
V
A
G
L
D
R
P
G
M
L
E
Q
Y
F
D
M
I
T
A
D
S
F
D
D
Y
E
A
A
L
A
R
M
Q
-
V
P
T
F
N
I
V
Y
A
D
R
E
G
T
I
N
Y
S
F
N
G
V
A
P
K
R
A
E
G
D
I
-------
A
F
W
Q
G
L
-------
V
P
G
D
S
S
R
Y
L
W
T
E
--------
T
H
P
L
D
D
L
P
R
V
T
N
P
PG
G
F
V
Q
N
S
N
D
P
P
W
---
T
P
T
W
P
V
TYTP
K
D
F
P
S
-
Y
L
A
P
Q
T
P
H
S
L
R
A
Q
Q
S
V
R
L
M
S
E
N
D
D
L
T
L
E
R
F
M
A
L
Q
L
S
H
R
A
V
M
A
D
R
T
L
P
D
L
I
P
A
A
L
I
D
P
-
D
P
E
V
Q
A
A
A
R
L
L
A
A
W
D
R
E
F
T
S
D
S
R
A
A
L
L
-
F
E
E
W
A
R
L
F
A
G
Q
N
----
F
A
GQAG
F
A
T
P
W
S
L
D
K
P
V
S
T
P
Y
G
V
R
-
D
P
K
A
A
V
D
Q
L
R
T
A
I
A
N
T
K
R
K
Y
G
A
I
D
R
P
F
G
------
D
A
S
R
M
I
L
N
D
V
N
V
P
G
A
A
G
Y
GNLGS
F
R
V
F
T
W
S
D
P
D
E
N
G
V
R
T
P
V
H
G
E
T
-
W
V
A
M
I
E
F
-
S
T
P
V
R
A
Y
G
L
M
S
Y
G
N
S
R
Q
P
G
T
T
H
Y
S
D
Q
I
E
R
V
S
R
A
D
F
R
E
L
L
L
R
R
E
Q
V
E
A
-----------
19
PsiBlast_PDB
77.37
25%
-59
- C3 -
4E56
1
?
A:
[11-673]
-------------------
P
I
A
A
Y
K
P
R
----
S
N
E
I
L
W
D
G
Y
G
V
P
H
I
Y
G
V
D
A
P
S
A
F
Y
G
Y
G
W
A
Q
A
R
S
H
G
D
N
I
L
R
L
Y
G
E
A
R
G
K
G
A
E
Y
W
G
P
D
Y
E
Q
T
T
-----------
V
W
L
L
T
N
G
V
P
E
R
A
Q
Q
W
Y
A
Q
Q
S
P
D
F
R
A
N
L
D
A
F
A
A
G
I
N
A
Y
A
Q
Q
N
P
D
D
I
S
P
E
V
R
Q
--
V
L
P
V
S
G
A
D
V
V
A
H
A
H
R
L
M
----------
N
F
L
-------------------------------
G
G
A
N
S
W
A
V
A
P
G
K
T
A
N
G
N
A
L
L
L
Q
N
P
H
L
S
W
T
T
D
Y
F
T
Y
Y
E
A
H
L
V
T
P
D
-
F
E
I
Y
G
A
T
Q
I
G
L
P
V
I
R
F
A
F
N
Q
R
M
G
I
T
N
T
V
N
G
M
V
G
A
T
N
Y
R
L
T
L
Q
D
G
G
---
Y
L
Y
D
G
Q
V
R
P
F
E
R
R
Q
A
S
Y
R
L
R
Q
A
D
G
T
T
V
D
K
P
L
E
I
R
S
S
V
H
G
P
V
------
F
E
R
A
D
G
T
A
V
A
V
R
V
A
G
L
D
R
P
G
M
L
E
Q
Y
F
D
M
I
T
A
D
S
F
D
D
Y
E
A
A
L
A
R
M
Q
-
V
P
T
F
N
I
V
Y
A
D
R
E
G
T
I
N
Y
S
F
N
G
V
A
P
K
R
A
E
G
D
I
-------
A
F
W
Q
G
L
-------
V
P
G
D
S
S
R
Y
L
W
T
E
--------
T
H
P
L
D
D
L
P
R
V
T
N
P
PG
G
F
V
Q
N
S
N
D
P
P
W
---
T
P
T
W
P
V
TYTP
K
D
F
P
S
-
Y
L
A
P
Q
T
P
H
S
L
R
A
Q
Q
S
V
R
L
M
S
E
N
D
D
L
T
L
E
R
F
M
A
L
Q
L
S
H
R
A
V
M
A
D
R
T
L
P
D
L
I
P
A
A
L
I
D
P
-
D
P
E
V
Q
A
A
A
R
L
L
A
A
W
D
R
E
F
T
S
D
S
R
A
A
L
L
-
F
E
E
W
A
R
L
F
A
G
Q
N
----
F
A
GQAG
F
A
T
P
W
S
L
D
K
P
V
S
T
P
Y
G
V
R
-
D
P
K
A
A
V
D
Q
L
R
T
A
I
A
N
T
K
R
K
Y
G
A
I
D
R
P
F
G
------
D
A
S
R
M
I
L
N
D
V
N
V
P
G
A
A
G
Y
GNLGS
F
R
V
F
T
W
S
D
P
D
E
N
G
V
R
T
P
V
H
G
E
T
-
W
V
A
M
I
E
F
-
S
T
P
V
R
A
Y
G
L
M
S
Y
G
N
S
R
Q
P
G
T
T
H
Y
S
D
Q
I
E
R
V
S
R
A
D
F
R
E
L
L
L
R
R
E
Q
V
E
A
-----------
30
PsiBlast_CBE
51.94
100%
-52
- C3 -
4WKV
6
PVDQ_PSEAE
A:
[2-165]
----------------------------
T
G
L
A
A
D
I
R
W
T
A
Y
G
V
P
H
I
R
A
K
D
E
R
G
L
G
Y
G
I
G
Y
A
Y
A
R
D
N
A
C
L
L
A
E
E
I
V
T
A
R
G
E
R
A
R
Y
F
G
S
E
G
K
S
S
A
E
L
D
N
L
P
S
D
I
F
Y
A
W
L
---
N
Q
P
E
A
L
Q
A
F
W
Q
A
Q
T
P
A
V
R
Q
L
L
E
G
Y
A
A
G
F
N
R
F
L
R
E
A
D
G
K
T
T
S
C
L
G
Q
P
W
L
R
A
I
A
T
D
D
L
L
R
L
T
R
R
L
L
V
E
G
G
V
G
Q
F
A
D
A
L
V
A
A
A
P
P
G
A
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
51.83
100%
-53
- C3 -
4WKT
7
PVDQ_PSEAE
A:
[1-165]
---------------------------
P
T
G
L
A
A
D
I
R
W
T
A
Y
G
V
P
H
I
R
A
K
D
E
R
G
L
G
Y
G
I
G
Y
A
Y
A
R
D
N
A
C
L
L
A
E
E
I
V
T
A
R
G
E
R
A
R
Y
F
G
S
E
G
K
S
S
A
E
L
D
N
L
P
S
D
I
F
Y
A
W
L
---
N
Q
P
E
A
L
Q
A
F
W
Q
A
Q
T
P
A
V
R
Q
L
L
E
G
Y
A
A
G
F
N
R
F
L
R
E
A
D
G
K
T
T
S
C
L
G
Q
P
W
L
R
A
I
A
T
D
D
L
L
R
L
T
R
R
L
L
V
E
G
G
V
G
Q
F
A
D
A
L
V
A
A
A
P
P
G
A
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
51.38
100%
-52
- C3 -
4M1J
10
PVDQ_PSEAE
A:
[1-165]
---------------------------
P
T
G
L
A
A
D
I
R
W
T
A
Y
G
V
P
H
I
R
A
K
D
E
R
G
L
G
Y
G
I
G
Y
A
Y
A
R
D
N
A
C
L
L
A
E
E
I
V
T
A
R
G
E
R
A
R
Y
F
G
S
E
G
K
S
S
A
E
L
D
N
L
P
S
D
I
F
Y
A
W
L
---
N
Q
P
E
A
L
Q
A
F
W
Q
A
Q
T
P
A
V
R
Q
L
L
E
G
Y
A
A
G
F
N
R
F
L
R
E
A
D
G
K
T
T
S
C
L
G
Q
P
W
L
R
A
I
A
T
D
D
L
L
R
L
T
R
R
L
L
V
E
G
G
V
G
Q
F
A
D
A
L
V
A
A
A
P
P
G
A
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
50.75
100%
-51
- C3 -
4WKU
7
?
A:
[2-165]
----------------------------
T
G
L
A
A
D
I
R
W
T
A
Y
G
V
P
H
I
R
A
K
D
E
R
G
L
G
Y
G
I
G
Y
A
Y
A
R
D
N
A
C
L
L
A
E
E
I
V
T
A
R
G
E
R
A
R
Y
F
G
S
E
G
K
S
S
A
E
L
D
N
L
P
S
D
I
F
Y
A
W
L
---
N
Q
P
E
A
L
Q
A
F
W
Q
A
Q
T
P
A
V
R
Q
L
L
E
G
Y
A
A
G
F
N
R
F
L
R
E
A
D
G
K
T
T
S
C
L
G
Q
P
W
L
R
A
I
A
T
D
D
L
L
R
L
T
R
R
L
L
V
E
G
G
V
G
Q
F
A
D
A
L
V
A
A
A
P
P
G
A
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------