@TOME V2.3
(Nov 2016)
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 : Rv0873: (2016-04-26 )
MAQQTQVTEEQARALAEESRESGWDKPSFAKELFLGRFPLGLIHPFPKPSDAEEARTEAFLVKLREFLDTVDGSVIERAAQIPDEYVKGLAELGCFGLKIPSEYGGLNMSQVAYNRVLMMVTTVHSSLGALLSAHQSIGVPEPLKLAGTAEQKRRFLPRCAAGAISAFLLTEPDVGSDPARMASTATPIDDGQAYELEGVKLWTTNGVVADLLVVMARVPRSEGHRGGISAFVVEADSPGITVERRNKFMGLRGIENGVTRLHRVRVPKDNLIGREGDGLKIALTTLNAGRLSLPAIATGVAKQALKIAREWSVERVQWGKPVGQHEAVASKISFIAATNYALDAVVELSSQMADEGRNDIRIEAALAKLWSSEMACLVGDELLQIRGGRGYETAESLAARGERAVPVEQMVRDLRINRIFEGSSEIMRLLIAREAVDAHLTAAGDLANPKADLRQKAAAAAGASGFYAKWLPKLVFGEGQLPTTYREFGALATHLRFVERSSRKLARNTFYGMARWQASLEKKQGFLGRIVDIGAELFAISAACVRAEAQRTADPVEGEQAYELAEAFCQQATLRVEALFDALWSNTDSIDVRLANDVLEGRYTWLEQGILDQSEGTGPWIASWEPGPSTEANLARRFLTVSPSSEAKL
Atome Classification :
(25 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAQ
Q
T
Q
V
T
E
E
Q
A
R
A
L
A
E
E
S
R
ESGWDK
P
S
F
A
K
E
L
FLG-RFP
L
G
L
IHPFPKP-S
D
A
E
E
A
R
T
E
A
F
L
V
K
-
L
R
E
----
F
L
--
D
-TV
D
G
S
--
V
-
I
--
E
-
R
--
A
A
QI
P
D
--
E
Y
------
V
-
K
G
----------
L
A
ELGCFGLKI
P
S
EYGGL
N
M
S
Q
V
A
Y
N
R
V
L
M
M
V
T
T
V
H
S
S
L
G
A
L
L
S
A
H
Q
S-I-GVPE-
P
L
K
LA-G
T
A
E
Q
K
R
R
F
L
-
P
R
C
A
A
G
-
A
-
I
S
A
F
L
L
TEPDVGS
D
P
A
R
MASTATPIDDG
Q
A
Y
E
L
E
G
V
K
L
WTTN
G
V
V
A
D
L
L
V
V
M
A
RV---PRS-E----G----HRGG----
I
S
A
F
V
V
EADSPG
I
T
V
ERRNKFMGLRGI
E
N
G
V
T
R
L
H
RVRVPKDNLIGREGD
G
L
K
I
A
L
T
T
LNAGRLS
L
P
A
I
A
T
G
V
A
K
Q
A
L
K
I
A
R
EWSVERVQWGKPVG
Q
H
E
A
V
A
S
K
I
S
F
I
AA
T
N
Y
A
L
D
A
V
V
------------
E
L
S
--
S
Q
M
A
DE-------------GR------------------N
D
I
R
I
E
A
A
L
A
K
L
W
S
S
E
M
A
C
L
V
G
D
E
L
L
Q
IRGGRGY
E
T
A
E
S
L
A
ARGERAV
P
V
E
Q
M
V
R
D
L
R
I
N
R
IFE
G
S
S
E
I
M
R
L
L
I
A
----
R
E
A
V
D
A
H
LTAAGDLAN
P
K
A
D
L
R
Q
K
A
A
AAAGAS
G
F
Y
A
K
W
L
P
K
L
VFGEGQL
P
T
T
Y
R
E
F
G
A
L
A
T
H
L
R
F
V
E
R
S
S
R
K
L
A
----
R
-
N
TF
Y
G
M
A
--
R
W
Q
A
S
L
E
K
K
Q
G
F
L
G
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I
V
D
IG
A
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L
F
A
I
S
A
A
C
V
R
A
E
-
A
QRTA-DPVE
G
E
Q
A
Y
E
L
A
E
A
F
C
Q
Q
A
T
L
R
V
E
--------------------
A
L
F
D
A
L
----WS-----NTD
S
I
D
V
R
L
A
N
D
V
L
E
G
R
Y
T
W
L
E
QGILDQSEGTGP
W
I
ASWEPGPS
T
E
A
N
L
A
R
R
F
L
T
VSPSSEAKL
75
HHSearch
97.32
28%
-80
- C2 -
2UXW
4
ACADV_HUMAN
A:
[21-605]
------------------------
Q
S
M
S
F
A
V
G
M
F
K
G
-
Q
L
T
T
D
Q
V
F
P
Y
P
S
V
L
N
E
E
Q
T
Q
F
L
K
E
L
V
E
P
-
V
S
R
----
F
F
--
E
E
V
N
D
P
A
--
K
-
N
--
D
-
A
--
L
E
M
V
E
E
--
T
T
------
W
-
Q
G
----------
L
K
E
L
G
A
F
G
L
Q
V
P
S
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G
L
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G
A
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-
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F
A
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---
P
V
T
-
D
PATG
A
----
V
K
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----
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T
A
F
V
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G
F
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G
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A
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A
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L
A
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M
L
Q
Y
V
T
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M
A
------------
Y
M
V
--
S
A
N
M
D
Q
-------------
G
A
------------------
T
D
F
Q
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
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C
I
Q
I
M
G
G
M
G
F
M
----------
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
----
L
Q
G
C
M
D
K
G
K
E
----
L
---
S
G
L
G
S
A
L
K
N
P
F
G
----------------
S
G
L
S
L
S
G
L
V
H
P
E
L
S
R
S
G
E
L
A
V
R
A
L
E
Q
F
A
----
T
-
V
V
E
A
K
L
I
--
K
H
K
K
G
I
V
N
E
Q
F
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L
Q
R
L
A
D
G
A
I
D
L
Y
A
M
V
V
V
L
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R
A
S
-
R
S
L
S
E
-
G
H
P
T
A
Q
H
E
K
M
L
C
D
T
W
C
I
E
A
A
A
R
I
R
--------------------
E
G
M
A
A
L
----
Q
S
DPW
Q
Q
E
L
Y
R
N
F
K
S
I
S
K
A
L
V
E
R
G
G
V
V
T
S
N
P
L
---------------------------------------
1
PsiBlast_PDB
96.62
30%
-79
- C2 -
2UXW
4
ACADV_HUMAN
A:
[24-576]
---------------------------
S
F
A
V
G
M
F
K
G
-
Q
L
T
T
D
Q
V
F
P
Y
P
S
V
-
L
N
E
E
Q
T
Q
---
F
L
K
E
-
L
V
E
P
V
S
R
F
F
--
E
-
E
V
N
D
P
--
A
-
K
--
N
-
D
--
A
L
E
M
V
E
--
E
T
------
T
W
Q
G
----------
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
C
N
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Q
Y
A
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L
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V
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L
G
V
G
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L
G
A
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Q
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-
I
-
G
F
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G
-
I
L
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G
T
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K
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K
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L
A
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S
D
A
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S
A
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P
C
G
K
Y
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T
L
N
G
S
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L
W
I
S
N
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G
L
A
D
I
F
T
V
F
A
K
T
---
P
V
T
-
D
----
P
----
A
T
G
A
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K
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K
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V
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G
I
T
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G
P
P
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K
K
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F
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G
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A
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G
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F
G
L
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Q
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K
L
A
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M
V
M
L
Q
Y
V
T
E
S
M
A
------------
Y
M
V
--
S
A
N
M
D
Q
-------------
G
A
------------------
T
D
F
Q
I
E
A
A
I
S
K
I
F
G
S
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A
A
W
K
V
T
D
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C
I
Q
I
M
G
G
M
G
F
----------
M
K
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P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
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T
N
D
I
L
R
L
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V
A
----
L
Q
G
C
---
M
D
K
G
K
E
L
S
G
L
G
S
A
L
K
N
P
F
G
--------------------
S
G
L
S
L
S
G
L
V
H
P
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L
S
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S
G
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A
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A
L
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F
A
----
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V
V
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V
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M
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C
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C
I
E
A
A
A
R
I
R
--------------------
E
G
M
A
A
L
----
Q
S
-----
D
---------------------------------------------------------------
65
Fugue
96.55
28%
-79
- C2 -
2UXW
4
ACADV_HUMAN
A:
[21-607]
------------------------
Q
S
M
S
F
A
V
G
M
F
K
G
-
Q
L
T
T
D
Q
V
F
P
Y
P
S
V
-
L
N
E
E
Q
T
Q
F
L
K
E
L
V
E
P
V
S
R
----
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F
--
E
E
V
N
D
P
A
--
K
-
N
--
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A
--
L
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V
E
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--
T
T
------
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-
Q
G
----------
L
K
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A
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---
P
V
T
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D
----
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ATG
A
V
K
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K
----
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M
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S
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A
------------
Y
M
V
--
S
A
N
M
D
Q
-------------
G
A
------------------
T
D
F
Q
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
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C
I
Q
I
M
G
G
M
G
F
M
----------
K
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P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
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T
N
D
I
L
R
L
F
V
A
----
L
Q
G
C
M
D
K
G
K
E
L
S
G
L
G
S
A
L
K
N
P
F
G
S
G
L
S
L
S
G
L
V
H
-----------------------
P
E
L
S
R
S
G
E
L
A
V
R
A
L
E
Q
F
A
----
T
-
V
V
E
A
K
L
I
--
K
H
K
K
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I
V
N
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Q
F
L
L
Q
R
L
A
D
G
A
I
D
L
Y
A
M
V
V
V
L
S
R
A
S
-
R
S
L
S
E
-
G
H
P
T
A
Q
H
E
K
M
L
C
D
T
W
C
I
E
A
A
A
R
I
R
--------------------
E
G
M
A
A
L
----
Q
S
-----
D
P
W
Q
Q
E
L
Y
R
N
F
K
S
I
S
K
A
L
V
E
R
G
G
V
V
T
S
N
P
L
G
F
--------------------------------
2
PsiBlast_PDB
94.97
30%
-77
- C2 -
3B96
2
ACADV_HUMAN
A:
[1-556]
------------------------
E
S
K
S
F
A
V
G
M
F
K
G
-
Q
L
T
T
D
Q
V
F
P
Y
P
S
V
-
L
N
E
E
Q
T
Q
---
F
L
K
E
-
L
V
E
P
V
S
R
F
F
--
E
-
E
V
N
D
P
--
A
-
K
--
N
-
D
--
A
L
E
M
V
E
--
E
T
------
T
W
Q
G
----------
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
C
N
T
Q
Y
A
R
L
V
E
I
V
G
M
H
D
L
G
V
G
I
T
L
G
A
H
Q
S
-
I
-
G
F
K
G
-
I
L
-
L
F
-
G
T
K
A
Q
K
E
K
Y
L
-
P
K
L
A
S
G
E
T
-
V
A
A
F
C
L
T
E
P
S
S
G
S
D
A
A
S
I
R
T
S
A
V
P
S
P
C
G
K
Y
Y
T
L
N
G
S
K
L
W
I
S
N
G
G
L
A
D
I
F
T
V
F
A
K
T
---
P
V
T
-
D
----
P
----
A
T
G
A
V
K
E
K
I
T
A
F
V
V
E
R
G
F
G
G
I
T
H
G
P
P
E
K
K
M
G
I
K
A
S
N
T
A
E
V
F
F
D
G
V
R
V
P
S
E
N
V
L
G
E
V
G
S
G
F
K
V
A
M
H
I
L
N
N
G
R
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
D
H
A
T
N
R
T
Q
F
G
E
K
I
H
N
F
G
L
I
Q
E
K
L
A
R
M
V
M
L
Q
Y
V
T
E
S
M
A
------------
Y
M
V
--
S
A
N
M
D
Q
-------------
G
A
------------------
T
D
F
Q
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
E
C
I
Q
I
M
G
G
M
G
F
----------
M
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
----
L
Q
G
C
---
M
D
K
G
K
E
L
S
---------------------------------
L
S
L
S
G
L
V
H
P
E
L
S
R
S
G
E
L
A
V
R
A
L
E
Q
F
A
----
T
-
V
V
E
A
K
L
I
--
K
H
K
K
G
I
V
N
E
Q
F
L
L
Q
R
L
A
D
G
A
I
D
L
Y
A
M
V
V
V
L
S
R
A
S
-
R
S
L
S
E
-
G
H
P
T
A
Q
H
E
K
M
L
C
D
T
W
C
I
E
A
A
A
R
I
R
--------------------
E
G
M
A
A
L
----
Q
S
-----
D
---------------------------------------------------------------
77
HHSearch
87.84
32%
-77
- C2 -
2Z1Q
2
?
A:
[28-574]
------------------------------------------------------
F
D
E
S
V
K
E
I
A
R
T
-
T
R
T
----
F
V
--
E
R
E
V
L
P
L
--
L
-
E
R
M
E
-
H
G-
E
L
E
L
N
V
--
P
L
------
M
-
R
K
----------
A
G
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
P
K
V
I
S
T
V
V
A
E
E
L
S
-
G
S
G
G
F
S
V
T
Y
G
A
H
T
S
-
I
-
G
T
-
L
-
P
L
V
Y
F
-
G
T
E
E
Q
K
R
K
Y
L
-
P
K
L
A
S
G
-
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
R
A
T
L
S
E
D
G
K
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
V
---
D
G
--------------
E
H
----
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
I
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
------------
Y
R
T
--
V
G
L
I
D
E
-------------
A
L
LGKKG
P
E
A
V
M
A
G
I
-----
E
E
Y
A
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
S
----------
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
P
----
G
M
L
L
R
R
--------------------------------------------------------
E
D
L
E
L
H
Q
V
Q
N
L
K
K
L
A
L
M
-
V
A
G
L
A
V
Q
--
K
Y
G
Q
G
V
E
E
E
Q
E
V
L
G
A
V
A
D
I
L
I
D
A
Y
A
A
E
S
A
L
L
R
A
R
-
R
L
G
--------
G
L
A
P
V
L
A
R
I
Y
L
A
Q
A
L
D
R
A
Q
A
G
A
L
S
V
L
PRLVEG
D
E
A
R
V
V
Y
S
A
A
R
R
L
T
K
R
E
P
G
-----
D
L
V
A
L
R
R
Q
A
A
E
A
V
L
E
A
G
G
Y
P
--------------------------------------------
76
HHSearch
87.20
28%
-74
- C2 -
3OWA
7
?
A:
[14-554]
------------------------------
G
G
S
F
L
V
D
E
I
T
I
D
Q
V
F
T
P
E
D
F
-----
S
S
E
H
K
M
I
A
K
T
-
T
E
D
----
F
I
--
V
N
E
V
L
P
E
--
L
-
E
--
Y
L
E
--
Q
H
E
F
D
R
S
V
R
L
------
L
-
K
E
----------
A
G
E
L
G
L
L
G
A
D
V
P
E
E
Y
G
G
I
G
L
D
K
V
S
S
A
L
I
A
E
K
F
S
R
A
G
-
G
F
A
I
T
H
G
A
H
V
G
-
I
-
G
S
-
L
-
P
I
V
L
F
-
G
N
E
E
Q
K
K
K
Y
L
-
P
L
L
A
T
G
-
E
K
L
A
A
Y
A
L
T
E
P
G
S
G
S
D
A
L
G
A
K
T
T
A
R
L
N
A
E
G
T
H
Y
V
L
N
G
E
K
Q
W
I
T
N
S
A
F
A
D
V
F
I
V
Y
A
K
I
---
D
G
--------------
E
H
----
F
S
A
F
I
V
E
K
D
Y
A
G
V
S
T
S
P
E
E
K
K
M
G
I
K
C
S
S
T
R
T
L
I
L
E
D
A
L
V
P
K
E
N
L
L
G
E
I
G
K
G
H
I
I
A
F
N
I
L
N
I
G
R
Y
K
L
G
V
G
T
V
G
S
A
K
R
A
V
E
I
S
A
Q
Y
A
N
Q
R
Q
Q
F
K
Q
P
I
A
R
F
P
L
I
Q
E
K
L
A
N
M
A
A
K
T
Y
A
A
E
S
S
V
------------
Y
R
T
--
V
G
L
F
E
S
-------------
R
M
S
T
LS
E
E
E
V
K
D
G
K
A
V
A
A
S
I
A
E
Y
A
I
E
C
S
L
N
K
V
F
G
S
E
V
L
D
Y
T
V
D
E
G
V
Q
I
H
G
G
Y
G
F
M
----------
A
E
Y
E
I
E
R
M
Y
R
D
S
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
I
V
P
----
G
T
F
L
R
K
A
M
K
G
E
L
P
L
L
Q
-------
K
A
Q
K
L
Q
----------
E
E
L
M
M
M
---
E
-
V
---
G
D
E
P
L
-
A
L
Q
K
Y
L
V
N
N
A
K
K
I
G
----
L
M
V
A
G
L
A
A
Q
--
K
Y
G
K
A
L
D
K
E
Q
E
I
L
V
N
I
A
D
I
V
S
N
L
Y
A
M
E
S
A
V
L
R
T
E
-
K
A
I
K
T
T
G
L
E
K
N
K
Q
K
V
L
Y
T
E
V
F
C
Q
E
A
F
N
E
I
E
--------------------
A
H
A
K
E
T
----
L
I
-----
A
V
--------------------------------------------------------------
66
Fugue
85.64
30%
-65
- C2 -
2Z1Q
2
?
B:
[5-577]
------------------------
K
K
L
W
Q
K
G
G
G
W
L
L
-
E
V
P
E
R
V
Y
T
P
E
D
F
D
-
E
S
V
K
E
I
A
R
T
T
R
T
F
V
-
E
R
E
----
V
L
--
P
-
L
L
E
-
R
--
M
-
E
--
H
-
G
--
E
L
E
L
N
V
--
P
L
------
M
-
R
K
----------
A
G
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
P
K
V
I
S
T
V
V
A
E
E
L
S
G
S
-
G
G
F
S
V
T
Y
G
A
H
T
S
-
I
-
G
T
-
L
-
P
L
V
Y
F
-
G
T
E
E
Q
K
R
K
Y
L
-
P
K
L
A
S
G
-
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
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A
T
L
S
E
D
G
K
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
V
---
D
G
E
--------------
H
----
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
I
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
------------
Y
R
T
--
V
G
L
I
D
E
-------------
A
L
LGKKG
P
E
A
V
M
A
G
I
-----
E
E
Y
A
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
S
----------
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
P
----
G
M
L
L
R
R
A
E
P
E
D
-------------------------------------------------
L
E
L
H
Q
V
Q
N
L
K
K
L
A
L
----
M
-
V
A
G
L
A
V
Q
--
K
Y
G
Q
G
V
E
E
E
Q
E
V
L
G
A
V
A
D
I
L
I
D
A
Y
A
A
E
S
A
L
L
R
A
R
-
R
L
--------
G
G
L
A
P
V
L
A
R
I
Y
L
A
Q
A
L
D
R
A
Q
--------------------
A
G
A
L
S
V
----
L
P
-----
R
L
V
E
------
G
D
E
A
R
V
V
Y
S
A
A
R
R
L
T
K
R
E
P
G
----------
D
L
V
A
L
R
R
Q
A
A
E
A
V
L
E
A
G
G
Y
P
I
P
R
-
31
PsiBlast_CBE
78.34
34%
-72
- C2 -
2D29
2
?
B:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
KA
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
76.93
34%
-73
- C2 -
2CX9
1
?
B:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
KA
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
76.78
34%
-72
- C2 -
2CX9
1
?
A:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
K
A
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
76.71
34%
-71
- C2 -
1WS9
-
?
A:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
K
A
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
76.57
34%
-70
- C2 -
2D29
2
?
A:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
K
A
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
75.75
34%
-71
- C2 -
2CX9
2
?
D:
[7-386]
------------------------------------------------------
E
G
A
E
E
R
Q
V
L
G
P
-
F
R
E
----
F
L
KA
E
-
V
A
P
G
A
--
A
E
R
--
D
-
R
--
T
G
A
F
P
W
--
D
L
------
V
-
R
K
----------
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
S
T
R
L
F
A
R
M
V
E
A
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
-
L
-
A
T
G
H
-
I
L
-
L
A
-
G
S
E
A
Q
K
E
A
F
L
-
P
K
L
A
S
G
E
A
-
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
E
K
V
E
G
G
--
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
T
DPP
P
S
P
-
E
----
R
----
K
H
Q
G
----
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------------
L
K
A
--
A
E
L
K
D
A
-------------
G
R
-------------------
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
----------
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
----
R
R
L
L
E
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
75.62
29%
-71
- C2 -
3OWA
7
?
A:
[71-545]
----------------------------------------------------------------------------------------------------------------
L
-
K
E
----------
A
G
E
L
G
L
L
G
A
D
V
P
E
E
Y
G
G
I
G
L
D
K
V
S
S
----
A
L
I
A
E
K
F
S
R
A
G
G
F
A
I
T
H
G
A
H
V
-
G
I
G
S
L
P
I
V
L
F
-
G
N
E
E
Q
K
K
K
Y
L
-
P
L
L
A
T
G
E
K
-
L
A
A
Y
A
L
T
E
P
G
S
G
S
D
A
L
G
A
K
T
T
A
R
L
N
A
E
G
T
H
Y
V
L
N
G
E
K
Q
W
I
T
N
S
A
F
A
D
V
F
I
V
Y
A
K
I
-------
D
----
G
----
E
H
------
F
S
A
F
I
V
E
K
D
Y
A
G
V
S
T
S
P
E
E
K
K
M
G
I
K
C
S
S
T
R
T
L
I
L
E
D
A
L
V
P
K
E
N
L
L
G
E
I
G
K
G
H
I
I
A
F
N
I
L
N
I
G
R
Y
K
L
G
V
G
T
V
G
S
A
K
R
A
V
E
I
S
A
Q
Y
A
N
Q
R
Q
Q
F
K
Q
P
I
A
R
F
P
L
I
Q
E
K
L
A
N
M
A
A
K
T
Y
A
A
E
S
S
V
Y
R
T
V
G
L
F
E
S
R
M
S
T
L
S
--
E
E
E
V
K
D
-------------
G
K
A
V
A
A
S
I
------------
A
E
Y
A
I
E
C
S
L
N
K
V
F
G
S
E
V
L
D
Y
T
V
D
E
G
V
Q
I
H
G
G
Y
G
F
M
A
----------
E
Y
E
I
E
R
M
Y
R
D
S
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
I
V
P
G
T
F
L
R
K
A
M
K
G
E
L
P
-----------
L
L
Q
K
A
Q
K
L
Q
E
E
---
L
M
M
M
---
E
V
---
G
D
E
P
L
A
L
Q
---------
K
Y
L
V
N
N
A
K
K
I
G
----
L
-
M
V
-
A
G
L
A
A
Q
K
Y
G
K
A
L
D
K
E
Q
E
I
L
V
N
I
A
D
I
V
S
N
L
Y
A
M
E
S
A
V
L
R
T
E
K
A
I
K
T
T
-
G
L
E
K
N
K
Q
K
V
L
Y
T
E
V
F
C
Q
E
A
F
N
E
I
E
--------------------
A
--------------------------------------------------------------------------------
84
HHSearch
72.72
28%
-76
- C2 -
1RX0
8
ACAD8_HUMAN
A:
[20-392]
-------------------------------------------------------
N
E
E
Q
K
E
F
Q
K
V
-
A
F
D
----
F
A
--
A
R
E
M
A
P
N
M
A
E
-
W
--
D
-
Q
--
K
E
L
F
P
V
--
D
V
------
M
-
R
K
----------
A
A
Q
L
G
F
G
G
V
Y
I
Q
T
D
V
G
G
S
G
L
S
R
L
D
T
S
V
I
F
E
A
L
A
T
G
C
T
S
T
T
A
Y
I
S
I
H
N
M
-
C
--
A
-
W
-
M
I
D
S
F
-
G
N
E
E
Q
R
H
K
F
C
-
P
P
L
C
T
M
-
E
K
F
A
S
Y
C
L
T
E
P
G
S
G
S
D
A
A
S
L
L
T
S
A
K
K
Q
--
G
D
H
Y
I
L
N
G
S
K
A
F
I
S
G
A
G
E
S
D
I
Y
V
V
M
C
R
T
---
G
G
P
-----------
G
P
K
G
----
I
S
C
I
V
V
E
K
G
T
P
G
L
S
F
G
K
K
E
K
K
V
G
W
N
S
Q
P
T
R
A
V
I
F
E
D
C
A
V
P
V
A
N
R
I
G
S
E
G
Q
G
F
L
I
A
V
R
G
L
N
G
G
R
I
N
I
A
S
C
S
L
G
A
A
H
A
S
V
I
L
T
R
D
H
L
N
V
R
K
Q
F
G
E
P
L
A
S
N
Q
Y
L
Q
F
T
L
A
D
M
A
T
R
L
V
A
A
R
L
M
V
------------
R
N
A
--
A
V
A
L
Q
E
-------------
E
R
------------------
K
D
A
V
A
L
C
S
M
A
K
L
F
A
T
D
E
C
F
A
I
C
N
Q
A
L
Q
M
H
G
G
Y
G
Y
L
----------
K
D
Y
A
V
Q
Q
Y
V
R
D
S
R
V
H
Q
I
L
E
G
S
N
E
V
M
R
I
L
I
S
----
R
S
L
L
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
72.67
38%
-73
- C2 -
4N5F
10
?
A:
[43-384]
-------------------------------------------------------------------------------------------------
A
H
L
P
D
--
A
I
------
V
-
A
Q
----------
L
G
E
L
G
L
L
G
M
I
V
P
Q
E
L
G
G
S
Y
T
D
Y
V
A
Y
A
L
A
M
E
E
V
A
A
G
D
A
A
C
A
T
M
M
S
V
H
N
S
-
V
-
G
C
G
--
P
I
L
G
F
-
G
T
P
A
Q
K
D
R
W
L
-
A
D
M
A
A
G
R
V
-
I
G
A
F
C
L
T
E
P
H
A
G
S
E
A
N
N
L
R
T
R
A
E
-
L
R
D
G
Q
-
W
V
L
N
G
A
K
Q
F
V
T
N
G
Q
R
A
G
V
A
I
V
F
A
M
T
---
D
P
E
-
A
----
G
----
K
R
G
-----
I
S
A
F
L
V
P
T
D
T
P
G
F
I
V
G
K
P
E
K
K
M
G
I
R
A
S
D
T
C
P
I
T
F
E
N
C
A
I
P
E
D
N
L
L
G
N
R
G
E
G
L
K
I
A
L
S
N
L
E
G
G
R
I
G
I
A
A
Q
A
L
G
I
A
R
A
A
F
D
K
A
R
R
Y
A
G
E
R
V
Q
F
G
K
P
I
A
E
H
Q
A
I
Q
Q
K
L
A
D
M
A
V
Q
I
N
A
A
R
L
L
V
------------
H
H
A
--
A
K
L
R
T
A
-------------
G
L
------------------
P
C
L
S
-
E
A
S
Q
A
K
L
F
A
S
E
M
A
E
R
V
C
S
D
A
I
Q
I
H
G
G
Y
G
Y
L
V
----------
D
Y
E
V
E
R
H
Y
R
D
A
R
I
T
Q
I
Y
E
G
T
S
E
V
Q
R
M
V
I
A
----
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
HHSearch
70.46
26%
-76
- C2 -
4IRN
3
?
A:
[39-414]
-----------------------------------------------------
A
W
N
S
Q
Q
I
Q
F
R
K
K
-
V
I
Q
----
F
A
--
Q
Q
S
L
I
S
D
L
I
K
-
N
--
D
-
K
--
E
E
I
F
N
R
--
D
A
------
W
-
Q
K
----------
C
S
E
F
G
V
H
G
W
P
I
P
A
R
Y
G
G
Q
E
L
D
I
L
T
T
A
Y
A
L
Q
G
L
G
Y
G
C
K
D
N
G
L
I
F
A
M
N
A
H
-
I
W
A
C
E
M
-
P
L
L
T
F
-
G
T
E
E
Q
K
E
K
Y
L
-
P
L
L
C
R
G
-
G
W
I
A
S
H
A
A
T
E
P
Q
A
G
S
D
I
Y
S
L
K
T
T
A
Q
K
D
--
G
D
K
Y
I
L
N
G
Y
K
H
Y
V
T
N
G
T
I
A
D
L
F
I
I
F
A
T
I
---
D
P
S
------
L
----
G
K
E
G
----
L
T
T
F
M
I
E
K
D
T
P
G
L
I
L
S
K
P
I
S
K
M
G
M
R
T
A
E
V
P
E
L
R
L
E
N
C
E
V
S
A
A
N
R
L
G
E
E
G
T
G
L
A
I
F
N
H
S
M
E
W
E
R
G
F
I
L
A
A
A
V
G
T
M
E
R
L
L
E
Q
S
I
R
Y
A
R
S
H
K
Q
F
G
Q
A
I
G
K
F
Q
L
V
A
N
K
L
V
E
M
K
L
R
L
E
N
A
K
A
Y
L
------------
Y
K
V
--
A
W
M
K
E
N
-------------
K
-------------------
Q
M
A
L
L
E
A
S
M
A
N
L
Y
I
S
E
A
W
V
Q
S
C
L
E
A
I
E
I
H
G
A
Y
G
Y
L
----------
T
N
T
E
L
E
R
E
L
R
D
A
I
A
S
K
F
Y
S
G
T
S
E
I
Q
R
V
V
I
A
----
K
F
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
HHSearch
70.39
30%
-72
- C2 -
2PG0
2
?
A:
[11-383]
-------------------------------------------------------
R
E
E
H
H
M
F
R
A
A
-
F
R
K
----
F
L
--
E
K
E
A
Y
P
H
Y
N
D
-
W
--
E
-
K
--
R
G
I
I
P
R
--
S
F
------
W
-
A
K
----------
M
G
E
N
G
F
L
C
P
W
V
D
E
K
Y
G
G
L
N
A
D
F
A
Y
S
V
V
I
N
E
E
L
E
K
V
G
S
S
L
V
G
I
-
G
L
H
N
D
-
I
-
V
T
-
P
-
Y
I
A
S
Y
-
G
T
E
E
Q
K
Q
K
W
L
-
P
K
C
V
T
G
-
E
L
I
T
A
I
A
M
T
E
P
G
A
G
S
D
L
A
N
I
S
T
T
A
V
K
D
--
G
D
Y
Y
I
V
N
G
Q
K
T
F
I
T
N
G
I
H
A
D
L
I
V
V
A
C
K
T
---
D
P
Q
A
K
----
P
----
P
H
R
G
----
I
S
L
L
V
V
E
R
D
T
P
G
F
T
R
G
R
K
L
E
K
V
G
L
H
A
Q
D
T
A
E
L
F
F
Q
D
A
K
V
P
A
Y
N
L
L
G
E
E
G
K
G
F
Y
Y
L
M
E
K
L
Q
Q
E
R
L
V
V
A
I
A
A
Q
T
A
A
E
V
M
F
S
L
T
K
Q
Y
V
K
Q
R
T
A
F
G
K
R
V
S
E
F
Q
T
V
Q
F
R
L
A
E
M
A
T
E
I
A
L
G
R
T
F
V
------------
D
R
V
--
I
E
E
H
M
A
-------------
G
-------------------
K
Q
I
V
T
E
V
S
M
A
K
W
W
I
T
E
M
A
K
R
V
A
A
E
A
M
Q
L
H
G
G
Y
G
Y
M
----------
E
E
Y
E
I
A
R
R
Y
R
D
I
P
V
S
A
I
Y
A
G
T
N
E
M
M
K
T
I
I
A
----
R
Q
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
70.39
38%
-69
- C2 -
4M9A
1
?
B:
[40-384]
-------------------------------------------------------------------------------------------
D
-
R
--
E
S
H
L
P
D
--
E
V
------
V
-
A
Q
----------
M
G
E
L
G
F
L
G
M
I
V
P
A
D
W
G
G
S
Y
T
D
Y
V
A
Y
A
L
A
L
E
E
I
A
A
G
C
A
S
C
A
T
L
V
S
V
H
N
S
-
V
-
G
C
G
--
P
V
L
N
Y
-
G
T
T
E
Q
K
E
R
W
L
-
R
D
L
A
S
G
K
T
-
V
G
A
F
S
L
T
E
P
H
A
G
S
E
-
A
H
N
L
R
T
R
A
E
L
R
D
G
K
-
W
I
L
N
G
S
K
Q
F
V
T
N
G
A
R
A
G
L
A
I
V
F
A
M
T
---
D
P
D
-
E
----
G
----
K
R
G
-----
L
S
A
F
V
V
P
T
D
T
P
G
F
I
V
G
K
P
E
K
K
M
G
I
R
A
S
D
T
C
P
I
T
L
E
N
C
A
I
P
Q
E
N
L
L
G
K
R
G
E
G
L
K
I
A
L
S
N
L
E
G
G
R
I
G
I
A
A
Q
A
T
G
I
A
R
A
A
F
D
R
A
R
R
Y
A
R
E
R
V
Q
F
G
K
P
I
A
E
H
Q
A
I
A
E
K
L
A
N
M
A
T
Q
I
N
A
A
R
L
L
T
------------
H
H
A
--
A
R
L
R
T
A
-------------
G
L
------------------
P
C
L
S
-
E
A
S
Q
A
K
L
F
A
S
E
M
A
E
A
V
C
S
D
A
I
Q
I
H
G
G
Y
G
F
L
V
----------
D
Y
E
V
E
R
H
Y
R
D
A
R
I
T
Q
I
Y
E
G
T
S
E
V
Q
R
M
V
I
A
----
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
70.37
32%
-73
- C2 -
1JQI
4
ACADS_RAT
B:
[23-379]
-----------------------------------------------------------------------------
D
-
F
A
E
K
E
--
L
-
V
--
P
-
I
--
A
A
Q
L
D
K
--
E
H
LFPTSQ
V
-
K
K
----------
M
G
E
L
G
L
L
A
M
D
V
P
E
E
L
S
G
A
G
L
D
Y
L
A
Y
S
I
A
L
E
E
I
S
R
G
C
A
S
T
G
V
I
M
S
V
N
N
S
-
L
-
Y
L
G
P
-
I
L
K
F
--
G
S
S
Q
Q
K
Q
Q
W
I
T
P
F
T
N
G
D
-
K
-
I
G
C
F
A
L
S
E
P
G
N
G
S
D
A
G
A
A
S
T
T
A
R
--
E
E
G
D
S
W
V
L
N
G
T
K
A
W
I
T
N
S
W
E
A
S
A
T
V
V
F
A
S
T
---
D
R
S
-
R
----
Q
----
N
K
G
-----
I
S
A
F
L
V
P
M
P
T
P
G
L
T
L
G
K
K
E
D
K
L
G
I
R
A
S
S
T
A
N
L
I
F
E
D
C
R
I
P
K
E
N
L
L
G
E
P
G
M
G
F
K
I
A
M
Q
T
L
D
M
G
R
I
G
I
A
S
Q
A
L
G
I
A
Q
A
S
L
D
C
A
V
K
Y
A
E
N
R
H
A
F
G
A
P
L
T
K
L
Q
N
I
Q
F
K
L
A
D
M
A
---
L
A
L
E
S
A
R
------------
L
L
T
WR
A
A
M
L
K
D
-------------
N
K
------------------
K
P
F
T
K
E
S
A
M
A
K
L
A
A
S
E
A
A
T
A
I
S
H
Q
A
I
Q
I
L
G
G
M
G
Y
V
T
----------
E
M
P
A
E
R
Y
Y
R
D
A
R
I
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
69.23
37%
-74
- C2 -
2DVL
2
?
A:
[30-369]
-------------------------------------------------------------------------------------------
D
-
R
--
K
A
E
Y
P
W
--
P
Q
------
L
-
K
A
----------
L
A
E
L
G
L
L
G
M
T
T
P
E
E
W
G
G
V
G
L
D
S
V
T
W
A
L
A
L
E
E
L
A
A
A
D
P
S
V
A
V
I
V
S
V
--
T
-
S
-
G
L
P
Q
-
Y
M
L
L
R
F
G
S
E
A
Q
K
R
R
Y
L
-
V
P
L
A
R
G
-
E
W
I
G
A
F
C
L
T
E
P
Q
A
G
S
D
A
K
S
L
R
A
E
A
R
R
V
K
G
G
--
F
V
L
N
G
V
K
S
W
I
T
S
A
G
H
A
H
L
Y
V
V
M
A
R
T
---
E
K
---------------
G
----
I
S
A
F
L
V
E
K
G
T
P
G
L
S
F
G
R
P
E
E
K
M
G
L
H
A
A
H
T
A
E
V
R
L
E
E
V
F
V
P
E
E
N
L
L
G
E
E
G
R
G
L
A
Y
A
L
A
G
L
D
S
G
R
V
G
V
A
A
Q
A
V
G
I
A
R
G
A
F
E
I
A
K
A
Y
A
E
E
R
E
Q
F
G
K
K
L
K
E
H
Q
A
I
A
F
K
I
A
D
M
H
V
K
I
A
A
A
R
A
L
V
------------
L
E
A
--
A
R
K
K
D
R
-------------
G
E
------------------
R
-
F
T
L
E
A
S
A
A
K
L
F
A
S
A
A
A
V
E
V
T
R
E
A
V
Q
V
L
G
G
Y
G
Y
----------
H
R
D
Y
R
V
E
R
Y
Y
R
D
A
K
V
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
----
R
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
67.80
37%
-68
- C2 -
2Z1Q
2
?
B:
[71-432]
--------------------------------------------------------------------------------------------------------------------------------
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
P
K
V
I
-
S
T
V
V
A
E
E
L
S
G
S
G
G
F
S
V
T
Y
G
A
H
T
S
-
I
-
G
T
L
--
P
L
V
Y
F
-
G
T
E
E
Q
K
R
K
Y
L
-
P
K
L
A
S
G
-
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
R
A
T
L
S
E
D
G
K
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
V
-------
D
----
G
----
E
H
------
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
I
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
------------
Y
R
T
--
V
G
L
I
D
E
A
L
LGKKG
P
E
A
V
M
A
G
I
------------------
E
E
Y
A
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
----------
S
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
66.97
37%
-69
- C2 -
2Z1Q
2
?
A:
[71-435]
--------------------------------------------------------------------------------------------------------------------------------
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
P
K
V
I
-
S
T
V
V
A
E
E
L
S
G
S
G
G
F
S
V
T
Y
G
A
H
T
S
-
I
-
G
T
L
--
P
L
V
Y
F
-
G
T
E
E
Q
K
R
K
Y
L
-
P
K
L
A
S
G
-
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
R
A
T
L
S
E
D
G
K
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
V
-------
D
----
G
----
E
H
------
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
I
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
------------
Y
R
T
--
V
G
L
I
D
E
A
L
LGKKG
P
E
A
V
M
A
G
I
------------------
E
E
Y
A
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
----------
S
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
66.68
37%
-72
- C2 -
2DVL
2
?
B:
[30-369]
-------------------------------------------------------------------------------------------
D
-
R
--
K
A
E
Y
P
W
--
P
Q
------
L
-
K
A
----------
L
A
E
L
G
L
L
G
M
T
T
P
E
E
W
G
G
V
G
L
D
S
V
T
W
A
L
A
L
E
E
L
A
A
A
D
P
S
V
A
V
I
V
S
V
--
T
-
S
-
G
L
P
Q
-
Y
M
L
L
R
F
G
S
E
A
Q
K
R
R
Y
L
-
V
P
L
A
R
G
-
E
W
I
G
A
F
C
L
T
E
P
Q
A
G
S
D
A
K
S
L
R
A
E
A
R
R
V
K
G
G
--
F
V
L
N
G
V
K
S
W
I
T
S
A
G
H
A
H
L
Y
V
V
M
A
R
T
---
E
K
---------------
G
----
I
S
A
F
L
V
E
K
G
T
P
G
L
S
F
G
R
P
E
E
K
M
G
L
H
A
A
H
T
A
E
V
R
L
E
E
V
F
V
P
E
E
N
L
L
G
E
E
G
R
G
L
A
Y
A
L
A
G
L
D
S
G
R
V
G
V
A
A
Q
A
V
G
I
A
R
G
A
F
E
I
A
K
A
Y
A
E
E
R
E
Q
F
G
K
K
L
K
E
H
Q
A
I
A
F
K
I
A
D
M
H
V
K
I
A
A
A
R
A
L
V
------------
L
E
A
--
A
R
K
K
D
R
-------------
G
E
------------------
R
-
F
T
L
E
A
S
A
A
K
L
F
A
S
A
A
A
V
E
V
T
R
E
A
V
Q
V
L
G
G
Y
G
Y
----------
H
R
D
Y
R
V
E
R
Y
Y
R
D
A
K
V
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
----
R
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
58.22
34%
-73
- C2 -
3SF6
13
?
A:
[35-305]
-------------------------------------------------------------------
R
E
----
I
R
--
D
-
T
V
R
-
S
--
V
-
V
--
Q
-
R
RI
K
P
H
I
A
S
--
W
Y
------
E
-
D
G
ELP
A
R
E
L
A
V
E
L
G
E
L
G
L
L
G
M
H
L
K
G
-
Y
G
C
A
G
M
S
A
V
A
Y
G
L
A
C
L
E
L
E
A
G
D
S
G
I
R
S
L
V
S
V
Q
G
S
-
L
-
A
M
-
Y
-
A
I
H
A
F
-
G
S
D
E
Q
K
D
Q
W
L
-
P
D
M
A
S
G
-
H
R
I
G
C
F
G
L
T
E
P
D
H
G
S
D
P
A
G
M
R
T
R
A
T
--
R
S
G
D
D
W
I
L
T
G
T
K
M
W
I
T
N
G
S
V
A
D
V
A
V
V
W
A
R
T
---
D
E
---------------
G
----
I
R
G
F
V
V
P
T
D
T
P
G
F
T
A
N
T
I
K
S
K
M
S
L
R
A
S
V
T
S
E
L
V
L
D
G
V
R
L
P
-
D
S
A
R
L
P
G
A
T
S
L
G
A
P
L
R
C
L
N
E
A
R
F
G
I
V
F
G
A
L
G
A
A
R
D
C
L
E
T
A
L
A
Y
A
C
S
R
E
Q
F
D
R
P
I
G
G
F
Q
L
T
Q
Q
K
L
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------