@TOME V3
(Feb 2022)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
3D Alignment Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
3D Alignment 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 Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
PDB Ligands
Affinity Score
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:
Sequence Alignment
Tab of Complexes
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : ACADV_HUMAN: (2020-01-31 )
MQAARMAASLGRQLLRLGGGSSRLTALLGQPRPGPARRPYAGGAAQLALDKSDSHPSDALTRKKPAKAESKSFAVGMFKGQLTTDQVFPYPSVLNEEQTQFLKELVEPVSRFFEEVNDPAKNDALEMVEETTWQGLKELGAFGLQVPSELGGVGLCNTQYARLVEIVGMHDLGVGITLGAHQSIGFKGILLFGTKAQKEKYLPKLASGETVAAFCLTEPSSGSDAASIRTSAVPSPCGKYYTLNGSKLWISNGGLADIFTVFAKTPVTDPATGAVKEKITAFVVERGFGGITHGPPEKKMGIKASNTAEVFFDGVRVPSENVLGEVGSGFKVAMHILNNGRFGMAAALAGTMRGIIAKAVDHATNRTQFGEKIHNFGLIQEKLARMVMLQYVTESMAYMVSANMDQGATDFQIEAAISKIFGSEAAWKVTDECIQIMGGMGFMKEPGVERVLRDLRIFRIFEGTNDILRLFVALQGCMDKGKELSGLGSALKNPFGNAGLLLGEAGKQLRRRAGLGSGLSLSGLVHPELSRSGELAVRALEQFATVVEAKLIKHKKGIVNEQFLLQRLADGAIDLYAMVVVLSRASRSLSEGHPTAQHEKMLCDTWCIEAAARIREGMAALQSDPWQQELYRNFKSISKALVERGGVVTSNPLGF
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...
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
Q
A
A
R
M
A
A
S
L
G
R
Q
L
L
R
LGG
G
S
S
R
L
T
A
L
LGQPRPGPARRPYAGGA
A
Q
L
A
LDKSDSHPSDALTRKKPAKAESK
S
F
A
V
G
M
FKGQLTTDQVFPY
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---VNDPA--K--
N
--
D
A
-
L
-
E
--
M
----
V
E
E
T
T
W
---
Q
G
L
K
---
E
LGA----FGLQV
P
S
ELGGVGLC
N
---
T
Q
Y
A
R
L
V
E
I
---
V
GMHDLGV
G
I
T
LGAHQSIGF
K
G
I
L
L
FGT
K
A
Q
K
E
KY
L
P
KL----ASG
E
T
V
A
A
F
C
L
TEPSSGSDAASIRTSAVPSPCG
K
Y
Y
T
LNG
S
K
L
W
ISNGG
L
A
D
I
F
T
V
F
AKTPVTDPAT
G
A
V
K
E
K
-
I
T
A
F
V
V
E
-----RGFGGITHGPPEKKMGIKASN
T
A
E
V
F
F
DGVRVP
S
E
N
V
L
G
EVGS
G
F
K
V
A
M
H
I
LNNGR
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
DHATN
R
T
Q
F
G
E
K
I
H
NF
G
L
I
Q
E
K
L
A
R
M
------
V
M
L
Q
Y
V
T
E
S
M
A
Y
M
VSANMDQG-------------A------------------TD
F
Q
I
E
A
A
I
S
---
K
I
FGSE
A
A
W
K
V
T
D
E
C
I
Q
I
MGGMGFMKEP
G
V
E
R
V
L
R
D
L
R
I
F
R
IFEG
T
N
D
I
L
R
L
F
V
A
L
Q
G
C
M
DKG
K
E
L
S
G
L
G
S
A
L
KNPFGNA
G
L
L
L
G
E
A
G
K
Q
L
R
R
RAGLGSGLSLSGLVHPELSRS
G
E
L
A
V
R
A
L
E
Q
F
A
T
----
V
V
E
-
A
K
L
I
K
H
KKGIV
N
E
Q
F
L
L
Q
R
L
ADG
A
I
D
L
Y
A
M
V
V
V
L
S
R
A
S
R
SLS-EGHP
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
LQ----SD
P
---------------
W
---------------
Q
Q
E
L
Y
R
N
F
K
---------------
S
I
S
K
A
L
V
ERGGVVTSNPLGF
21
Fugue
99.95
99%
-105
- C7 -
-
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
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
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
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
38
HHSearch
99.83
99%
-105
- C7 -
-
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
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
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
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
99.83
99%
-105
- C7 -
-
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
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
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
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
37
HHSearch
97.70
100%
-105
- C7 -
-
3B96
2
ACADV_HUMAN
A:
[1-587]
--------------------------------------------------------------------
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
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
1
PsiBlast_PDB
97.70
100%
-105
- C7 -
-
3B96
2
ACADV_HUMAN
A:
[1-587]
--------------------------------------------------------------------
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
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
23
Fugue
62.44
37%
-46
- C7 -
-
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
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
LLGKKGPEAVMAG
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
RLTKREPGDLVALRR
Q
A
A
E
A
V
L
E
A
G
G
Y
P
I
P
R
----
41
HHSearch
55.43
38%
-7
- C7 -
-
2Z1Q
2
?
B:
[21-576]
-------------------------------------------------------------------------------------
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
ER
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
LGKKGPEAVMAGI-----
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
LALM
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
SVLPRLVEGDEARVVYSAAR
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
-----
39
HHSearch
55.18
34%
6
- C7 -
-
3OWA
8
?
C:
[21-597]
--------------------------------------------------------------------------------
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
YL
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
STLSEEEVKDGKAVAASI
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
M
------
P
--
E
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
IAVE
N
G
D
MLRMMLSSLRKLTRH
T
---------------
P
L
N
V
I
P
K
K
R
---------------
E
I
A
A
K
I
L
E
D
E
R
Y
T
V
------
40
HHSearch
54.71
34%
5
- C7 -
-
3OWA
8
?
B:
[21-597]
--------------------------------------------------------------------------------
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
EF
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
STLSEEEVKDGKAVAASI
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
----------------------
M
------
P
--
E
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
IAVE
N
G
D
---------------
M
LRMMLSSLRKLTRHT
P
L
N
V
I
P
K
K
R
---------------
E
I
A
A
K
I
L
E
D
E
R
Y
T
V
------
13
PsiBlast_PDB
50.32
39%
-90
- C7 -
-
4N5F
2
?
A:
[53-384]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
48.36
40%
-80
- C7 -
-
2D29
2
?
A:
[47-380]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
D
-
P
P
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
48.29
40%
-79
- C7 -
-
1WS9
-
?
A:
[47-380]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
D
-
P
P
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
48.06
37%
-100
- C7 -
-
4U83
1
?
A:
[53-379]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
G
F
----
L
G
M
L
A
P
E
E
W
G
G
S
D
L
D
M
---
V
A
Y
A
L
A
L
E
E
---
I
A
A
G
D
G
A
C
S
T
I
V
S
V
H
S
S
V
G
C
M
P
I
L
R
F
G
T
E
D
Q
K
R
R
F
L
P
K
M
----
A
C
G
E
W
I
G
G
F
A
L
T
E
P
--------
L
K
T
R
A
R
L
D
--
G
D
H
Y
V
I
D
G
S
K
Q
F
I
T
S
G
K
N
G
N
V
V
I
V
F
A
---
V
T
D
P
A
A
G
--
K
K
G
-
I
S
A
F
I
V
P
-----
T
D
T
P
G
Y
E
V
M
S
V
E
H
K
L
G
Q
H
S
S
D
T
C
A
L
G
F
T
N
M
R
V
P
V
E
N
R
L
G
A
E
G
E
G
Y
K
I
A
L
A
N
L
E
G
G
R
I
G
I
A
A
Q
A
V
G
M
A
R
A
A
F
E
A
A
R
D
Y
A
R
E
R
I
T
F
G
K
P
I
I
E
H
Q
A
V
A
F
R
L
A
D
M
------
A
T
R
I
E
T
A
R
Q
M
V
L
H
A
A
A
L
R
E
A
G
-------------
K
------------------
P
C
L
-
T
E
A
S
M
A
---
K
L
V
A
S
E
M
A
E
Q
V
C
S
A
A
I
Q
I
H
G
G
Y
G
Y
L
A
D
Y
P
V
E
R
I
Y
R
D
V
R
V
C
Q
I
Y
E
G
T
S
D
V
Q
R
L
V
I
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
47.97
40%
-80
- C7 -
-
2CX9
-
?
A:
[47-380]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
D
-
P
P
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
47.51
35%
-75
- C7 -
-
3PFD
1
?
A:
[38-388]
--------------------------------------------------------------------------------------------------------------------
I
A
P
Y
A
A
E
---
V
D
E
K
A
--
R
------------------
F
P
E
E
A
L
---
A
A
L
N
---
S
S
G
F
----
S
A
I
H
V
P
E
E
Y
G
G
Q
G
A
D
S
---
V
A
T
C
I
V
I
E
E
---
V
A
R
V
D
C
S
A
S
L
-
I
P
A
V
N
K
L
G
T
M
G
L
I
L
R
G
S
E
E
L
K
K
Q
V
L
P
A
V
----
A
S
G
E
A
M
A
S
Y
A
L
S
E
R
E
A
G
S
D
A
A
S
M
R
T
R
A
V
A
D
--
G
D
D
W
I
L
N
G
S
K
C
W
I
T
N
G
G
K
S
T
W
Y
T
V
M
A
---
V
T
D
P
D
K
G
A
--
N
G
-
I
S
A
F
M
V
H
-----
K
D
D
E
G
F
T
V
G
P
K
E
R
K
L
G
I
K
G
S
P
T
T
E
L
Y
F
E
N
C
R
I
P
G
D
R
I
I
G
E
P
G
T
G
F
K
T
A
L
A
T
L
D
H
T
R
P
T
I
G
A
Q
A
V
G
I
A
Q
G
A
L
D
A
A
I
A
Y
T
K
E
R
K
Q
F
G
R
P
V
S
D
N
Q
G
V
Q
F
M
L
A
D
M
------
A
M
K
I
E
A
A
R
L
M
V
Y
S
A
A
A
R
A
E
R
G
-----------------------------------
G
F
I
S
A
A
S
---
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
L
F
G
G
Y
G
Y
T
Q
D
F
P
V
E
R
M
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
Q
I
Q
R
V
V
M
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
Fugue
43.78
21%
8
- C7 -
-
4Y9J
4
ACD11_CAEEL
A:
[1-592]
---------------------------
T
I
T
A
R
H
T
Q
Y
S
H
A
K
T
G
G
F
S
Q
T
G
P
T
L
H
N
P
Y
K
D
D
P
I
L
D
R
T
L
R
R
L
------
L
P
E
S
E
Y
M
R
V
A
A
D
L
S
K
F
G
D
R
-
I
T
S
E
V
E
H
-------
L
G
R
Q
A
E
L
E
Q
P
R
L
E
H
Q
---
D
A
W
G
K
--
R
--
V
--
D
K
-
L
-
I
--
V
----
C
N
E
--
W
---
H
K
L
K
---
Q
I
C
A
EEGV
I
S
I
G
Y
E
D
S
V
D
P
F
V
R
R
I
---
H
Q
V
A
K
L
F
L
F
SPS
A
G
L
V
S
C
P
M
A
M
T
D
G
A
V
K
T
L
T
S
L
N
--
L
Y
G
K
H
K
L
A
T
E
A
V
D
R
L
RSRD
P
S
K
A
W
T
S
G
Q
W
M
T
E
K
K
G
G
S
D
V
A
G
G
C
D
T
Y
A
V
Q
I
D
K
D
T
Y
R
L
H
G
Y
K
W
F
S
S
A
V
D
-
A
D
V
A
L
T
L
A
R
I
V
D
S
D
G
N
A
L
E
G
S
R
G
-
L
S
L
F
L
L
K
IRDES
G
N
L
N
G
I
Q
M
V
R
L
K
N
K
L
G
T
K
Q
L
P
T
A
E
L
L
L
D
G
A
I
A
---
E
R
I
G
D
Q
G
R
G
V
A
G
I
S
N
M
L
N
I
T
R
I
H
N
A
V
A
S
L
G
Y
M
R
R
I
I
S
L
A
R
D
Y
S
T
K
R
V
V
F
G
Q
T
Q
S
K
W
P
L
H
T
T
T
L
A
K
M
EVDTRG
S
M
L
L
L
F
E
A
A
R
L
L
G
L
S
E
A
G
K
S
S
-------------
D
------------------
V
E
A
M
M
L
R
L
I
T
PVL
K
L
Y
A
G
K
Q
A
V
P
M
V
S
E
G
I
E
C
F
G
G
Q
G
Y
M
E
D
T
G
L
P
T
L
L
R
D
A
Q
V
T
P
I
W
E
G
T
T
N
V
L
S
L
D
V
L
R
V
F
---
S
G
K
E
-------------
N
I
L
L
A
F
G
K
R
V
E
Q
L
L
G
N
T
K
T
E
D
---------
E
K
L
K
K
S
K
E
A
V
E
S
A
L
K
Q
L
Q
K
----
L
L
V
-
K
A
S
D
S
A
I
Q
G
E
T
R
I
D
S
V
A
R
H
I
A
F
T
I
A
R
I
Y
S
G
A
L
L
I
D
H
A
S
D
S
-----
S
V
A
N
Q
S
D
I
E
V
A
Y
R
Y
C
C
E
------
Q
P
L
I
--------------------
D
L
R
----
W
E
W
---------------
F
---------------
A
S
E
R
V
K
A
D
R
---------------
E
I
V
F
D
N
F
T
------------
7
PsiBlast_PDB
43.78
44%
-82
- C7 -
-
1BUC
3
ACDS_MEGEL
A:
[72-372]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
I
L
A
V
E
E
---
L
A
K
Y
D
A
G
V
A
I
T
L
S
A
T
V
S
L
C
A
N
P
I
W
Q
F
G
T
E
A
Q
K
E
K
F
L
V
P
L
----
V
E
G
T
K
L
G
A
F
G
L
T
E
P
N
A
G
T
D
A
S
G
Q
Q
T
I
A
T
K
N
D
D
G
T
Y
-
T
L
N
G
S
K
I
F
I
T
N
G
G
A
A
D
I
Y
I
V
F
A
---
M
T
D
K
S
K
G
--
N
H
G
-
I
T
A
F
I
L
E
-----
D
G
T
P
G
F
T
Y
G
K
K
E
D
K
M
G
I
H
T
S
Q
T
M
E
L
V
F
Q
D
V
K
V
P
A
E
N
M
L
G
E
E
G
K
G
F
K
I
A
M
M
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
A
A
L
A
D
A
V
E
Y
S
K
Q
R
V
Q
F
G
K
P
L
C
K
F
Q
S
I
S
F
K
L
A
D
M
------
K
M
Q
I
E
A
A
R
N
L
V
Y
K
A
A
C
K
K
Q
E
G
-------------
K
------------------
P
-
F
T
V
D
A
A
I
A
---
K
R
V
A
S
D
V
A
M
R
V
T
T
E
A
V
Q
I
F
G
G
Y
G
Y
S
E
E
Y
P
V
A
R
H
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
E
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
43.73
37%
-19
- C7 -
-
2DVL
2
?
A:
[4-367]
---------------------------------------------------------------------------------------------------
T
Q
-------
E
Q
R
L
V
L
D
A
V
R
R
V
A
R
E
---
V
L
Y
P
L
--
A
--
P
--
E
--
Y
-
D
--
R
----
K
A
E
Y
P
W
---
P
Q
L
K
ALA
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
43.60
37%
-11
- C7 -
-
1UKW
2
?
A:
[5-373]
----------------------------------------------------------------------------------------------
L
T
E
E
Q
R
Q
LQALARR
F
A
K
E
V
I
L
P
V
A
Q
E
Y
D
E
---
K
--------------------------
E
E
V
P
W
PVI
E
K
L
H
---
E
V
G
L
----
L
N
A
I
I
P
E
E
Y
G
G
M
G
L
K
M
---
L
D
E
V
I
V
G
E
E
---
L
A
Y
A
C
M
G
I
-
Y
T
I
P
M
A
S
D
L
G
I
T
P
V
L
L
A
G
T
E
E
Q
K
E
R
F
L
R
P
L
----
T
E
K
P
A
L
A
A
F
A
L
S
E
P
G
N
G
S
D
A
A
A
L
K
T
R
A
I
R
Q
--
G
D
H
Y
V
L
N
G
T
K
M
W
I
S
N
G
G
E
A
E
W
V
V
V
F
A
---
T
V
N
P
E
---
L
R
H
K
G
V
V
A
L
V
V
E
-----
R
G
T
P
G
F
K
A
I
K
I
H
G
K
M
G
Q
R
A
S
G
T
Y
E
L
V
F
E
D
V
K
V
P
V
E
N
R
L
G
E
E
G
E
G
F
K
I
A
M
Q
T
L
N
K
T
R
I
P
V
A
A
G
S
V
G
V
A
R
R
A
L
D
E
A
R
K
Y
A
K
E
R
E
A
F
G
E
P
I
A
N
F
Q
A
I
Q
F
K
L
V
D
M
------
L
I
G
I
E
T
A
R
M
Y
T
Y
Y
A
A
W
L
A
D
Q
G
-------------
L
------------------
P
H
A
H
-
A
S
A
I
A
---
K
A
Y
A
S
E
I
A
F
E
A
A
N
Q
A
I
Q
I
H
G
G
Y
G
Y
V
R
E
F
P
V
E
K
L
L
R
D
V
K
L
N
Q
I
Y
E
G
T
N
E
I
Q
R
L
I
I
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
43.48
31%
-19
- C7 -
-
1RX0
12
ACAD8_HUMAN
D:
[12-389]
---------------------------------------------------------------------------------------
C
I
D
P
S
M
G
L
N
E
E
Q
K
E
-----------
F
Q
K
V
A
F
D
F
A
A
R
---
E
M
A
P
N
MA
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
42.01
37%
-6
- C7 -
-
4L1F
5
?
A:
[5-380]
----------------------------------------------------------------------------------------------
L
T
E
D
Q
-
Q
-------
M
I
K
D
M
A
---
A
E
F
A
E
K
---
F
L
A
P
T
VE
E
--
R
--
D
K
-
A
-
H
--
I
----
W
D
R
K
L
I
---
D
K
M
G
---
E
A
G
F
----
C
G
I
C
F
P
E
E
Y
G
G
M
G
L
D
V
---
L
S
Y
I
L
A
V
E
E
---
L
S
K
V
D
D
G
T
G
I
T
L
S
A
N
V
S
L
C
A
T
P
I
Y
M
F
G
T
E
E
Q
K
Q
K
Y
L
A
P
I
----
A
E
G
T
H
V
G
A
F
G
L
T
E
P
S
A
G
T
D
A
S
A
Q
Q
T
T
A
V
L
K
--
G
D
K
Y
I
L
N
G
S
K
I
F
I
T
N
G
K
E
A
D
T
Y
V
V
F
A
---
M
T
D
K
S
Q
G
V
--
H
G
-
I
S
A
F
I
L
E
-----
K
G
M
P
G
F
R
F
G
K
I
E
D
K
M
G
G
H
T
S
I
T
A
E
L
I
F
E
D
C
E
V
P
K
E
N
L
L
G
K
E
G
E
G
F
K
I
A
M
E
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
G
A
L
A
A
A
V
K
Y
S
K
E
R
E
Q
F
G
R
S
I
S
K
F
Q
A
L
Q
F
M
M
A
D
M
------
A
T
K
I
E
A
A
R
Y
L
V
Y
H
A
A
M
L
K
N
E
G
-------------
K
------------------
P
-
Y
S
E
A
A
A
M
A
---
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
I
F
G
G
Y
G
Y
T
V
D
Y
P
A
E
R
Y
M
R
N
A
K
I
T
Q
I
Y
E
G
T
N
Q
V
M
R
I
V
T
S
R
A
L
L
R
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
Fugue
39.81
38%
-1
- C7 -
-
1BUC
3
ACDS_MEGEL
A:
[1-383]
----------------------------------------------------------------------------------------------
M
D
F
N
L
T
D
-------
I
Q
Q
D
F
L
K
L
A
H
D
F
G
E
K
---
K
L
A
P
T
--
V
--
T
--
E
R
-
D
-
H
--
K
GIYD--
K
E
L
I
---
D
E
L
L
---
S
L
G
I
----
T
G
A
Y
F
E
E
K
Y
G
G
S
G
D
D
G
GDV
L
S
Y
I
L
A
V
E
E
---
L
A
K
Y
D
A
G
V
A
I
T
L
S
A
T
V
S
L
C
A
N
P
I
W
Q
F
G
T
E
A
Q
K
E
K
F
L
V
P
L
----
V
E
G
T
K
L
G
A
F
G
L
T
E
P
N
A
G
T
D
A
S
G
Q
Q
T
I
A
T
K
N
D
-
D
G
T
Y
T
L
N
G
S
K
I
F
I
T
N
G
G
A
A
D
I
Y
I
V
F
A
M
T
--
D
K
S
---
K
G
N
H
G
-
I
T
A
F
I
L
E
-----
D
G
T
P
G
F
T
Y
G
K
K
E
D
K
M
G
I
H
T
S
Q
T
M
E
L
V
F
Q
D
V
K
V
P
A
E
N
M
L
G
E
E
G
K
G
F
K
I
A
M
M
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
A
A
L
A
D
A
V
E
Y
S
K
Q
R
V
Q
F
G
K
P
L
C
K
F
Q
S
I
S
F
K
L
A
D
M
------
K
M
Q
I
E
A
A
R
N
L
V
Y
K
A
A
C
K
K
Q
E
G
--------------------------------
K
P
F
T
V
D
A
A
I
A
---
K
R
V
A
S
D
V
A
M
R
V
T
T
E
A
V
Q
I
F
G
G
Y
G
Y
S
E
E
Y
P
V
A
R
H
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
E
V
Q
L
M
V
T
G
G
A
L
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
37.96
34%
-3
- C7 -
-
3NF4
1
?
A:
[17-382]
---------------------------------------------------------------------------------------------------
S
Q
-------
E
A
A
E
L
I
E
L
T
R
E
I
A
D
K
---
V
L
D
P
I
VD
R
--
H
--
E
K
-
D
-
E
--
T
----
Y
P
E
G
V
F
---
E
Q
L
G
---
A
A
G
L
----
L
S
L
P
Q
P
E
E
W
G
G
G
G
Q
P
Y
---
E
V
Y
L
Q
V
L
E
E
---
I
A
A
R
W
A
S
V
A
V
A
V
S
V
H
-
S
L
S
S
H
P
L
L
V
F
G
T
E
E
Q
K
K
R
W
L
P
G
M
----
L
S
G
E
Q
I
G
A
Y
S
L
S
E
P
Q
A
G
S
D
A
A
A
L
R
C
A
A
T
P
T
D
G
G
--
Y
V
I
N
G
S
K
S
W
I
T
H
G
G
K
A
D
F
Y
T
L
F
A
R
T
---------
G
S
R
G
-
V
S
C
F
L
V
P
-----
A
D
Q
P
G
L
S
F
G
K
P
E
E
K
M
G
L
H
A
V
P
T
T
S
A
F
Y
D
N
A
R
I
D
A
D
R
R
I
G
E
E
G
Q
G
L
Q
I
A
F
S
A
L
D
S
G
R
L
G
I
A
A
V
A
T
G
L
A
Q
A
A
L
D
E
A
V
A
Y
A
N
E
------
K
I
I
D
H
-
G
L
G
F
L
L
A
D
M
------
A
A
A
V
A
T
A
R
A
T
Y
L
D
A
A
R
R
R
D
Q
G
--------------------------------
R
P
Y
S
Q
Q
A
S
I
A
---
K
L
T
A
T
D
A
A
M
K
V
T
T
D
A
V
Q
V
F
G
G
V
G
Y
T
R
D
Y
R
V
E
R
Y
M
R
E
A
K
I
M
Q
I
F
E
G
T
N
Q
I
Q
R
L
V
I
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
37.20
35%
-2
- C7 -
-
1JQI
4
ACADS_RAT
A:
[5-379]
-----------------------------------------------------------------------------------------
Y
Q
S
V
-
E
L
P
E
T
H
Q
-------
M
L
R
Q
----
T
C
R
D
F
A
E
KEL
V
P
I
A
A
--
Q
--
L
--
D
K
-
E
-
H
--
L
----
F
P
T
S
Q
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
W
R
-
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------