@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 : Rv3801c: (2016-05-23 )
MFVTGESGMAYHNPFIVNGKIRFPANTNLVRHVEKWAKVRGDKLAYRFLDFSTERDGVARDILWSDFSARNRAVGARLQQVTQPGDRVAILCPQNLDYLISFFGALYSGRIAVPLFDPAEPGHVGRLHAVLDDCAPSTILTTTDSAEGVRKFIRARSAKERPRVIAVDAVPTEVAATWQQPEANEETVAYLQYTSGSTRIPSGVQITHLNLPTNVVQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFMTPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAVRGVPRDDEPPLDLSNVKGILNGSEPVSPASMRKFFEAFAPYGLKQTAVKPSYGLAEATLFVSTTPMDEVPTVIHVDRDELNNQRFVEVAADAPNAVAQVSAGKVGVSEWAVIVDADTASELPDGQIGEIWLHGNNLGTGYWGKEEESAQTFKNILKSRISESRAEGAPDDALWVRTGDYGTYFKDHLYIAGRIKDLVIIDGRNHYPQDLECTAQESTKALRVGYAAAFSVPANQLPQTVFDDSHAGLKFDPEDTSEQLVIVGERAAGTHKLDHQPIVDDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGKIGRRACRAAYLDGSLRSGVGSPTVFATSD
Atome Classification :
(20 SA)
--------------------------------------------------.........10........20........30........40........50........60........70........-80-.-.......90........100.......110...-----....120.----......130.......140......---------.150.......160.....-----------------.-----.170..-----....-.180........190.......200.......210.......-220-....------...230.......240.......250..-......260..-.....270.......280.......290.......300.......310--.......320.......330.......340.......350.......360........370.......380.-.......390.......400.......410.......420.......430....--...440.......450.......460.......470.......480.-......490.......500.......510.....---..520.......530.......540..----.....550.......560.....-...570.......580.......590.......600.......610.......620.......630.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------------------------------------------
M
F
V
TGESG
M
A
YHN
P
F
I
VN
G
K
I
RFPAN
T
N
L
V
R
H
V
E
K
W
A
K
VRGDK
L
A
Y
R
F
LDFSTERD
G
V
A
R
D
I
L
WSDFSAR
N
R
A
V
G
A
R
L
Q
-
Q
V-T-QPG
D
R
V
A
I
LCPQ
N
L
D
Y
L
I
S
F
F
G
A
L
YSG
R
I
A
V
P
L-----FDPAEPGH----V
G
R
L
H
A
V
L
D
DCAPS
T
I
L
TTTD
S
A
E
G
---------
V
R
K
F
I
R
ARSAKERP
R
V
I
A
V
-----------------D-----AVP
T
E
V
-----
A
ATW-QQP-EANE
E
T
V
A
Y
L
Q
YTSGSTRIPSG
V
Q
I
T
H
LNL
P
T
N
V
V
Q
V
L
-
N
A
L-EGQE------GDRGVS
W
L
P
F
F
HD
M
G
L
I
T
V
L
L
A
S
V
L-GH-SFTFM
T
P
A
A
F
V-RRP
G
R
W
I
R
E
L
A
RKPGETGGTFSAAPNF
A
F
E
H
A
AVRGVPRDDEPPL
D
L
S
--
N
V
K
G
ILNGSEPV
S
P
A
S
M
R
K
F
F
E
A
FAPYGLKQTAVKPSYGL
A
E
A
T
L
F
V
S-TTPMDEV
P
T
V
I
H
V
D
R
D
ELNN
Q
-
R
-
F
V
E
V
AADAP
N
A
V
AQVSAGKVGV
S
E
W
A
V
I
V
DAD
T
A
SELPDGQ
I
G
E
I
W
L
HGNNLGT--GYWGK
E
E
E
S
A
Q
T
F
K
N
I
L
K
S
R
I
S
E
S
RAEGAPD
D
A
L
W
V
R
TGDY
G
T
Y
F
K
D-
H
L
Y
I
A
GR
I
K
D
L
V
I
IDGRNHYPQD
L
E
CTAQEST
K
A
---
L
R
V
G
Y
A
A
A
FSV
P
A
N
QL
P
Q
T
VFDDSHAG----
L
K
FDPEDTSE
Q
L
V
I
V
GE-RAAGT-HKLDHQP
I
V
D
D
I
R
A
A
I
AVGHG
V
T
V
R
D
V
L
L
V
SAGTIPRTSSG
K
I
G
R
R
A
C
R
A
A
YLDG
S
L
RSGVGSP
T
V
F
ATSD
61
Fugue
98.05
93%
-91
- C4 -
5EY9
5
FAA32_MYCMM
A:
[3-626]
------------------------------------------------------------
Y
H
N
P
F
I
V
N
G
K
I
R
F
P
E
N
T
N
L
V
R
H
V
E
K
W
A
R
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
E
R
D
I
L
W
S
E
F
S
A
R
N
R
A
V
G
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
I
A
I
L
C
P
Q
N
L
D
Y
L
I
S
F
F
G
A
L
Y
S
G
R
I
A
V
P
L
-----
F
D
P
A
E
--
H
----
V
G
R
L
H
A
V
L
D
D
C
T
P
S
T
I
L
T
T
T
D
S
A
E
G
---------
V
R
K
F
I
R
S
R
S
A
K
E
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
T
E
V
-----
A
S
T
W
-
Q
Q
P
---
N
E
L
T
T
A
Y
L
Q
Y
T
-----
V
P
S
G
V
Q
I
T
H
L
N
L
P
T
N
V
L
Q
V
L
-
N
A
L
-
E
G
Q
E
------
G
D
R
G
V
S
W
L
P
F
F
H
D
M
G
L
I
T
V
L
L
A
S
V
L
-
G
H
-
S
F
T
F
M
T
P
A
A
F
V
-
R
R
P
G
R
W
I
R
E
L
A
R
K
P
G
E
T
G
G
T
F
S
A
A
P
N
F
A
F
E
H
A
A
M
R
G
V
P
R
D
D
E
P
P
L
D
L
S
--
N
V
K
G
I
L
N
G
S
E
P
V
S
P
A
S
M
R
K
F
F
K
A
F
E
P
Y
G
L
R
E
T
A
V
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
M
D
E
V
P
T
V
I
H
V
D
R
D
E
L
N
K
Q
-
R
-
F
V
E
V
A
A
D
A
P
N
A
V
A
Q
V
S
A
G
K
V
G
V
D
E
W
A
V
I
V
D
T
E
T
A
S
E
L
P
D
G
Q
I
G
E
I
W
L
H
G
N
N
L
G
I
--
G
Y
W
G
K
E
E
E
S
A
Q
T
F
R
N
I
L
K
S
R
V
P
E
S
H
A
E
G
A
P
D
D
G
L
W
V
R
T
G
D
Y
G
T
Y
F
K
G
-
H
L
Y
I
A
G
R
I
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
T
A
Q
E
S
T
K
A
---
L
R
V
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
Q
K
V
F
D
D
P
H
A
G
----
L
S
F
D
P
E
D
T
S
E
Q
L
V
I
V
G
E
-
R
A
A
G
T
-
H
K
L
E
Y
Q
P
I
A
D
D
I
R
A
A
I
A
V
G
H
G
V
T
V
R
D
V
L
L
V
S
A
G
T
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
T
A
Y
I
D
G
S
L
R
S
-----
T
V
F
A
---
1
PsiBlast_PDB
98.05
93%
-91
- C4 -
5EY9
5
FAA32_MYCMM
A:
[3-626]
------------------------------------------------------------
Y
H
N
P
F
I
V
N
G
K
I
R
F
P
E
N
T
N
L
V
R
H
V
E
K
W
A
R
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
E
R
D
I
L
W
S
E
F
S
A
R
N
R
A
V
G
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
I
A
I
L
C
P
Q
N
L
D
Y
L
I
S
F
F
G
A
L
Y
S
G
R
I
A
V
P
L
-----
F
D
P
A
E
--
H
----
V
G
R
L
H
A
V
L
D
D
C
T
P
S
T
I
L
T
T
T
D
S
A
E
G
---------
V
R
K
F
I
R
S
R
S
A
K
E
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
T
E
V
-----
A
S
T
W
-
Q
Q
P
---
N
E
L
T
T
A
Y
L
Q
Y
T
-----
V
P
S
G
V
Q
I
T
H
L
N
L
P
T
N
V
L
Q
V
L
-
N
A
L
-
E
G
Q
E
------
G
D
R
G
V
S
W
L
P
F
F
H
D
M
G
L
I
T
V
L
L
A
S
V
L
-
G
H
-
S
F
T
F
M
T
P
A
A
F
V
-
R
R
P
G
R
W
I
R
E
L
A
R
K
P
G
E
T
G
G
T
F
S
A
A
P
N
F
A
F
E
H
A
A
M
R
G
V
P
R
D
D
E
P
P
L
D
L
S
--
N
V
K
G
I
L
N
G
S
E
P
V
S
P
A
S
M
R
K
F
F
K
A
F
E
P
Y
G
L
R
E
T
A
V
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
M
D
E
V
P
T
V
I
H
V
D
R
D
E
L
N
K
Q
-
R
-
F
V
E
V
A
A
D
A
P
N
A
V
A
Q
V
S
A
G
K
V
G
V
D
E
W
A
V
I
V
D
T
E
T
A
S
E
L
P
D
G
Q
I
G
E
I
W
L
H
G
N
N
L
G
I
--
G
Y
W
G
K
E
E
E
S
A
Q
T
F
R
N
I
L
K
S
R
V
P
E
S
H
A
E
G
A
P
D
D
G
L
W
V
R
T
G
D
Y
G
T
Y
F
K
G
-
H
L
Y
I
A
G
R
I
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
T
A
Q
E
S
T
K
A
---
L
R
V
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
Q
K
V
F
D
D
P
H
A
G
----
L
S
F
D
P
E
D
T
S
E
Q
L
V
I
V
G
E
-
R
A
A
G
T
-
H
K
L
E
Y
Q
P
I
A
D
D
I
R
A
A
I
A
V
G
H
G
V
T
V
R
D
V
L
L
V
S
A
G
T
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
T
A
Y
I
D
G
S
L
R
S
-----
T
V
F
A
---
21
PsiBlast_CBE
97.66
93%
-90
- C4 -
5EY9
4
FAA32_MYCMM
B:
[3-625]
------------------------------------------------------------
Y
H
N
P
F
I
V
N
G
K
I
R
F
P
E
N
T
N
L
V
R
H
V
E
K
W
A
R
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
E
R
D
I
L
W
S
E
F
S
A
R
N
R
A
V
G
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
I
A
I
L
C
P
Q
N
L
D
Y
L
I
S
F
F
G
A
L
Y
S
G
R
I
A
V
P
L
-----
F
D
P
A
E
--
H
----
V
G
R
L
H
A
V
L
D
D
C
T
P
S
T
I
L
T
T
T
D
S
A
E
G
---------
V
R
K
F
I
R
S
R
S
A
K
E
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
T
E
V
-----
A
S
T
W
-
Q
Q
P
-
E
A
N
E
L
T
T
A
Y
L
Q
Y
T
-----
V
P
S
G
V
Q
I
T
H
L
N
L
P
T
N
V
L
Q
V
L
-
N
A
L
-
E
G
Q
E
------
G
D
R
G
V
S
W
L
P
F
F
H
D
M
G
L
I
T
V
L
L
A
S
V
L
-
G
H
-
S
F
T
F
M
T
P
A
A
F
V
-
R
R
P
G
R
W
I
R
E
L
A
R
K
P
G
E
T
G
G
T
F
S
A
A
P
N
F
A
F
E
H
A
A
M
R
G
V
P
R
D
D
E
P
P
L
D
L
S
--
N
V
K
G
I
L
N
G
S
E
P
V
S
P
A
S
M
R
K
F
F
K
A
F
E
P
Y
G
L
R
E
T
A
V
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
M
D
E
V
P
T
V
I
H
V
D
R
D
E
L
N
K
Q
-
R
-
F
V
E
V
A
A
D
A
P
N
A
V
A
Q
V
S
A
G
K
V
G
V
D
E
W
A
V
I
V
D
T
E
T
A
S
E
L
P
D
G
Q
I
G
E
I
W
L
H
G
N
N
L
G
I
--
G
Y
W
G
K
E
E
E
S
A
Q
T
F
R
N
I
L
K
S
R
V
P
E
S
H
A
E
G
A
P
D
D
G
L
W
V
R
T
G
D
Y
G
T
Y
F
K
G
-
H
L
Y
I
A
G
R
I
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
T
A
Q
E
S
T
K
A
---
L
R
V
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
Q
K
V
F
D
D
P
H
A
G
----
L
S
F
D
P
E
D
T
S
E
Q
L
V
I
V
G
E
-
R
A
A
G
T
-
H
K
L
E
Y
Q
P
I
A
D
D
I
R
A
A
I
A
V
G
H
G
V
T
V
R
D
V
L
L
V
S
A
G
T
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
T
A
Y
I
D
G
S
L
R
------
T
V
F
----
3
PsiBlast_PDB
94.01
75%
-90
- C4 -
5D6J
2
?
A:
[1-619]
----------------------------------------------------------
M
P
F
H
N
P
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
G
A
-
H
K
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
G
-----------
37
HHSearch
93.82
76%
-89
- C4 -
5D6J
2
?
A:
[4-618]
-------------------------------------------------------------
H
N
P
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
V
N
P
D
-
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
G
A
-
H
K
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
------------
23
PsiBlast_CBE
93.73
75%
-91
- C4 -
5EY8
2
?
F:
[6-619]
---------------------------------------------------------------
P
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
---
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
------
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
G
-----------
26
PsiBlast_CBE
93.16
75%
-90
- C4 -
5EY8
1
?
C:
[5-618]
--------------------------------------------------------------
N
P
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
--
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
----
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
G
----
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
------------
25
PsiBlast_CBE
92.72
75%
-89
- C4 -
5EY8
1
?
D:
[7-618]
----------------------------------------------------------------
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
--
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
-
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
-------
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
------------
4
PsiBlast_PDB
92.47
75%
-87
- C4 -
5ICR
3
?
A:
[27-639]
----------------------------------------------------------------
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
---
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
---------------
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
----
K
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
G
-----------
24
PsiBlast_CBE
92.41
75%
-91
- C4 -
5EY8
2
?
E:
[12-616]
---------------------------------------------------------------------
Q
I
K
F
P
----
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
--
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
--
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
------
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
--------------
2
PsiBlast_PDB
91.88
75%
-90
- C4 -
5EY8
1
?
A:
[11-616]
--------------------------------------------------------------------
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
---
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
P
------
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
--------------
27
PsiBlast_CBE
91.80
75%
-94
- C4 -
5EY8
1
?
B:
[12-617]
---------------------------------------------------------------------
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
---
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
--
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
-
Q
L
V
I
V
A
E
-
R
-------
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
-------------
22
PsiBlast_CBE
91.59
75%
-91
- C4 -
5EY8
1
?
H:
[10-619]
-------------------------------------------------------------------
D
G
Q
I
K
F
----
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
-
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
--
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
--
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
--
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
--
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
R
V
K
D
L
V
I
I
D
G
R
N
H
Y
P
Q
D
L
E
Y
S
A
Q
E
A
S
K
A
---
I
R
T
G
Y
V
A
A
F
S
V
P
A
N
Q
L
P
D
E
V
F
E
N
A
H
S
G
----
I
K
R
D
P
D
D
T
S
E
Q
L
V
I
V
A
E
-
R
A
--
A
-
H
K
L
D
I
G
P
I
T
D
D
I
R
A
A
I
A
V
R
H
G
V
T
V
R
D
V
L
L
T
A
A
G
A
I
P
R
T
S
S
G
K
I
G
R
R
A
C
R
A
A
Y
L
D
G
S
L
R
A
G
-----------
5
PsiBlast_PDB
83.39
74%
-88
- C4 -
5D6N
-
?
A:
[3-482]
------------------------------------------------------------
F
H
N
P
F
I
K
D
G
Q
I
K
F
P
D
G
S
S
I
V
A
H
V
E
R
W
A
K
V
R
G
D
K
L
A
Y
R
F
L
D
F
S
T
E
R
D
G
V
P
R
D
L
T
W
A
Q
F
S
A
R
N
R
A
V
A
A
R
L
Q
-
Q
V
-
T
-
Q
P
G
D
R
V
A
I
L
C
P
Q
N
L
D
Y
L
V
A
F
F
G
A
L
Y
A
G
R
I
A
V
P
L
-----
F
D
P
S
E
P
G
H
----
V
G
R
L
H
A
V
L
D
N
C
H
P
S
A
I
L
T
T
T
E
A
A
E
G
---------
V
R
K
F
F
R
T
R
P
A
N
Q
R
P
R
V
I
A
V
-----------------
D
-----
A
V
P
D
D
V
-----
A
S
T
W
-
V
N
P
D
E
P
D
E
T
T
I
A
Y
L
Q
Y
T
S
G
S
T
R
I
P
T
G
V
Q
I
T
H
L
N
L
A
T
N
V
V
Q
V
I
-
E
A
L
-
E
G
E
E
------
G
D
R
G
L
S
W
L
P
F
F
H
D
M
G
L
I
T
A
L
L
A
P
M
I
-
G
H
-
Y
F
T
F
M
T
P
A
A
F
V
-
R
R
P
E
R
W
I
R
E
L
A
R
K
E
G
D
T
G
G
T
I
S
V
A
P
N
F
A
F
D
H
A
A
A
R
G
V
P
K
P
G
S
P
P
L
D
L
S
--
N
V
K
A
V
L
N
G
S
E
P
I
S
A
A
T
V
R
R
F
N
E
A
F
G
P
F
G
F
P
P
K
A
I
K
P
S
Y
G
L
A
E
A
T
L
F
V
S
-
T
T
P
S
A
E
E
P
K
I
I
T
V
D
R
D
Q
L
N
S
G
-
R
-
I
V
E
V
D
A
D
S
P
K
A
V
A
Q
A
S
A
G
K
V
G
I
A
E
W
A
V
I
V
D
A
E
S
A
T
E
L
P
D
G
Q
V
G
E
I
W
I
S
G
Q
N
M
G
T
--
G
Y
W
G
K
P
E
E
S
V
A
T
F
Q
N
I
L
K
S
R
T
N
P
S
H
A
E
G
A
T
D
D
A
T
W
V
R
T
G
D
Y
G
A
F
Y
D
G
-
D
L
Y
I
T
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------
54
HHSearch
73.12
30%
-80
- C4 -
3KXW
1
?
A:
[9-571]
--------------------------------------------------------------------------
Q
C
Q
S
L
V
D
V
V
R
L
R
A
L
H
S
P
N
K
K
S
C
T
F
L
N
K
E
-----
L
E
E
T
M
T
Y
E
Q
L
D
Q
H
A
K
A
I
A
A
T
L
Q
-
A
E
G
A
-
K
P
G
D
R
V
L
L
L
F
A
P
G
L
P
L
I
Q
A
F
L
G
C
L
Y
A
G
C
I
A
V
P
I
-----
Y
P
P
A
Q
E
K
L
----
L
D
K
A
Q
R
I
V
T
N
S
K
P
V
I
V
L
M
I
A
D
H
I
K
K
---------
F
T
A
----
N
P
K
F
L
K
I
P
A
I
A
L
-----------------
E
-----
S
I
E
L
N
R
-----
S
S
S
W
-
Q
P
T
-
S
I
K
S
N
D
I
A
F
L
Q
Y
T
S
G
S
T
M
H
P
K
G
V
M
V
S
H
H
N
L
L
D
N
L
N
K
I
F
-
T
S
F
-
H
M
N
D
------
E
T
I
I
F
S
W
L
P
P
H
H
D
M
G
L
I
G
C
I
L
T
P
I
Y
G
G
I
-
Q
A
I
M
M
S
P
F
S
F
L
-
Q
N
P
L
S
W
L
K
H
I
T
K
Y
K
A
----
T
I
S
G
S
P
N
F
A
Y
D
Y
C
V
K
R
I
R
-
E
E
K
K
E
G
L
D
L
S
--
S
W
V
T
A
F
N
G
A
E
P
V
R
E
E
T
M
E
H
F
Y
Q
A
F
K
E
F
G
F
R
K
E
A
F
Y
P
C
Y
G
L
A
E
A
T
L
L
V
T
-
G
G
T
P
G
S
S
Y
K
T
L
T
L
A
K
E
Q
F
Q
D
H
-
R
-
V
H
F
A
D
D
N
S
P
G
S
Y
K
L
V
S
S
G
N
P
I
Q
--
E
V
K
I
I
D
P
D
T
L
I
P
C
D
F
D
Q
V
G
E
I
W
V
Q
S
N
S
V
A
K
--
G
Y
W
N
Q
P
E
E
T
R
H
A
F
A
G
K
I
K
D
D
------------
A
I
Y
L
R
T
G
D
L
G
F
L
H
E
N
-
E
L
Y
V
T
G
R
I
K
D
L
I
I
I
Y
G
K
N
H
Y
P
Q
D
I
E
F
S
L
M
H
-
S
P
L
HHV
L
G
K
--
C
A
A
F
V
I
Q
E
------------------------
E
H
E
Y
K
L
T
V
M
C
E
-
V
K
N
R
F
M
D
D
V
A
Q
D
N
L
F
N
E
I
F
E
L
V
Y
E
N
H
Q
L
E
V
H
T
I
V
L
I
P
L
K
A
M
P
H
T
T
S
G
K
I
R
R
N
F
C
R
K
H
L
L
D
K
T
L
P
-------------
7
PsiBlast_PDB
69.95
29%
-80
- C4 -
3KXW
1
?
A:
[43-570]
-----------------------------------------------------------------------------------------------------------------
Y
E
Q
L
D
Q
H
A
K
A
I
A
A
T
L
Q
A
E
G
-
A
-
K
P
G
D
R
V
L
L
L
F
A
P
G
L
P
L
I
Q
A
F
L
G
C
L
Y
A
G
C
I
A
V
P
I
-----
Y
P
P
A
Q
E
K
L
----
L
D
K
A
Q
R
I
V
T
N
S
K
P
V
I
V
L
M
I
A
D
H
------------
I
K
K
F
T
-
A
-----
N
P
K
F
L
K
I
-----------------
P
-----
A
I
A
L
E
S
IELNR
S
S
S
W
-
Q
P
T
-
S
I
K
S
N
D
I
A
F
L
Q
Y
T
S
G
S
T
M
H
P
K
G
V
M
V
S
H
H
N
L
L
D
N
L
N
K
I
F
-
T
S
F
-
H
M
N
D
------
E
T
I
I
F
S
W
L
P
P
H
H
D
M
G
L
I
G
C
I
L
T
P
I
Y
-
G
G
I
Q
A
I
M
M
S
P
F
S
F
L
-
Q
N
P
L
S
W
L
K
H
I
T
K
----
Y
K
A
T
I
S
G
S
P
N
F
A
Y
D
Y
-
C
V
K
R
I
R
E
E
K
K
E
G
L
D
L
S
--
S
W
V
T
A
F
N
G
A
E
P
V
R
E
E
T
M
E
H
F
Y
Q
A
F
K
E
F
G
F
R
K
E
A
F
Y
P
C
Y
G
L
A
E
A
T
L
L
V
T
G
G
T
P
G
S
S
Y
K
T
L
T
-
L
A
K
E
Q
F
Q
D
H
-
R
-
V
H
F
A
D
D
N
S
P
G
S
Y
K
L
V
S
S
G
N
-
P
I
Q
E
-
V
K
I
I
D
P
D
T
L
I
P
C
D
F
D
Q
V
G
E
I
W
V
Q
S
N
S
V
A
K
--
G
Y
W
N
Q
P
E
E
T
R
H
A
F
A
G
K
I
K
---
D
D
---------
A
I
Y
L
R
T
G
D
L
G
F
L
H
E
N
-
E
L
Y
V
T
G
R
I
K
D
L
I
I
I
Y
G
K
N
H
Y
P
Q
D
I
E
F
S
L
M
H
S
P
L
H
---
H
V
L
G
K
C
A
A
F
V
I
------------------------
Q
E
E
H
E
Y
K
L
T
V
M
C
E
V
K
N
R
F
M
-
D
D
V
A
Q
D
N
L
F
N
E
I
F
E
L
V
Y
E
N
H
Q
L
E
V
H
T
I
V
L
I
P
L
K
A
M
P
H
T
T
S
G
K
I
R
R
N
F
C
R
K
H
L
L
D
K
T
L
--------------
8
PsiBlast_PDB
69.31
30%
-73
- C4 -
3PBK
1
?
A:
[37-560]
---------------------------------------------------------------------------------------------------
N
F
Y
D
R
R
C
Q
L
E
D
Q
L
E
Y
Q
T
L
K
A
R
A
E
A
G
A
K
R
L
L
-
S
L
-
N
L
K
K
G
D
R
V
A
L
I
A
E
T
S
S
E
F
V
E
A
F
F
A
C
Q
Y
A
G
L
V
A
V
P
L
-----
A
I
P
M
G
V
G
Q
R
D
S
W
S
A
K
L
Q
G
L
L
A
S
C
Q
P
A
A
I
I
T
G
D
E
W
L
P
L
---------
V
N
A
-----
A
T
H
D
N
P
E
L
H
V
L
-----------------
S
H
A
W
F
K
A
L
P
-
E
A
-----
D
V
A
L
-
Q
R
P
-
V
P
N
D
--
I
A
Y
L
Q
Y
T
S
G
S
T
R
F
P
R
G
V
I
I
T
H
R
E
V
M
A
N
L
R
A
I
S
H
D
G
I
-
K
L
R
P
------
G
D
R
C
V
S
W
L
P
F
Y
H
D
M
G
L
V
G
F
L
L
T
P
V
A
-
T
Q
L
S
V
D
Y
L
R
T
Q
D
F
A
-
M
R
P
L
Q
W
L
K
L
I
S
K
----
N
R
G
T
V
S
V
A
P
P
F
G
Y
E
L
C
Q
-
R
R
V
N
E
K
D
L
A
E
L
D
L
S
CW
R
V
A
G
I
--
G
A
E
P
I
S
A
E
Q
L
H
Q
F
A
E
C
F
R
Q
V
N
F
D
N
K
T
F
M
P
C
Y
G
L
A
E
N
A
L
A
V
S
-
F
S
D
E
A
S
G
V
V
V
N
E
V
D
R
D
I
L
E
Y
Q
G
K
-
A
V
A
P
G
A
E
T
R
A
V
S
T
F
V
N
C
G
K
-
A
L
P
E
H
G
I
E
I
R
N
E
A
G
M
P
V
A
E
R
V
V
G
H
I
C
I
S
G
P
S
L
M
S
--
G
Y
F
G
D
Q
V
S
Q
------------
D
E
I
A
A
T
G
------
W
L
D
T
G
D
L
G
Y
L
L
D
G
-
Y
L
Y
V
T
G
R
I
K
D
L
I
I
I
R
G
R
N
I
W
P
Q
D
I
E
Y
I
A
E
Q
E
P
E
----
I
H
S
G
D
A
I
A
F
V
----------------------------
T
A
Q
E
K
I
I
L
Q
I
-
Q
C
R
I
S
-
D
E
E
R
R
G
Q
L
I
H
A
L
A
A
R
I
Q
S
E
F
G
V
T
A
A
-
I
D
L
L
P
P
H
S
I
P
R
T
S
S
G
K
P
A
R
A
E
A
K
K
R
Y
-------------------
6
PsiBlast_PDB
67.50
36%
-81
- C4 -
3T5A
-
FAA28_MYCTU
A:
[14-459]
--------------------------------------------------------------------------------------
A
R
L
Q
P
H
D
P
A
F
T
F
M
D
Y
E
Q
D
W
D
G
V
A
I
T
L
T
W
S
Q
L
Y
R
R
T
L
N
V
A
Q
E
L
S
-
R
C
-
G
-
S
T
G
D
R
V
V
I
S
A
P
Q
G
L
E
Y
V
V
A
F
L
G
A
L
Q
A
G
R
I
A
V
P
L
-----
S
V
P
Q
G
G
V
T
----
D
E
R
S
D
S
V
L
S
D
S
S
P
V
A
I
L
T
T
S
S
A
V
D
D
---------
V
V
Q
H
V
A
------
P
P
S
I
I
E
V
-----------------
D
-----
L
L
D
L
D
A
-----
P
----
T
F
K
-
E
D
E
Y
P
S
T
A
Y
L
Q
Y
T
------
P
A
G
V
V
M
S
H
Q
N
V
R
V
N
F
E
Q
L
M
-
S
G
Y
-
F
A
D
T
DGIPPP
N
S
A
L
V
S
W
L
P
F
Y
H
D
M
G
L
V
I
G
I
C
A
P
I
L
G
G
Y
-
P
A
V
L
T
S
P
V
S
F
L
-
Q
R
P
A
R
W
M
H
L
M
A
S
D
----
F
H
A
F
S
A
A
P
N
F
A
F
E
L
A
A
R
R
T
T
-
D
D
D
M
A
G
R
D
L
G
--
N
I
L
T
I
L
S
G
S
E
R
V
Q
A
A
T
I
K
R
F
A
D
R
F
A
R
F
N
L
Q
E
R
V
I
R
P
S
Y
W
L
A
E
A
T
V
Y
V
A
-
T
S
K
P
G
Q
P
P
E
T
V
D
F
D
T
E
S
L
S
A
G
-
H
-
A
K
P
C
A
G
G
G
A
T
S
L
I
S
Y
M
L
P
R
---
S
P
I
V
R
I
V
D
S
D
T
C
I
E
C
P
D
G
T
V
G
E
I
W
V
H
G
D
N
V
A
N
--
G
Y
W
Q
K
P
D
E
S
E
R
T
F
G
G
K
I
V
-----
T
P
S
P
G
T
P
E
G
P
-
W
L
R
T
G
D
S
G
F
V
T
D
G
-
K
M
F
I
I
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
65.90
24%
-69
- C4 -
4R0M
1
?
B:
[64-552]
--------------------------------------------------------------------------------------------------------------------------------
Q
-
K
G
-
I
-
K
L
G
H
K
V
I
L
Q
I
A
K
N
Q
D
F
I
P
A
L
W
A
C
F
L
G
G
I
I
P
V
P
L
T
VAPS
Y
D
-
L
E
N
S
A
----
V
K
K
L
E
N
V
W
K
I
L
D
N
P
L
I
L
S
D
S
E
L
I
T
E
---------
I
E
K
-
L
G
T
Y
S
H
L
E
G
W
Q
V
I
S
V
-----------------
N
-----
E
L
R
K
A
P
-----
S
K
I
E
-
Q
L
P
-
I
L
D
P
Q
D
A
A
L
L
L
F
T
S
G
S
T
G
M
P
K
G
V
I
L
T
H
H
N
I
L
S
M
T
A
G
T
V
-
V
M
N
-
H
F
T
Q
------
Q
E
V
T
L
N
W
M
P
L
D
H
V
G
A
I
V
F
L
G
I
M
A
V
D
-
L
A
-
C
D
Q
I
H
V
P
M
E
L
V
L
R
Q
P
L
Q
W
L
-
E
L
I
Q
K
---
H
Q
V
S
I
S
W
S
P
N
F
A
F
S
-
L
I
N
Q
Q
A
E
E
L
K
H
V
S
Y
N
L
S
--
S
M
K
F
L
V
N
A
G
E
Q
V
S
V
K
T
I
R
L
F
L
E
I
L
E
K
H
Q
L
Q
E
R
A
I
K
P
A
F
G
M
T
E
S
C
S
G
I
T
-
W
S
A
--------
G
L
S
K
N
E
L
T
E
E
-
N
S
F
V
S
L
G
K
P
I
P
G
A
T
I
R
-------------
I
V
D
Q
E
N
-
N
P
L
P
E
R
E
I
G
R
L
Q
I
Q
G
N
S
V
T
K
--
G
Y
Y
N
N
N
E
L
N
Q
E
V
F
Q
------------
E
G
------
W
F
T
T
G
D
L
G
Y
L
S
K
G
-
E
L
F
I
T
G
R
E
K
Q
E
I
I
I
N
G
V
N
Y
F
A
H
E
-
L
E
T
T
I
E
E
L
E
G
---
V
K
V
S
Y
T
A
A
F
A
---------
V
F
D
Q
S
R
E
T
D
L
L
I
I
T
F
S
P
E
--
S
E
Q
F
----
E
-
Q
G
I
---------
K
V
V
R
K
I
R
S
H
V
T
Q
K
F
G
I
A
P
A
Y
V
I
P
L
E
R
N
L
V
P
K
T
S
I
G
K
V
Q
K
S
K
L
K
K
D
F
E
Q
G
L
F
S
S
R
I
----------
65
Fugue
63.40
17%
-60
- C4 -
1PG4
7
ACSA_SALTY
A:
[5-647]
HKHAIP
A
N
I
A
D
RCLIN
P
E
Q
Y
E
T
K
Y
K
Q
S
I
N
D
P
D
T
F
W
G
E
Q
G
KILDWITPYQK
V
K
N
T
S
F
A
P
G
N
V
S
I
K
W
Y
E
D
G
T
L
N
L
A
A
N
C
-----
L
D
R
H
L
Q
E
N
G
D
R
T
A
I
I
W
E
---
G
D
D
T
S
Q
S
K
H
I
S
Y
R
E
L
H
R
D
V
C
R
F
A
N
T
L
L
-
D
L
G
I
-
K
K
G
D
V
V
A
I
Y
M
P
M
V
P
E
A
A
V
A
M
L
A
C
A
R
I
G
A
V
H
S
V
I
-----
F
G
G
F
---
S
----
P
E
A
V
A
G
C
I
I
D
S
S
S
R
L
V
I
T
A
D
E
G
V
R
A
G
R
S
I
P
L
K
K
N
V
D
D
A
L
K
N
P
N
V
T
S
V
E
H
V
I
V
L
KRTG
S
D
I
D
W
Q
E
GRDLW
W
R
-----
D
L
I
E
K
A
-----
S
P
E
H
-
Q
P
E
-
A
M
N
A
E
D
P
L
F
I
L
Y
T
S
G
S
T
G
K
P
K
G
V
L
H
T
T
G
G
Y
L
V
Y
A
A
T
T
F
-
K
Y
V
F
D
Y
H
P
------
G
D
I
Y
W
C
T
A
D
V
G
W
V
T
G
H
S
Y
L
L
Y
G
P
L
A
-
C
G
-
A
T
T
L
M
F
E
G
V
P
N
-
W
P
T
P
A
R
M
C
Q
V
V
D
K
H
Q
V
N
--
I
L
Y
T
A
P
T
A
I
R
A
L
M
A
E
---
G
D
K
A
I
E
G
T
D
R
S
--
S
L
R
I
L
G
S
V
G
E
P
I
N
P
E
A
W
E
W
Y
W
K
K
I
---
G
K
E
K
C
P
V
V
D
T
W
W
Q
T
E
T
G
G
F
M
I
-
T
P
----
L
P
G
A
I
E
L
K
A
G
-----------------------
S
A
T
R
P
F
F
G
V
Q
P
A
L
V
D
-
N
E
G
H
P
Q
E
G
A
T
E
G
N
L
V
I
T
D
S
W
P
G
Q
AR
T
L
F
G
D
H
E
R
F
E
Q
T
Y
F
S
T
F
K
N
M
---------------
Y
F
S
G
D
G
A
R
R
D
E
D
G
Y
Y
W
I
T
G
R
V
D
D
V
L
N
V
S
G
H
R
L
G
T
A
E
I
E
S
A
L
V
A
H
P
K
------
I
A
E
A
A
V
V
G
I
P
H
A
I
--------------------
K
G
Q
A
I
Y
A
Y
V
T
L
N
H
-
G
E
E
P
S
------
P
E
L
Y
A
E
V
R
N
W
V
R
K
E
I
G
P
L
A
T
P
D
V
L
H
W
T
D
S
L
P
K
T
R
S
G
K
I
M
R
R
I
L
R
K
I
A
A
G
D
A
D
P
G
V
V
E
K
L
L
E
E
K
Q
A
-