@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 : Wbm0773: (2015-12-04 )
MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
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.......640...------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---M
K
F
Q
L
V
T
H
FQPAGDQ
P
Q
A
I
D
S
L
V
A
GLNDN-KR
D
Q
V
L
L
G
-
V
TGSG
K
T
F
T
M
A
N
V
I
ARTN-R
P
--
A
L
I
I
AHN
K
T
--
L
A
A
Q
L
Y
E
E
M
K
G
FFP
H
---
N
A
V
E
Y
F
I
S
Y
----
Y
D
Y
YQPEAYLPQTDTYIE
K
D
S
V
I
N
E
R
I
D
M
L
R
Y
S
A
V
C
S
L
L
ERRD
T
I
V
V
A
S
V
S
-
C
I
YGLGSPE
S
Y
L
-
S
M
-
T
I
T
LSTG
D
R
I
R
I
N
D
F
L
N
D
L
A
N
L
Q
Y
KRSD
I
R
F
ER
G
Y
F
R
MRG
D
V
I
D
IFPAY-YEDK
A
W
R
L
L
L
IGNEIE
G
I
S
E
I
N
A
I
T
G
N
I
I
K
C
I
D
K
I
T
IFPNS
Y
H
I
T
S
R
E
T
L
L
R
A
V
Q
P
I
R
E
E
L
N
E
R
L
D
Y
Y
YSQNK
I
V
E
A
Q
R
L
E
Q
RTNF
D
I
E
M
M
V
ATGT-C-K-
G
I
E
N
Y
S
R
Y
L
YGMEAGDAP
P
T
L
F
E
YLPE
D
V
I
L
F
V
DESHVTVPQI
G
A
MYNG
N
E
S
R
K
K
K
L
I
D
-HGFRL
P
S
AFDNRP
L
K
F
K
E
W
ESM--R
P
Q
T
I
Y
I
S--ATPG
K
--
Y
E
L
ARTN
N
L
F
V
E
Q
VIRPTGITDP
I
C
I
VK-----PAE
A
Q
V
Y
D
V
V
H
E
A
Q
V
T
I
KR
G
F
-
C
------
V
L
I
T
T
L
T
K
K
M
A
E
K
L
A
E
H
M
S
E
L
N
M
K
V
S
Y
L
H
S
D
I
S
A
L
E
R
I
D
I
V
Y
K
LRSKE
I
D
V
L
I
G
V
N
L
L
REGLDIPEC
G
L
V
A
I
L
DAD--KEGFL
R
S
E
T
S
L
I
Q
T
I
G
R
A
AR-NAE------S
R
A
I
L
Y
A
DKVTG
S
M
D
R
A
L
K
E
T
E
R
R
R
K
K
Q
K
K
Y
S
V
L
H
N
V
L
P
K
T
I
I
K
P
I
S
N
T
L
KE
K
V
V
V
K
V
T
T
IGM
N
K
D
T
V
S
S
L
R
K
Q
M
L
A
H
AKNL
E
F
E
E
A
A
K
I
K
N
I
I
G
R
INNL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
97.23
54%
-101
- C5 -
2D7D
2
UVRB_BACSU
A:
[4-654]
----
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
-
K
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
R
D
-
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
--
M
H
N
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
-
E
M
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
-----
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
------
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
------
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
96.72
53%
-101
- C5 -
2D7D
2
UVRB_BACSU
A:
[4-654]
----
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
-
K
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
--
M
H
N
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
E
M
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
-----
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
------
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
------
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
96.31
53%
-101
- C5 -
2NMV
3
?
A:
[4-654]
----
R
F
E
L
V
-
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
-
K
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
--
M
H
N
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
E
M
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
-----
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
------
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
------
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
-----------------
K
K
E
R
Q
K
V
V
E
Q
M
E
H
E
M
K
E
A
A
K
A
L
D
F
E
R
A
A
E
L
R
D
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
92.67
53%
-99
- C5 -
1T5L
2
UVRB_BACCA
B:
[4-595]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
A
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
92.53
53%
-98
- C5 -
1T5L
2
UVRB_BACCA
A:
[4-595]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
A
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
91.88
54%
-98
- C5 -
3UWX
-
?
B:
[29-620]
----
R
F
Q
L
V
S
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
L
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
H
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
I
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
H
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
91.03
54%
-101
- C5 -
2FDC
2
UVRB_BACCA
B:
[4-593]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
D
F
R
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
--------
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
89.89
53%
-101
- C5 -
3V4R
2
?
B:
[10-595]
----
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
-
K
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
--------
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
--
M
H
N
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
E
M
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
-----
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
------
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
------
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
89.89
53%
-101
- C5 -
3V4R
2
UVRB_BACSU
A:
[10-596]
----
R
F
E
L
V
S
K
Y
Q
P
Q
G
D
Q
P
K
A
I
E
K
L
V
K
G
I
Q
E
G
-
K
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
V
S
N
L
I
K
E
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
F
K
E
F
F
P
N
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
F
I
E
K
D
A
S
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
I
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
M
-
V
V
S
L
R
T
E
M
E
I
E
R
N
E
L
L
R
K
L
V
D
I
Q
Y
A
R
N
D
I
D
F
Q
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
---
R
D
E
H
C
V
R
V
E
F
F
G
D
E
I
E
R
I
R
E
V
D
A
L
T
G
E
I
L
G
D
R
D
H
V
A
I
F
P
A
S
H
F
V
T
R
A
E
K
M
E
K
A
I
Q
N
I
E
K
E
L
E
E
Q
L
K
V
M
H
E
N
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
T
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
M
I
V
V
D
E
S
H
V
T
I
P
Q
V
R
G
M
F
N
G
D
Q
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
E
K
H
--
M
H
N
I
V
Y
V
S
--
A
T
P
G
P
--
Y
E
I
E
H
T
D
E
M
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
I
D
V
R
-----
P
I
E
G
Q
I
D
D
L
I
G
E
I
Q
A
R
I
E
R
N
E
-
R
------
V
L
V
T
T
L
T
K
K
M
S
E
D
L
T
D
Y
L
K
E
I
G
I
K
V
N
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
E
------
G
R
V
I
M
Y
A
D
K
I
T
K
S
M
E
I
A
I
N
E
T
K
R
R
R
E
Q
Q
E
R
F
N
E
E
H
G
I
T
P
K
T
I
N
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
Fugue
89.15
51%
-96
- C5 -
1D2M
4
UVRB_THET8
A:
[2-583]
----
T
F
R
Y
-
R
G
P
S
P
K
G
D
Q
P
K
A
I
A
G
L
V
E
A
L
R
D
G
-
E
R
F
V
T
L
L
G
-
A
T
G
T
G
K
T
V
T
M
A
K
V
I
E
A
L
G
-
R
P
--
A
L
V
L
A
P
N
K
I
--
L
A
A
Q
L
A
A
E
F
R
E
L
F
P
E
---
N
A
V
E
Y
F
I
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
G
K
D
L
Y
I
E
K
D
A
S
I
N
P
E
I
E
R
L
R
H
S
T
T
R
S
L
L
T
R
R
D
V
I
V
V
A
S
V
S
-
A
I
Y
G
L
G
D
P
R
E
Y
R
-
A
R
-
N
L
V
V
R
-------
E
V
L
L
E
R
L
L
E
L
G
Y
Q
R
N
D
I
D
L
S
P
G
R
F
R
A
K
G
E
V
L
E
I
F
P
A
Y
-
E
T
E
P
------------------------
I
R
V
E
L
G
F
V
L
F
P
A
T
H
Y
L
S
P
-
E
G
L
E
E
I
L
K
E
I
E
K
E
L
W
E
R
V
R
Y
F
E
E
R
G
E
V
L
Y
A
Q
R
L
K
E
R
T
L
Y
D
L
E
M
L
R
V
M
G
T
-
C
-
P
-
G
V
E
N
Y
A
R
Y
F
T
G
K
A
P
G
E
P
P
Y
T
L
L
D
Y
F
P
E
D
F
L
V
F
L
D
E
S
H
V
T
V
P
Q
L
Q
G
M
Y
R
G
D
Y
A
R
K
K
T
L
V
D
-
Y
G
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
L
E
R
--
V
S
Q
V
V
F
V
S
--
A
T
P
G
P
--
F
E
L
A
H
S
G
-
R
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
L
V
R
V
K
-----
P
T
E
N
Q
I
L
D
L
M
E
G
I
R
E
R
A
A
R
G
E
-
R
------
T
L
V
T
V
L
T
V
R
M
A
E
E
L
T
S
F
L
V
E
H
G
I
R
A
R
Y
L
H
H
E
L
D
A
F
K
R
Q
A
L
I
R
D
L
R
L
G
H
Y
D
C
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
R
------
G
E
V
W
L
Y
A
D
R
V
S
E
A
M
Q
R
A
I
E
E
T
N
R
R
R
A
L
Q
E
A
Y
N
L
E
H
G
I
T
P
E
T
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
87.20
54%
-89
- C5 -
1D9X
2
UVRB_BACCA
A:
[4-595]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
A
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.81
54%
-92
- C5 -
2FDC
1
UVRB_BACCA
A:
[4-594]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
------------------------------------------------------------------------------------
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
------
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
86.46
54%
-86
- C5 -
1D9Z
4
UVRB_BACCA
A:
[4-594]
----
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
-
F
-
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
R
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
--
Y
E
L
E
H
S
P
G
V
-
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
-
N
A
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
Fugue
86.04
55%
-87
- C5 -
1D9X
2
UVRB_BACCA
A:
[2-595]
--E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
-G
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
-
K
P
--
T
L
V
I
A
H
N
-
K
T
L
A
G
Q
L
Y
S
E
L
K
E
F
F
-
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
A
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
G
P
Y
E
L
E
H
S
P
---
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
-----
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
-
R
------
T
L
V
T
T
L
T
K
K
M
A
E
D
L
T
D
Y
L
K
E
A
G
I
K
V
A
Y
L
H
S
E
I
K
T
L
E
R
I
E
I
I
R
D
L
R
L
G
K
Y
D
V
L
V
G
I
N
L
L
R
E
G
L
D
I
P
E
V
S
L
V
A
I
L
D
A
D
--
K
E
G
F
L
R
S
E
R
S
L
I
Q
T
I
G
R
A
A
R
N
A
-
N
------
G
H
V
I
M
Y
A
D
T
I
T
K
S
M
E
I
A
I
Q
E
T
K
R
R
R
A
I
Q
E
E
Y
N
R
K
H
G
I
V
P
R
T
V
K
K
E
I
R
D
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
Fugue
70.82
55%
-95
- C5 -
1D9X
1
UVRB_BACCA
A:
[2-414]
--E
G
R
F
Q
L
V
A
P
Y
E
P
Q
G
D
Q
P
Q
A
I
A
K
L
V
D
G
L
R
R
G
-
V
K
H
Q
T
L
L
G
-
A
T
G
T
G
K
T
F
T
I
S
N
V
I
A
Q
V
N
---KP
T
L
V
I
A
H
N
K
T
--
L
A
G
Q
L
Y
S
E
L
K
E
F
F
P
H
---
N
A
V
E
Y
F
V
S
Y
----
Y
D
Y
Y
Q
P
E
A
Y
V
P
Q
T
D
T
Y
I
E
K
D
A
K
I
N
D
E
I
D
K
L
R
H
S
A
T
S
A
L
F
E
R
R
D
V
I
I
V
A
S
V
S
-
C
I
Y
G
L
G
S
P
E
E
Y
R
-
E
L
-
V
V
S
L
R
V
G
M
E
I
E
R
N
A
L
L
R
R
L
V
D
I
Q
Y
D
R
N
D
I
--
F
R
G
T
F
R
V
R
G
D
V
V
E
I
F
P
A
S
-
R
D
E
H
C
I
R
V
E
F
F
G
D
E
I
E
--
A
E
V
D
A
L
T
G
K
V
L
G
E
R
E
H
V
A
I
F
P
A
S
H
F
V
T
R
E
E
K
M
R
L
A
I
Q
N
I
E
Q
E
L
E
E
R
L
A
E
L
R
A
Q
G
K
L
L
E
A
Q
R
L
E
Q
R
T
R
Y
D
L
E
M
M
R
E
M
G
F
-
C
-
S
-
G
I
E
N
Y
S
R
H
L
A
L
R
P
P
G
S
T
P
Y
T
L
L
D
Y
F
P
D
D
F
L
I
I
V
D
E
S
H
V
T
L
P
Q
L
R
G
M
Y
N
G
D
R
A
R
K
Q
V
L
V
D
-
H
G
F
R
L
P
S
A
L
D
N
R
P
L
T
F
E
E
F
E
Q
K
--
I
N
Q
I
I
Y
V
S
--
A
T
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
P
Y
E
L
E
H
S
P
------
G
V
V
E
Q
I
I
R
P
T
G
L
L
D
P
T
I
D
V
R
P
T
K
G
Q
I
D
D
L
I
G
E
I
R
E
R
V
E
R
N
E
R
T
L
V
T
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
Fugue
57.77
18%
-72
- C5 -
2EYQ
5
MFD_ECOLI
A:
[5-1150]
PEQ
Y
R
Y
T
L
P
V
---------------------
K
-
A
G
E
Q
R
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
--
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
---
M
V
M
N
------------------
L
A
D
W
E
T
L
P
Y
D
S
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
-
T
L
M
Q
R
V
C
P
H
S
F
L
-
H
G
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
-
S
E
-
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
K
------------------
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
-
L
P
A
-
G
I
E
Y
W
Q
P
L
F
F
S
----
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
----------
L
E
T
S
A
E
R
F
Q
A
D
T
L
-
A
R
F
E
N
R
G
V
D
P
M
R
P
L
-------
L
--
P
P
Q
S
L
W
L
R
--
V
D
E
L
F
--
S
E
L
K
N
W
P
R
V
Q
L
K
T
E
H
L
P
T
K
A
A
N
A
N
L
G
F
Q
-----
K
L
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
-
L
E
T
FD
G
P
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
----------
A
P
Q
R
I
M
R
L
D
E
A
S
D
R
G
R
Y
L
M
I
G
A
--
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
LL
G
E
R
V
A
R
R
R
Q
D
S
R
R
T
I
N
P
D
T
L
-
I
R
N
LAELHI
G
Q
P
V
V
H
L
E
H
G
V
G
R
Y
A
G
-
M
T
T
L
E
A
G
G
I
T
G
E
Y
L
M
L
T
Y
A
N
D
A
K
L
Y
V
P
--
V
S
S
L
H
L
-----
I
S
R
Y
A
G
G
A
E
E
N
A
P
L
H
K
L
G
G
D
A
W
S
R
A
R
Q
K
A
A
E
K
V
R
D
V
A
A
E
L
L
D
I
Y
A
Q
R
A
A
K
E
G
F
A
F
K
H
D
R
E
Q
Y
Q
L
F
C
D
S
F
P
F
E
T
T
P
D
Q
A
Q
A
I
N
A
V
L
S
D
M
C
QP
L
A
M
D
R
L
V
C
G
D
VGFGKT
E
V
A
M
R
A
A
F
L
A
V
D
N
H
K
Q
V
A
V
L
V
PT
T
L
L
A
Q
Q
H
Y
D
N
F
R
D
R
F
A
NWP
V
R
I
E
M
I
SRFRS
A
K
E
Q
T
Q
I
L
A
E
V
A
E
GKID
I
L
I
G
T
H
K
L
L
Q
S
DVKFKDLG
L
L
I
V
D
EEHRFG
V
R
H
K
E
R
I
K
A
M
R
AN
V
D
I
L
T
L
T
ATPIP
R
T
L
N
M
A
M
SGM
R
D
L
S
I
IATPPARR
L
A
V
K
T
F
V
R
E
YD
S
M
V
V
R
E
A
I
L
R
E
I
L
R
G
G
Q
V
Y
Y
L
Y
NDVEN
I
Q
K
A
A
E
R
L
A
E
L
V
PE
A
R
I
A
I
G
H
G
QMR
E
R
E
L
E
R
V
M
N
D
F
H
H
QRFN
V
L
V
C
TTIIETGIDIPTAN
T
I
I
I
ERADHFG
L
A
Q
L
H
Q
L
R
G
R
V
G
R
S
H
H
Q
A
Y
A
W
LLTPHPKAMT
T
D
A
Q
K
R
L
E
A
I
A
S
LEDLGA
G
F
A
L
A
T
H
D
L
E
I
R
G
A
G
E
L
L
G
E
E
Q
S
G
S
M
E
T
IG
F
S
L
Y
M
E
L
L
E
N
A
V
D
A
L
K
A
GREPSLEDLTSQQ
T
E
V
E
LR
M
P
S
L
L
P
DDFIPD
V
N
T
R
L
S
F
Y
K
R
I
A
S
AKT
E
N
E
L
E
E
I
K
V
E
L
I
D
R
FGLLP
D
P
A
R
T
L
L
D
I
A
R
L
R
Q
Q
A
Q
K
L
GIR
K
L
E
G
N
EK
G
G
V
I
E
F
A
EKNHVN
P
A
W
L
I
G
L
L
Q
KQPQH
Y
R
L
D
G
PT
R
L
K
F
I
Q
DLSE
R
K
T
R
I
E
W
V
R
Q
F
M
R
E
L
E
E
N
AI
65
Fugue
55.22
18%
-86
- C5 -
3HJH
1
MFD_ECOLI
A:
[5-450]
---
Y
R
Y
T
L
P
--------------------
V
K
A
-
G
E
Q
R
L
L
G
E
-
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
--
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
----
Q
M
V
M
N
L
A
D
W
ETLP
Y
D
S
F
S
P
-----------------
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
-
T
L
M
Q
R
V
C
P
H
S
F
L
-
H
G
H
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
--
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
------------------
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
P
-
A
-
G
I
E
Y
W
Q
P
L
F
F
S
----
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
----------
L
E
T
S
A
E
R
F
Q
A
D
T
L
-
A
R
F
E
N
R
G
V
D
P
M
R
P
L
-------
L
--
P
P
Q
S
L
W
L
R
--
V
D
E
L
F
--
S
E
L
K
N
W
P
R
V
Q
L
K
T
E
H
L
P
T
K
A
A
N
A
N
L
G
F
Q
K
L
PDL
A
V
Q
A
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
D
G
P
------
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
M
R
L
D
E
A
S
D
R
------------
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
--
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
50.82
15%
-76
* C5 *
3HJH
1
MFD_ECOLI
A:
[14-450]
---------------------------------
G
E
Q
R
L
L
G
E
-
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
-
H
A
G
P
--
V
V
L
I
A
P
D
M
Q
--
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
----
Q
M
V
M
-----------------
N
L
A
D
W
E
T
L
P
Y
D
S
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
F
L
H
-
G
H
-
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
-
S
-
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
K
R
-----------------
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
L
-
P
-
A
-
G
I
E
Y
W
Q
P
L
F
F
S
E
P
----
L
P
P
L
F
S
Y
F
P
A
N
T
-
L
L
-
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
M
R
-
P
L
L
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
N
W
P
R
V
Q
L
K
TE
H
L
P
T
K
--
A
--
A
N
-----
A
N
L
G
F
Q
K
L
--
P
D
L
A
-
V
Q
A
-----
Q
Q
K
A
P
L
D
A
L
R
K
F
L
E
T
F
---
D
G
-
P
------
V
V
F
S
V
E
S
E
G
R
R
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
M
R
L
----------
D
E
A
S
D
R
G
--
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
--
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
50.00
20%
-95
- C5 -
2B2N
4
MFD_ECOLI
A:
[26-282]
----------------------------------------------
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
--
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
V
M
N
L
A
D
W
E
T
L
P
----
Y
D
S
F
S
P
H
------------
Q
D
I
I
S
S
R
L
-----
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
-
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
H
-
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
-
S
E
-
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
----
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
--------------
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
-
L
-
P
A
G
I
E
Y
W
Q
P
L
F
F
----
S
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
-
M
R
P
L
L
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
--
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
49.89
20%
-105
- C5 -
3HJH
-
MFD_ECOLI
A:
[15-282]
-----------------------------------
E
Q
R
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
-
G
P
--
V
V
L
I
A
P
D
M
Q
--
N
A
L
R
L
H
D
E
I
S
Q
F
T
D
Q
M
V
M
N
L
A
D
W
E
T
L
P
----
Y
D
S
F
S
P
H
------------
Q
D
I
I
S
S
R
L
-----
S
T
L
Y
Q
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
-
T
L
M
Q
R
V
C
P
H
S
F
L
H
G
H
-
A
L
V
M
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
G
Y
R
H
V
D
Q
V
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
-
S
E
-
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
V
F
D
V
D
S
Q
R
T
L
E
E
V
E
A
I
N
L
L
P
A
H
E
F
P
T
D
K
A
----
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
V
--------------
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
G
T
-
L
-
P
A
G
I
E
Y
W
Q
P
L
F
F
----
S
E
P
L
P
P
L
F
S
Y
F
P
A
N
T
L
L
V
N
T
G
D
L
E
T
S
A
E
R
F
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
P
-
M
R
P
L
L
P
P
Q
S
L
W
L
R
V
D
E
L
F
S
E
L
K
--
N
W
P
R
V
Q
L
K
--
T
E
H
L
P
--
T
K
A
A
N
A
N
L
G
F
Q
K
L
P
D
L
A
V
Q
A
Q
Q
K
A
P
L
D
A
-----
L
R
K
F
L
E
T
F
D
G
P
V
V
F
S
V
E
S
E
G
R
-
R
------
E
A
L
G
E
L
L
A
R
I
K
I
A
P
Q
R
I
M
R
L
D
E
A
S
D
R
G
R
Y
L
M
I
G
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------