@TOME V2.3
(Mar 2018)
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 : B0VPG9: (2017-11-21 )
MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE
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.......650.......660.......670...--.-.-------.------.680..-.....690......--------------.-------700.......710.......720--...--.-..----.-.----730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MKK
L
S
SLG
F
V
R
P
I
F
L
I
I
I
I
I
L
V
SL
P
M
G
F
Y
G
M
Y
L
Y
IAPTL
P
E
M
S
S
L
KKAPLLK
P
L
Q
V
YTAD
N
Q
L
I
A
EYGG---
K
L
S
I
P
V
EYKQI
P
P
N
F
I
H
A
F
L
AAEDSSFFEHSGI
S
F
K
G
L
G
R
A
L
S
E
SVTGSDVQTGG
S
T
I
T
M
Q
V
A
K
NYYL
S
P
E
R
T
L
K
R
K
L
T
E
I
F
L
A
---
R
K
I
E
Q
NL
S
K
E
D
I
L
S
L
Y
V
N
K
I
F
LGKN----AYG
I
A
A
A
A
K
I
Y
YNKSI
N
E
L
S
I
A
Q
M
A
M
I
AGLPKAPSKYNPVV
N
P
E
R
T
L
E
R
R
N
W
I
L
G
R
M
L
Q
LGYI
S
Q
A
E
Y
Q
K
A
VAEPINLNMPN----------RDLNNIH
P
Y
A
G
E
M
V
R
S
E
L
V
K
H
F
G
--
E
----
Q
-
A
---
I
DSG
Y
K
V
Y
T
T
I
N
A
K
R
Q
A
I
A
E
K
A
V
Q
D
G
L
E
A
Y
D
R
RHGWRG----------AE---------AHD
K
P
L
S
E
F
----
R
A
Y
-----
A
----N----T---YP
A
Q
V
T
KVN
S
S
S
F
E
A
L
MQDG
S
T
V
T
V
Q
WSGMSWARPYRNANSVGAAP
S
R
A
S
Q
I
V
K
V
K
D
I
V
RLRPNEAK
T
A
W
S
L
V
QVPKVQ
G
Q
L
I
A
INPNDG
S
I
E
A
I
VGG
Y
N
F
Y
Q
-
S
-
K
F
N
R
A
L
Q
G
WRQPGS
T
I
K
P
F
L
-
Y
A
L
A
L
ERG--MTPYSMVNDS-P-
I
T
I
-G-----K-----WTPKNSDG
R
Y
L
--
G
M
I
P
L
R
R
A
L
YLSRN
T
V
S
V
R
L
L
Q
T
V----G
I
E
R
T
R
Q
L
F
M
DFG-----------LQEDQ--I-----------PR
N
Y
T
I
ALGT--P
Q
V
L
P
I
Q
MATG
Y
A
TFANG
G
Y
RV
Q
P
H
F
I
Q
R
I
E
D
A
YG
K
V
I
YEAKP
E
Y
A
C
I
PCINAP----ET--------TDD-------AQVTTPD
D
Q
V
V
E
V
T
N
K
E
L
E
Q
K
E
K
A
T
K
QLNLKQTDKN
N
S
Q
Y
R
Q
A
Q
R
I
L
KSSSA
Y
D
M
A
N
I
L
R
D
V
I
--
E
-H-------G------TG
R
A
A
L
-
K
IGRSDLGGKTGTT--------------N-------DAKD
A
W
FAGFN
G
K
L
V
T
V
T
W
VGF---DQP--T-TL----G-R----REYG
G
I
A
A
L
P
I
W
I
N
F
M
G
Q
A
LQGTP
A
A
W
V
R
LEKDAQAPISR
D
K
Q
E
V
T
T
EVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGE
E
I
V
IPSKTTPPAMKPSQGAAPK
R
E
K
D
E
L
E
N
L
I
N
QIE
44
Fugue
79.31
93%
1
- C2 -
-
3UDI
1
?
A:
[19-727]
---------------------------------------------------
K
P
L
Q
V
Y
T
------------------------------------------------------------------
A
D
N
Q
L
I
A
E
Y
G
G
K
L
S
I
P
V
E
Y
K
Q
I
P
P
N
F
I
H
A
F
L
A
AED
S
S
F
F
Q
N
L
S
K
E
D
I
L
S
L
Y
V
N
K
I
F
L
G
K
N
----
A
Y
G
I
A
A
A
A
K
I
Y
Y
N
K
S
I
N
E
L
S
I
A
Q
M
A
M
I
A
G
L
P
K
A
P
S
K
Y
N
P
V
V
N
P
E
R
A
L
E
R
R
N
W
I
L
G
R
M
L
Q
L
G
Y
I
S
Q
A
E
Y
Q
K
A
V
A
E
P
I
N
L
N
M
P
N
----------
R
D
L
N
N
I
H
P
Y
A
G
E
M
V
R
S
E
L
V
K
H
F
G
--
E
----
Q
-
A
---
I
D
S
G
Y
K
V
Y
T
T
I
N
A
K
R
Q
A
I
A
E
K
A
V
Q
D
G
L
E
A
Y
D
R
R
H
G
W
R
G
----------
A
E
---------
A
H
D
K
P
L
S
E
F
----
R
A
Y
-----
A
----
N
----
T
---
Y
P
A
Q
V
T
K
V
N
S
S
S
F
E
A
L
M
Q
D
G
S
T
V
T
V
Q
W
S
G
M
S
W
A
R
P
Y
R
N
A
N
S
V
G
A
A
P
S
R
A
S
Q
I
V
K
V
K
D
I
V
R
L
R
P
N
E
A
K
T
A
W
S
L
V
Q
V
P
K
V
Q
G
Q
L
I
A
I
N
P
N
D
G
S
I
E
A
I
V
G
G
Y
N
F
Y
Q
-
S
-
K
F
N
R
A
L
Q
G
W
R
Q
P
G
S
T
I
K
P
F
L
-
Y
A
L
A
L
E
R
G
--
M
T
P
Y
S
M
V
N
D
S
-
P
-
I
T
I
-
G
-----
K
-----
W
T
P
K
N
S
D
G
R
Y
L
--
G
M
I
P
L
R
R
A
L
Y
L
S
R
N
T
V
S
V
R
L
L
Q
T
V
----
G
I
E
R
T
R
Q
L
F
M
D
F
G
-----------
L
Q
E
D
Q
--
I
-----------
P
R
N
Y
T
I
A
L
G
T
--
P
Q
V
L
P
I
Q
M
A
T
G
Y
A
T
F
A
N
G
G
Y
R
V
Q
P
H
F
I
Q
R
I
E
D
A
Y
G
K
V
I
Y
E
A
K
P
E
Y
A
C
I
P
C
I
N
A
Y
----------------------------------------------------------------
R
Q
A
Q
R
I
L
K
S
S
S
A
Y
D
M
A
N
I
L
R
D
V
I
--
E
-
H
-------
G
------
T
G
K
I
G
-----
R
S
D
L
G
G
K
T
G
T
T
--------------
N
-------
D
A
K
D
A
W
F
A
G
F
N
G
K
L
V
T
V
T
W
V
G
F
---
D
Q
P
--
T
-
T
L
----
G
-
R
----
R
E
Y
G
G
I
A
A
L
P
I
W
I
N
F
M
G
Q
A
L
Q
G
T
P
A
A
W
V
R
L
E
-------------------------------------------------------------------------------------------
2
PsiBlast_PDB
66.68
39%
-19
* C2 *
-
5U2G
1
PBPA_HAEIN
A:
[14-762]
---------------------------------------------
K
T
V
E
L
Q
Q
P
M
Q
I
Y
T
A
D
G
K
L
I
G
E
V
G
E
---
Q
R
R
I
P
V
K
L
A
D
V
P
Q
R
L
I
D
A
F
L
A
T
E
D
S
R
--------------------------------------------------------------------
N
K
Q
E
I
L
E
L
Y
L
N
K
I
F
L
G
Y
R
----
S
Y
G
V
A
A
A
A
Q
T
Y
F
G
K
S
L
N
E
L
T
L
S
E
M
A
I
I
A
G
L
P
K
A
P
S
T
M
N
P
L
Y
S
L
K
R
S
E
E
R
R
N
V
V
L
S
R
M
L
D
E
K
Y
I
S
K
E
E
Y
D
A
A
L
K
E
P
I
V
A
S
--------------
K
F
E
F
R
A
D
Y
V
T
E
M
V
R
Q
E
M
V
R
R
F
G
--
E
----
E
N
A
---
Y
T
S
G
Y
K
V
F
T
T
V
L
S
K
D
Q
A
E
A
Q
K
A
V
R
N
N
L
I
D
Y
D
M
R
H
G
Y
R
G
G
A
P
LWQKNEA
A
W
---------
D
N
D
R
I
V
G
F
L
----
R
K
L
-----
P
----
D
----
S
EP
F
I
P
A
A
V
I
G
I
V
K
G
G
A
D
I
L
L
A
S
G
E
K
M
T
L
S
T
N
A
M
R
W
--------------
T
G
R
S
N
P
V
K
V
G
E
Q
I
W
I
H
-
Q
R
A
N
G
E
W
Q
L
G
Q
I
P
A
A
N
S
A
L
V
S
L
N
S
D
N
G
A
I
E
A
V
V
G
G
F
S
Y
E
Q
-
S
-
K
F
N
R
A
T
Q
S
L
V
Q
V
G
S
S
I
K
P
F
I
-
Y
A
A
A
L
E
K
G
--
L
T
L
S
S
V
L
Q
D
S
-
P
-
I
S
I
-
Q
-----
K
PGQ
K
M
W
Q
P
K
N
S
P
D
R
Y
D
--
G
P
M
R
L
R
V
G
L
G
Q
S
K
N
I
I
A
I
R
A
I
Q
T
A
----
G
I
D
F
T
A
E
F
L
Q
R
F
G
-----------
F
K
R
D
Q
--
Y
-----------
F
A
S
E
A
L
A
L
G
A
--
A
S
F
T
P
L
E
M
A
R
A
Y
A
V
F
D
N
G
G
F
L
I
E
P
Y
I
I
E
K
I
Q
D
N
T
G
K
D
L
F
I
A
N
P
K
I
A
C
I
E
C
N
D
I
P
VIYG
E
T
KDKINGFA----------------------------------------------
S
S
K
I
E
Y
A
P
R
V
I
S
G
E
L
A
F
L
I
R
S
A
L
N
T
A
I
YG
E
-
Q
-------
G
LDWKGT
S
W
R
I
A
Q
-
S
I
K
R
S
D
I
G
G
K
T
G
T
T
--------------
N
-------
S
S
K
V
A
W
Y
A
G
F
G
A
N
L
V
T
T
T
Y
V
G
F
D--
D
N
K
--
R
-
V
L
----
G
-
R
----
G
E
A
G
A
K
T
A
M
P
A
W
I
T
Y
M
K
T
A
L
S
D
K
P
--------------------------------------------------------------------------------------------------
58
HHSearch
66.51
40%
-6
- C2 -
-
5U2G
1
PBPA_HAEIN
A:
[14-805]
---------------------------------------------
K
T
V
E
L
Q
Q
P
M
Q
I
Y
T
A
D
G
K
L
I
G
E
V
G
E
---
Q
R
R
I
P
V
K
L
A
D
V
P
Q
R
L
I
D
A
F
L
A
T
E
D
S
R
--------------------------------------------------------------------
N
K
Q
E
I
L
E
L
Y
L
N
K
I
F
L
G
Y
R
----
S
Y
G
V
A
A
A
A
Q
T
Y
F
G
K
S
L
N
E
L
T
L
S
E
M
A
I
I
A
G
L
P
K
A
P
S
T
M
N
P
L
Y
S
L
K
R
S
E
E
R
R
N
V
V
L
S
R
M
L
D
E
K
Y
I
S
K
E
E
Y
D
A
A
L
K
E
P
I
V
A
S
--------------
K
F
E
F
R
A
D
Y
V
T
E
M
V
R
Q
E
M
V
R
R
F
G
--
E
----
E
-
N
A
--
Y
T
S
G
Y
K
V
F
T
T
V
L
S
K
D
Q
A
E
A
Q
K
A
V
R
N
N
L
I
D
Y
D
M
R
H
G
Y
R
G
----------
G
A
---------
P
L
W
Q
K
N
E
A
A
WD
N
D
R
I
V
G
F
L
R
K
L
PDSE
P
----
F
---
I
P
A
A
V
I
G
I
V
K
G
G
A
D
I
L
L
A
S
G
E
K
M
T
L
S
T
N
A
M
R
W
T
G
--
R
S
------------
N
P
V
K
V
G
E
Q
I
W
-
I
H
Q
R
A
N
G
E
W
Q
L
G
Q
I
P
A
A
N
S
A
L
V
S
L
N
S
D
N
G
A
I
E
A
V
V
G
G
F
S
Y
E
Q
-
S
-
K
F
N
R
A
T
Q
S
L
V
Q
V
G
S
S
I
K
P
F
I
-
Y
A
A
A
L
E
K
G
--
L
T
L
S
S
V
L
Q
D
S
-
P
-
I
S
I
-
Q
K
PGQ
K
M
-----
W
Q
P
K
N
S
P
D
R
Y
D
--
G
P
M
R
L
R
V
G
L
G
Q
S
K
N
I
I
A
I
R
A
I
Q
T
A
----
G
I
D
F
T
A
E
F
L
Q
R
F
G
-----------
F
K
R
D
Q
--
Y
-----------
F
A
S
E
A
L
A
L
G
A
--
A
S
F
T
P
L
E
M
A
R
A
Y
A
V
F
D
N
G
G
F
L
I
E
P
Y
I
I
E
K
I
Q
D
N
T
G
K
D
L
F
I
A
N
P
K
I
A
C
I
E
C
N
D
I
P
----
V
I
--------
Y
G
E
TKDKING
F
A
-------------------------------
S
---
S
K
I
E
Y
A
P
R
V
I
S
G
E
L
A
F
L
I
R
S
A
L
N
T
A
I
--
Y
-
G
EQGLDWK
G
------
T
S
W
R
I
A
Q
S
I
K
R
S
D
I
G
G
K
T
G
T
T
--------------
N
-------
S
S
K
V
A
W
Y
A
G
F
G
A
N
L
V
T
T
T
Y
V
G
F
---
D
D
N
--
K
-
R
V
L---
G
-
R
----
G
E
A
G
A
K
T
A
M
P
A
W
I
T
Y
M
K
T
A
L
S
D
K
----
P
E
--
R
K
L
S
L
P
P
K
I
V
E
K
N
I
D
T
L
T
G
L
L
S
P
N
-----
G
G
R
K
E
Y
F
I
A
G
T
E
P
T
R
T
Y
L
--------------------------------------------
57
HHSearch
63.46
40%
-2
- C2 -
-
5U2G
-
PBPA_HAEIN
B:
[14-805]
---------------------------------------------
K
T
V
E
L
Q
Q
P
M
Q
I
Y
T
A
D
G
K
L
I
G
E
V
G
E
---
Q
R
R
I
P
V
K
L
A
D
V
P
Q
R
L
I
D
A
F
L
A
T
E
D
S
R
--------------------------------------------------------------------
N
K
Q
E
I
L
E
L
Y
L
N
K
I
F
L
G
Y
R
----
S
Y
G
V
A
A
A
A
Q
T
Y
F
G
K
S
L
N
E
L
T
L
S
E
M
A
I
I
A
G
L
P
K
A
P
S
T
M
N
P
L
Y
S
L
K
R
S
E
E
R
R
N
V
V
L
S
R
M
L
D
E
K
Y
I
S
K
E
E
Y
D
A
A
L
K
E
P
I
V
A
S
Y
------------
A
K
F
E
F
R
A
D
Y
V
T
E
M
V
R
Q
E
M
V
R
R
F
G
--
E
----
E
-
N
A
--
Y
T
S
G
Y
K
V
F
T
T
V
L
S
K
D
Q
A
E
A
Q
K
A
V
R
N
N
L
I
D
Y
D
M
R
H
G
Y
R
G
----------
G
A
---------
P
L
W
Q
K
N
E
A
A
WD
N
D
R
I
V
G
F
L
R
K
L
PDSE
P
----
F
---
I
P
A
A
V
I
G
I
V
K
G
G
A
D
I
L
L
A
S
G
E
K
M
T
L
S
T
N
A
M
R
W
T
G
--
R
S
------------
N
P
V
K
V
G
E
Q
I
W
-
I
H
Q
R
A
N
G
E
W
Q
L
G
Q
I
P
A
A
N
S
A
L
V
S
L
N
S
D
N
G
A
I
E
A
V
V
G
G
F
S
Y
E
Q
-
S
-
K
F
N
R
A
T
Q
S
L
V
Q
V
G
S
S
I
K
P
F
I
-
Y
A
A
A
L
E
K
G
--
L
T
L
S
S
V
L
Q
D
S
-
P
-
I
S
I
-
Q
K
PGQ
K
M
-----
W
Q
P
K
N
S
P
D
R
Y
D
--
G
P
M
R
L
R
V
G
L
G
Q
S
K
N
I
I
A
I
R
A
I
Q
T
A
----
G
I
D
F
T
A
E
F
L
Q
R
F
G
-----------
F
K
R
D
Q
--
Y
-----------
F
A
S
E
A
L
A
L
G
A
--
A
S
F
T
P
L
E
M
A
R
A
Y
A
V
F
D
N
G
G
F
L
I
E
P
Y
I
I
E
K
I
Q
D
N
T
G
K
D
L
F
I
A
N
P
K
I
A
C
I
E
C
N
D
I
P
----
V
I
--------
Y
G
E
TKDKING
F
A
-------------------------------
S
---
S
K
I
E
Y
A
P
R
V
I
S
G
E
L
A
F
L
I
R
S
A
L
N
T
A
I
--
Y
-
G
EQGLDWK
G
------
T
S
W
R
I
A
Q
S
I
K
R
S
D
I
G
G
K
T
G
T
T
--------------
N
-------
S
S
K
V
A
W
Y
A
G
F
G
A
N
L
V
T
T
T
Y
V
G
F
---
D
D
N
--
K
-
R
V
L---
G
-
R
----
G
E
A
G
A
K
T
A
-
P
A
W
I
T
Y
-
K
T
A
L
S
D
K
----
P
E
--
R
K
L
S
L
P
P
K
I
V
E
K
N
I
D
T
L
T
G
L
L
S
P
N
-----
G
G
R
K
E
Y
F
I
A
G
T
E
P
T
R
T
Y
L
--------------------------------------------
60
HHSearch
57.69
31%
17
- C2 -
-
5HLB
2
PBPB_ECOLI
A:
[133-738]
---------------------------------------------------
R
Q
F
G
F
F
R
L
D
P
R
L
I
T
M
I
S
S
PNG
E
Q
R
L
F
V
P
R
S
G
F
P
D
L
L
V
D
T
L
L
A
T
E
D
R
H
F
Y
E
H
D
G
I
S
L
Y
S
I
G
R
A
V
L
A
N
L
T
A
G
R
T
V
Q
G
A
S
T
L
T
Q
Q
L
V
K
N
L
F
L
S
S
E
R
S
Y
W
R
K
A
N
E
A
Y
M
A
---
L
I
M
D
A
R
Y
S
K
D
R
I
L
E
L
Y
M
N
E
V
Y
L
G
Q
S
GD
N
E
I
R
G
F
P
L
A
S
L
Y
Y
F
G
R
P
V
E
E
L
S
L
D
Q
Q
A
L
L
V
G
M
V
K
G
A
S
I
Y
N
P
W
R
N
P
K
L
A
L
E
R
R
N
L
V
L
R
L
L
Q
Q
Q
Q
I
I
D
Q
E
L
Y
D
M
L
S
A
R
P
L
G
V
Q
P
R
G
-----------
G
V
I
S
P
Q
P
A
F
M
Q
L
V
R
Q
E
L
Q
A
K
L
G
--
D
----
K
-
V
K--
D
L
S
G
V
K
I
F
T
T
F
D
S
V
A
Q
D
A
A
E
K
A
A
V
E
G
I
P
A
L
K
K
Q
-------------------------------------------------------------------------------------------------------------------------------------
R
K
L
S
D
L
E
T
A
I
V
V
V
D
R
F
S
G
E
V
R
A
M
V
G
G
S
E
P
Q
F
-
A
-
G
Y
N
R
A
M
Q
A
R
R
S
I
G
S
L
A
K
P
A
T
-
Y
L
T
A
L
S
Q
P
KI
Y
R
L
N
T
W
I
A
D
A
-
P
-
I
A
L
-
R
Q
PNG
Q
V
-----
W
S
P
Q
N
D
D
R
R
Y
S
ES
G
R
V
M
L
V
D
A
L
T
R
S
M
N
V
P
T
V
N
L
G
M
A
L
----
G
L
P
A
V
T
E
T
W
I
K
L
G
-----------
V
P
K
D
Q
--
L
-----------
H
P
V
P
A
M
L
L
G
A
--
L
N
L
T
P
I
E
V
A
Q
A
F
Q
T
I
A
S
G
G
N
R
A
P
L
S
A
L
R
S
V
I
A
E
D
G
K
V
L
Y
Q
S
F
P
Q
A
----------------------------------------------------------------------------
E
R
A
V
P
A
Q
A
A
Y
L
T
L
W
T
M
Q
Q
V
V
--
Q
-
R
-------
G
------
T
G
R
Q
L
G
A
K
Y
P
N
L
H
L
A
G
K
T
G
T
T
--------------
N
-------
N
N
V
D
T
W
F
A
G
I
D
G
S
T
V
T
I
T
W
V
G
R
---
D
N
N
--
Q
-
P
T
-----------
K
L
Y
G
A
S
G
A
M
S
I
Y
Q
R
Y
L
A
N
Q
T
P
T
------
P
--
L
N
L
V
P
P
E
D
I
A
D
M
G
V
D
Y
D
G
N
F
----
V
C
S
G
G
M
-
R
I
L
P
V
W
T
S
-
D
P
Q
S
L
C
Q
--------------------------------------------
1
PsiBlast_PDB
56.02
47%
-1
- C2 -
-
4OON
1
PBPA_PSEAE
A:
[20-727]
----------------------------------------------------
P
L
K
V
Y
S
E
D
G
K
L
I
S
E
F
G
E
---
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
P
E
L
N
A
P
Y
I
A
E
M
A
R
A
E
M
V
G
R
Y
G
--
S
----
E
-
A
---
Y
T
E
G
Y
K
V
I
T
T
V
R
S
D
L
Q
N
A
A
S
Q
S
V
R
D
G
L
I
D
Y
D
Q
R
H
G
Y
R
G
----------
P
E
T
R
L
P
GQT
R
D
A
W
L
K
H
L
G
Q
Q
----
R
S
I
-----
G
----
G
----
L
---
E
P
A
I
V
T
Q
V
E
K
S
G
I
M
V
M
T
R
D
G
K
E
E
A
V
T
W
D
S
M
K
W
A
R
P
F
L
S
N
N
S
M
G
P
M
P
R
Q
P
A
D
V
A
Q
A
G
D
Q
I
R
V
Q
R
Q
E
D
G
T
-
L
R
F
V
Q
I
P
A
A
Q
S
A
L
I
S
L
D
P
K
D
G
A
I
R
S
L
V
G
G
F
S
F
E
Q
-
S
-
N
Y
N
R
A
I
Q
A
K
R
Q
P
G
S
S
F
K
P
F
I
-
Y
S
A
A
L
D
N
G
--
F
T
A
A
S
L
V
N
D
A
-
P
-
I
V
F
-
V
-----
D
E
Y
L----------
T
F
L
--
G
P
I
P
L
R
E
A
L
Y
K
S
R
N
M
V
S
I
R
V
L
Q
G
L
----
G
I
E
R
A
I
S
Y
I
T
K
F
G
-----------
F
Q
R
D
E
--
L
-----------
P
R
N
F
S
L
A
L
G
T
--
A
T
V
T
P
M
E
I
A
G
A
W
S
V
F
A
N
G
G
Y
K
V
N
P
Y
V
I
E
R
I
E
S
R
D
G
Q
V
L
Y
Q
A
N
P
P
R
V
P
V
------------------------------------------------------------
E
P
T
--------
P
A
E
R
I
I
D
A
R
T
A
Y
I
M
T
S
M
L
Q
D
V
I
--
K
-
R
-------
G
------
T
G
R
R
A
L
-
A
L
K
R
T
D
L
A
G
K
T
G
T
T
--------------
N
-------
D
S
K
D
G
W
F
S
G
Y
N
S
D
Y
V
T
S
V
W
V
G
F
---
D
Q
P
--
E
-
T
L
----
G
-
R
----
R
E
Y
G
G
T
V
A
L
P
I
W
I
R
Y
M
G
F
A
L
K
D
K
P
--------------------------------------------------------------------------------------------------
56
HHSearch
54.23
45%
4
- C2 -
-
4OON
1
PBPA_PSEAE
A:
[20-765]
----------------------------------------------------
P
L
K
V
Y
S
E
D
G
K
L
I
S
E
F
G
E
---
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
P
E
L
N
A
P
Y
I
A
E
M
A
R
A
E
M
V
G
R
Y
G
--
S
----
E
-
A
---
Y
T
E
G
Y
K
V
I
T
T
V
R
S
D
L
Q
N
A
A
S
Q
S
V
R
D
G
L
I
D
Y
D
Q
R
H
G
Y
R
G
----------
P
E
---------
T
R
L
P
G
Q
T
R
D
----
A
W
L
K
H
---
L
G
Q
Q
-
R
S
I
GG
L
---
E
P
A
I
V
T
Q
V
E
K
S
G
I
M
V
M
T
R
D
G
K
E
E
A
V
T
W
D
S
M
K
W
A
R
P
F
L
S
N
N
S
M
G
P
M
P
R
Q
P
A
D
V
A
Q
A
G
D
Q
I
R
V
-
Q
R
Q
E
D
G
T
L
R
F
V
Q
I
P
A
A
Q
S
A
L
I
S
L
D
P
K
D
G
A
I
R
S
L
V
G
G
F
S
F
E
Q
-
S
-
N
Y
N
R
A
I
Q
A
K
R
Q
P
G
S
S
F
K
P
F
I
-
Y
S
A
A
L
D
N
G
--
F
T
A
A
S
L
V
N
D
A
-
P
-
I
V
F
-
V
D
E
Y
L---------------
T
F
L
--
G
P
I
P
L
R
E
A
L
Y
K
S
R
N
M
V
S
I
R
V
L
Q
G
L
----
G
I
E
R
A
I
S
Y
I
T
K
F
G
-----------
F
Q
R
D
E
--
L
-----------
P
R
N
F
S
L
A
L
G
T
--
A
T
V
T
P
M
E
I
A
G
A
W
S
V
F
A
N
G
G
Y
K
V
N
P
Y
V
I
E
R
I
E
S
R
D
G
Q
V
L
Y
Q
A
N
P
P
R
V
P
V
--------------------------------------------------------------------
E
P
T
P
A
E
R
I
I
D
A
R
T
A
Y
I
M
T
S
M
L
Q
D
V
I
--
K
-
R
-------
G
------
T
G
R
R
A
L
-
A
L
K
R
T
D
L
A
G
K
T
G
T
T
--------------
N
-------
D
S
K
D
G
W
F
S
G
Y
N
S
D
Y
V
T
S
V
W
V
G
F
---
D
Q
P
--
E
-
T
L
----
G
-
R
----
R
E
Y
G
G
T
V
A
L
P
I
W
I
R
Y
M
G
F
A
L
K
D
K
----
P
M
--
H
T
M
A
E
P
P
G
I
V
S
L
R
I
D
P
V
T
G
R
S
A
A
P
G
T
P
G
--
A
Y
F
E
M
F
K
N
E
----------------------------------------------------
62
HHSearch
51.96
28%
44
- C2 -
-
2OLV
1
?
A:
[9-611]
--------------------------------------------
A
K
-
L
Q
D
P
I
P
A
K
I
Y
D
K
N
G
E
L
V
K
T
L
D
N
G--
Q
R
H
E
H
V
N
L
K
D
V
P
K
S
M
K
D
A
V
L
A
T
E
D
N
R
F
Y
E
H
G
A
L
D
Y
K
R
L
F
G
A
I
G
K
---------
G
A
S
T
L
T
Q
Q
V
V
K
D
A
F
L
S
Q
H
K
S
I
G
R
K
A
Q
E
A
Y
L
S
---
Y
R
L
E
Q
E
Y
S
K
D
D
I
F
Q
V
Y
L
N
K
I
Y
Y
S
D
G
----
V
T
G
I
K
A
A
A
K
Y
Y
F
N
K
D
L
K
D
L
N
L
A
E
E
A
Y
L
A
G
L
P
Q
V
P
N
N
Y
N
I
Y
D
H
P
K
A
A
E
D
R
K
N
T
V
L
Y
L
M
H
Y
H
K
R
I
T
D
K
Q
W
E
D
A
K
K
I
D
L
K
A
N
L
V
N
R
T
P
E
E
R
Q
NID
T
N
Q
D
S
E
Y
N
S
Y
V
N
F
V
K
S
E
L
M
N
N
K
A
FK
D
EN
L
G
N
-
V
---
L
Q
S
G
I
K
I
Y
T
N
M
D
K
D
V
Q
K
T
L
Q
N
D
V
D
N
G
S
F
Y
------------------------------------------------------------------------------------------------------------------------------------------
K
N
K
D
Q
Q
V
G
A
T
I
L
D
S
K
T
G
G
L
V
A
I
S
G
G
R
D
F
K
D
-
V
V
N
R
N
Q
A
T
-
D
P
H
P
T
G
S
S
L
K
P
F
L
A
Y
G
P
A
I
E
N
M
K-
W
A
T
N
H
A
I
Q
D
E
S
S
-
Y
Q
V
-
D
-----
G
-----
S
T
F
R
N
Y
D
T
K
S
H
--
G
T
V
S
I
Y
D
A
L
R
Q
S
F
N
I
P
A
L
K
A
W
Q
S
V
K
Q
NA
G
N
D
A
P
K
K
F
A
A
K
L
G
-----------
L
N
Y
E
---
G
-----------
D
I
G
P
S
E
V
L
G
G
SA
S
E
F
S
P
T
Q
L
A
S
A
F
A
A
I
A
N
G
G
T
Y
N
N
A
H
S
I
Q
K
V
V
T
R
D
G
E
T
I
E
Y
-
D
H
T
S
----------------------------------------------------------------------------
H
K
A
M
S
D
Y
T
A
Y
M
L
A
E
M
L
K
G
T
F
--
K
P
Y
-------
G
------
S
A
Y
G
H
G
-
V
S
-
G
V
N
M
G
A
K
T
G
T
G
T
Y
G
A
E
T
Y
S
Q
Y
NLPD
N
-------
A
A
K
D
V
W
I
N
G
F
T
P
Q
Y
T
M
S
V
W
M
G
F
---
S
K
V
--
K
-
Q
Y
----
G
-
E
NSFV
G
H
S
Q
Q
E
Y
P
Q
F
L
Y
E
N
V
M
S
K
I
S
S
R
-----
D
G
--
E
D
F
K
R
P
S
S
V
----------------------------------------------------------------------------------
61
HHSearch
51.20
28%
46
- C2 -
-
3DWK
-
?
C:
[4-615]
-------------------------------------------------
D
P
I
P
A
K
I
Y
D
K
N
G
E
L
V
K
T
L
D
N
G--
Q
R
H
E
H
V
N
L
K
D
V
P
K
S
M
K
D
A
V
L
A
T
E
D
N
R
F
Y
E
H
G
A
L
D
Y
K
R
L
F
G
A
I
G
K
N
L
T
G
G
F
G
S
E
G
A
S
T
L
T
Q
Q
V
V
K
D
A
F
L
S
Q
H
K
S
I
G
R
K
A
Q
E
A
Y
L
S
---
Y
R
L
E
Q
E
Y
S
K
D
D
I
F
Q
V
Y
L
N
K
I
Y
Y
S
D
G
----
V
T
G
I
K
A
A
A
K
Y
Y
F
N
K
D
L
K
D
L
N
L
A
E
E
A
Y
L
A
G
L
P
Q
V
P
N
N
Y
N
I
Y
D
H
P
K
A
A
E
D
R
K
N
T
V
L
Y
L
M
H
Y
H
K
R
I
T
D
K
Q
W
E
D
A
K
K
I
D
L
K
A
N
L
V
N
RT
P
E
E
R
Q
NID
T
N
Q
D
S
E
Y
N
S
Y
V
N
F
V
K
S
E
L
M
N
N
K
A
FK
D
EN
L
G
N
-
V
---
L
Q
S
G
I
K
I
Y
T
N
M
D
K
D
V
Q
K
T
L
Q
N
D
V
D
N
G
S
F
Y
------------------------------------------------------------------------------------------------------------------------------------------
K
N
K
D
Q
Q
V
G
A
T
I
L
D
S
K
T
G
G
L
V
A
I
S
G
G
R
D
F
K
D
-
V
V
N
R
N
Q
A
T
-
D
P
H
P
T
G
S
S
L
K
P
F
L
A
Y
G
P
A
I
E
N
M
K-
W
A
T
N
H
A
I
Q
D
E
-
S
S
Y
Q
V
-
D
-----
G
-----
S
T
F
R
N
Y
D
T
K
S
H
--
G
T
V
S
I
Y
D
A
L
R
Q
S
F
N
I
P
A
L
K
A
W
Q
S
V
K
Q
N
A
G
N
D
A
P
K
K
F
A
A
K
L
G
-----------
L
N
Y
E
---
G
-----------
D
I
G
P
S
E
V
L
G
G
SA
S
E
F
S
P
T
Q
L
A
S
A
F
A
A
I
A
N
G
G
T
Y
N
N
A
H
S
I
Q
K
V
V
T
R
D
G
E
T
I
E
Y
D
-
H
T
S
----------------------------------------------------------------------------
H
K
A
M
S
D
Y
T
A
Y
M
L
A
E
M
L
K
G
T
F
--
K
P
Y
-------
G
------
S
A
Y
G
H
G
-
V
S
-
G
V
N
M
G
A
K
T
G
T
G
T
Y
G
A
E
T
Y
S
Q
Y
NLPD
N
-------
A
A
K
D
V
W
I
N
G
F
T
P
Q
Y
T
M
S
V
W
M
G
F
---
S
K
V
--
K
-
Q
Y
----
G
-
E
NSFV
G
H
S
Q
Q
E
Y
P
Q
F
L
Y
E
N
V
M
S
K
I
S
S
R
-----
D
G
--
E
D
F
K
R
P
S
S
V
--------
S
G
S
I
P
S
I
N
V
S
G
S
Q
-------------------------------------------------------------
63
HHSearch
51.14
34%
5
- C2 -
-
3ZG8
4
?
B:
[7-464]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
S
K
D
E
I
M
E
M
Y
L
N
R
S
Y
F
G
N
G
----
E
W
G
V
E
N
A
S
L
K
Y
F
G
K
S
A
A
D
L
N
I
P
E
A
A
T
I
A
G
L
L
Q
A
P
S
A
Y
D
P
Y
Q
H
I
D
K
A
T
N
R
R
N
M
V
L
N
A
M
V
E
T
G
T
I
S
K
A
E
G
D
K
Y
K
A
T
K
I
V
L
N
D
Q
S
K---------
D
P
L
A
N
K
Y
P
W
Y
V
D
A
V
I
N
E
A
V
N
E
A
D
--
I
T
Q
--
D
-
E
I
--
M
Q
K
G
Y
K
I
Y
T
E
L
D
Q
N
Y
Q
T
S
L
E
N
V
Y
N
N
D
G
L
F
P
S
N
----------------------------------------------------------------------------------------------------------
A
---------------------------
N
D
G
T
L
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
V
F
R
-
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
Y
T
P
A
L
Q
S
G
--
Y
D
V
D
S
M
L
K
D
E
-
K
-
I
T
Y
K
G
-----
N
-----
Y
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
L
D
Q
I
----
G
I
D
K
G
V
K
S
V
E
K
F
G
-----------
I
T
V
P
E
--
K
-----------
D
R
T
L
G
L
A
L
G
G
MS
K
G
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
N
V
P
K
T
----------------------------------------------------------------------------
K
Q
I
I
S
E
T
V
S
N
E
M
T
S
M
L
L
D
V
I
--
N
-
T
-------
G
------
T
G
Q
S
A
A
-
V
S
-
G
H
E
M
A
G
K
T
G
S
T
--------------
Q
V
PFDD
T
S
G
T
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
A
V
W
M
G
Y
---
D
K
T
--
D
-
K
E
----
H
Y
L
----
T
T
T
S
S
A
G
V
S
S
L
A
H
Y
V
M
N
S
G
L
Q
Y
Q
---------------------------------------------------------------------------------------------------
64
HHSearch
50.65
34%
5
- C2 -
-
3ZG9
5
?
B:
[9-464]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
E
I
M
E
M
Y
L
N
R
S
Y
F
G
N
G
----
E
W
G
V
E
N
A
S
L
K
Y
F
G
K
S
A
A
D
L
N
I
P
E
A
A
T
I
A
G
L
L
Q
A
P
S
A
Y
D
P
Y
Q
H
I
D
K
A
T
N
R
R
N
M
V
L
N
A
M
V
E
T
G
T
I
S
K
A
E
G
D
K
Y
K
A
T
K
I
V
L
N
D
Q
S
K---------
D
P
L
A
N
K
Y
P
W
Y
V
D
A
V
I
N
E
A
V
N
E
A
D
--
I
T
Q
--
D
-
E
I
--
M
Q
K
G
Y
K
I
Y
T
E
L
D
Q
N
Y
Q
T
S
L
E
N
V
Y
N
N
D
G
L
F
P
S
N
----------------------------------------------------------------------------------------------------------
A
---------------------------
N
D
G
T
L
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
V
F
R
-
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
Y
T
P
A
L
Q
S
G
--
Y
D
V
D
S
M
L
K
D
E
-
K
-
I
T
Y
K
G
-----
N
-----
Y
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
L
D
Q
I
----
G
I
D
K
G
V
K
S
V
E
K
F
G
-----------
I
T
V
P
E
--
K
-----------
D
R
T
L
G
L
A
L
G
G
MS
K
G
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
N
V
P
K
T
----------------------------------------------------------------------------
K
Q
I
I
S
E
T
V
S
N
E
M
T
S
M
L
L
D
V
I
--
N
-
T
-------
G
------
T
G
Q
S
A
A
-
V
S
-
G
H
E
M
A
G
K
T
G
S
T
--------------
Q
V
PFDD
T
S
G
T
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
A
V
W
M
G
Y
---
D
K
T
--
D
-
K
E
----
H
Y
L
----
T
T
T
S
S
A
G
V
S
S
L
A
H
Y
V
M
N
S
G
L
Q
Y
Q
---------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
49.46
48%
-121
- C2 -
-
3NB7
-
PBPA_AQUAE
A:
[66-241]
-----------------------------------------------------------------------------
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
--------
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
HHSearch
47.05
44%
-110
- C2 -
-
3NB6
-
PBPA_AQUAE
A:
[61-242]
------------------------------------------------------------------------
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
Y
R
A
G
R
I
A
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
46.27
48%
-123
- C2 -
-
2OQO
2
PBPA_AQUAE
A:
[23-198]
-----------------------------------------------------------------------------
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
------
V
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
46.06
48%
-112
- C2 -
-
2OQO
2
PBPA_AQUAE
A:
[14-200]
-----------------------------------------------------------------
T
I
G
I
---
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
V
Q
G
------
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
HHSearch
46.03
44%
-111
- C2 -
-
2OQO
2
PBPA_AQUAE
A:
[14-200]
-----------------------------------------------------------------
T
I
G
I
---
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
------
V
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
45.79
48%
-115
- C2 -
-
3NB6
-
PBPA_AQUAE
A:
[66-241]
-----------------------------------------------------------------------------
V
S
I
D
K
I
P
E
H
V
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
Y
R
A
G
R
I
A
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
---
I
K
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
----
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
HHSearch
44.14
31%
7
- C2 -
-
5CXW
4
A:
[3-370]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
N
G
L
I
E
R
Q
V
T
R
E
L
L
E
L
F
N
--
I
----
D
-
E
Q
T
L
N
T
Q
G
L
V
V
T
T
T
I
D
P
Q
A
Q
R
A
A
E
K
A
V
A
K
Y
L
D
G
Q
------------------------------------------------------------------------------------------------------------------------------------------
D
P
D
M
R
A
A
V
V
S
I
D
P
H
N
G
A
V
R
A
Y
Y
G
G
D
N
A
N
----
G
F
D
F
A
-
Q
A
G
L
Q
T
G
S
S
F
K
V
F
A
-
L
V
A
A
L
E
Q
G
--
I
G
L
G
Y
Q
V
D
S
S
-
P
-
L
T
V
-
D
-----
G
-----
I
K
I
T
N
V
E
G
E
G
C
--
G
T
C
N
I
A
E
A
L
K
M
S
L
N
T
S
Y
Y
R
L
M
L
K
L
NG--
G
P
Q
A
V
A
D
A
A
H
Q
A
G
-----------
I
A
S
S
F
PG
V
AHTLSEDGKGG
P
P
N
N
G
I
V
L
G
Q
--
Y
Q
T
R
V
I
D
M
A
S
A
Y
A
T
L
A
A
S
G
I
Y
H
P
P
H
F
V
Q
K
V
V
S
A
N
G
Q
V
L
F
D
A
S
-----------------------------------------------------------------------------
T
G
D
Q
R
I
P
K
A
V
A
D
N
V
T
A
A
M
E
P
I
A
--
G
-
Y
-------
S
------
R
G
H
N
L
A
---
G
G
R
D
S
A
A
K
T
G
T
T
--------------
Q
F
GDTT--
A
N
K
D
A
W
M
V
G
Y
T
P
S
L
S
T
A
V
W
V
G
T
---
V
K
G
--
D
E
P
L
VTAS
G
-
A
----
A
I
Y
G
S
G
L
P
S
D
I
W
K
A
T
M
D
G
A
L
K
G
T
----
S
N
--
E
T
F
P
K
P
T
E
V
----------------------------------------------------------------------------------
71
HHSearch
42.80
31%
11
- C2 -
-
5CRF
-
PBP1A_MYCTU
B:
[5-372]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
L
I
E
R
Q
V
T
R
E
L
L
E
L
F
N
--
I
----
D
-
E
Q
T
L
N
T
Q
G
L
V
V
T
T
T
I
D
P
Q
A
Q
R
A
A
E
K
A
V
A
K
Y
L
D
G
Q
------------------------------------------------------------------------------------------------------------------------------------------
D
P
D
M
R
A
A
V
V
S
I
D
P
H
N
G
A
V
R
A
Y
Y
G
G
D
N
A
N
----
G
F
D
F
A
-
Q
A
G
L
Q
T
G
S
S
F
K
V
F
A
-
L
V
A
A
L
E
Q
G
--
I
G
L
G
Y
Q
V
D
S
S
-
P
-
L
T
V
-
D
-----
G
-----
I
K
I
T
N
V
E
-
E
G
C
--
G
T
C
N
I
A
E
A
L
K
M
S
L
N
T
S
Y
Y
R
L
M
L
K
L
NG--
G
P
Q
A
V
A
D
A
A
H
Q
A
G
-----------
I
A
S
S
F
PG
V
AHTLSEDGKGG
P
P
N
N
G
I
V
L
G
Q
--
Y
Q
T
R
V
I
D
M
A
S
A
Y
A
T
L
A
A
S
G
I
Y
H
P
P
H
F
V
Q
K
V
V
S
A
N
G
Q
V
L
F
D
A
S
T
A
D
N
-------------------------------------------------------------------------
T
G
D
Q
R
I
P
K
A
V
A
D
N
V
T
A
A
M
E
P
I
A
--
G
-
Y
-------
S
------
R
G
H
N
L
A
---
G
G
R
D
S
A
A
K
T
G
T
T
--------------
Q
FGDTT--
A
N
K
D
A
W
M
V
G
Y
T
P
S
L
S
T
A
V
W
V
G
T
---
V
K
G
--
D
E
P
L
VTAS
G
-
A
----
A
I
Y
G
S
G
L
P
S
D
I
W
K
A
T
M
D
G
A
L
K
G
T
----
S
N
--
E
T
F
P
K
P
T
E
V
----------------------------------------------------------------------------------
20
PsiBlast_PDB
39.03
26%
-3
- C2 -
-
5CXW
4
A:
[56-359]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
D
P
D
M
R
A
A
V
V
S
I
D
P
H
N
G
A
V
R
A
Y
Y
G
G
D
N
A
N
G
-
F
-
D
F
A
Q
A
---
G
L
Q
T
G
S
S
F
K
V
F
A
-
L
V
A
A
L
E
Q
G
--
I
G
L
G
Y
Q
V
D
S
S
-
P
-
L
T
V
-
D
-----
G
-----
I
K
I
T
N
V
E
G
E
G
C
--
G
T
C
N
I
A
E
A
L
K
M
S
L
N
T
S
Y
Y
R
L
M
L
K
L
NG--
G
P
Q
A
V
A
D
A
A
H
Q
A
G
IASSFPGVAHT
L
S
E
D
G
--
K
GG---------
P
P
N
N
G
I
V
L
G
Q
--
Y
Q
T
R
V
I
D
M
A
S
A
Y
A
T
L
A
A
S
G
I
Y
H
P
P
H
F
V
Q
K
V
V
S
A
N
G
Q
V
L
F
D
A
----------
S
----------------
T
G
D
-------
Q
R
I
P
---
K
A
V
A
D
N
V
T
A
A
M
E
P
I
A
G
Y
S
R
G
H
N
L
A
--------------------------------------------
G
------
G
R
D
S
A
A
-
K
T
G
T
T
Q
F
G
D
T
T
A
N
-------------------------
K
D
A
W
M
V
G
Y
T
P
S
L
S
T
A
V
W
V
G
T
VKG
D
E
P
LV
T
-
A
S
----
G
-
A
----
A
I
Y
G
S
G
L
P
S
D
I
W
K
A
T
M
D
G
A
L
K
G
T
---------------------------------------------------------------------------------------------------