@TOME V2.2
(Nov 2016)
Ref.
-
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 : S12A7_HUMAN: (2015-12-09 )
MPTNFTVVPVEAHADGGGDETAERTEAPGTPEGPEPERPSPGDGNPRENSPFLNNVEVEQESFFEGKNMALFEEEMDSNPMVSSLLNKLANYTNLSQGVVEHEEDEESRRREAKAPRMGTFIGVYLPCLQNILGVILFLRLTWIVGVAGVLESFLIVAMCCTCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEIFLTYISPGAAIFQAEAAGGEAAAMLHNMRVYGTCTLVLMALVVFVGVKYVNKLALVFLACVVLSILAIYAGVIKSAFDPPDIPVCLLGNRTLSRRSFDACVKAYGIHNNSATSALWGLFCNGSQPSAACDEYFIQNNVTEIQGIPGAASGVFLENLWSTYAHAGAFVEKKGVPSVPVAEESRASALPYVLTDIAASFTLLVGIYFPSVTGIMAGSNRSGDLKDAQKSIPTGTILAIVTTSFIYLSCIVLFGACIEGVVLRDKFGEALQGNLVIGMLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAIARDGIVPFLQVFGHGKANGEPTWALLLTVLICETGILIASLDSVAPILSMFFLMCYLFVNLACAVQTLLRTPNWRPRFKFYHWTLSFLGMSLCLALMFICSWYYALSAMLIAGCIYKYIEYRGAEKEWGDGIRGLSLNAARYALLRVEHGPPHTKNWRPQVLVMLNLDAEQAVKHPRLLSFTSQLKAGKGLTIVGSVLEGTYLDKHMEAQRAEENIRSLMSTEKTKGFCQLVVSSSLRDGMSHLIQSAGLGGLKHNTVLMAWPASWKQEDNPFSWKNFVDTVRDTTAAHQALLVAKNVDSFPQNQERFGGGHIDVWWIVHDGGMLMLLPFLLRQHKVWRKCRMRIFTVAQVDDNSIQMKKDLQMFLYHLRISAEVEVVEMVENDISAFTYERTLMMEQRSQMLKQMQLSKNEQEREAQLIHDRNTASHTAAAARTQAPPTPDKVQMTWTREKLIAEKYRSRDTSLSGFKDLFSMKPDQSNVRRMHTAVKLNGVVLNKSQDAQLVLLNMPGPPKNRQGDENYMEFLEVLTEGLNRVLLVRGGGREVITIYS
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--------.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950....-------...960.......970.......980.......---990....--...1000......1010......1020......1030......1040......1050......1060......1070......1080
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPT
N
F
T
V
V
P
V
E
A
HADGGGDETAERTEAPGTPEGPEPERPSPGDGNPRENSPFLNNVEV
E
Q
E
SFFEGKNM
A
L
F
E
E
EMDSN
P
M
V
S
S
L
L
N
K
L
A
N
Y
T
N
L
S
Q
G
V
VEHE
E
D
E
E
S
R
R
R
EAKAPR
M
G
T
F
I
G
V
Y
L
P
C
L
Q
N
I
L
G
V
I
L
F
L
R
L
T
W
I
V
G
V
A
G
V
L
E
S
F
L
I
V
A
M
C
C
T
C
T
M
L
T
A
I
S
M
S
A
IATNGVVP-AGG
S
Y
Y
M
I
SRSLGPEF-G
G
A
V
G
L
C
F
Y
L
G
T
T
FA
G
A
M
Y
I
L
G
T
I
E
I
F
L
T
YISPG
A
A
I
F
Q
AEAAG
G
E
A
A
A
M
L
HN
M
R
V
Y
G
T
C
T
L
V
L
M
A
L
V
V
F
V
-
G
V
K
Y
V
N
K
L
A
L
V
F
L
A
C
V
V
L
S
I
-
L
A
I
Y
A
G
V
I
K
SAFDPPDI
P
V
C
L
LGNRTLSR
R
S
F
D
A
C
V
K
A
YGIHNNS
A
T
S
A
L
W
G
L
F
CN-----GSQP
S
A
A
C
D
E
Y
F
I
QNNV
T
E
IQGIPGAA
S
G
V
F
L
E
N
L
W
S
T
Y
AHA
G
A
F
VEKKGVPSVPVAEESRASA
L
P
Y
V
L
T
D
I
A
A
S
----
F
T
L
L
V
G
I
YFPS
V
T
G
IMAGSNRSG
D
L
K
D
A
Q
KSIPT
G
T
I
L
A
I
V
T
T
S
F
I
Y
L
S
C
I
V
--
L
F
G
A
C
I
E
G
V
V
L
R
D
KF
G
E
A
LQG
N
L
--
V
-
I
G
---
M
LAWPS
P
W
---
V
I
V
I
G
S
F
F
S
T
C
G
A
G
L
Q
SLTG
A
P
R
L
L
Q
A
I
A
RDG
I
V
P
F
L
Q
V
FGHGKANGE
P
T
W
A
L
L
L
T
V
L
I
CET
G
I
L
I
-------A
S
L
D
S
V
A
P
I
L
S
M
F
F
L
M
C
Y
L
F
V
N
L
A
C
A
V
Q
T
L
L
RTPNWRP
R
F
K
F
Y
H
W
T
L
S
F
L
G
M
S
L
C
L
A
L
M
F
I
C
---
S
W
------
Y
Y
A
L
S
A
M
L
I
A
G
C
I
Y
K
Y
I
E
YRGAE
K
E
WGDGIRGLSL
N
A
A
R
Y
A
L
L
R
V
EHGPPHTKNWR
P
Q
V
L
V
M
L
NL--
D
A
E
Q
AVK--H
P
-------
R
L
L
S
F
T
S
Q
LKAGK-
G
L
T
I
V
G
S
V
LE
G
T
Y
L
D
K
H
---
M
-----------
E
-----
A
----
Q
R
----
A
E
---
E
----
N
I
R
---
S
L
---
M
S
---
T
-----
E
KT-
K
G
F
C
Q
-
L
-
V
V
S
S
S
L
R
D
G
M
S
H
-
L
I
Q
S
AGLGGLKHN
T
V
L
M
AWPASWKQEDNP
F
S
W
K
N
F
V
D
T
V
R
D
T
T
A
A
H
Q
A
L
L
V
AKNVDSFPQ
N
Q
E
RFGGG
H
I
D
V
W
--------
W
I
V
--------HDG
G
M
L
M
L
L
P
F
L
L
R
Q
H
K
V
W
R
K
CR
M
R
I
F
T
V
A
Q
VDDN
S
I
Q
M
K
K
D
L
Q
M
F
L
Y
H
LRISA
E
V
E
V
V
E
M
V
E
N
D
I
S
A
F
T
Y
E
R
T
L
M
M
E
Q
R
S
Q
M
L
K
Q
M
Q
LSKN
E
Q
E
R
E
A
Q
L
IHDR-------NTASHTAAAARTQAPPTPD
K
V
Q
M
T
W
T
R
E
K
L
I
A
E
---
K
Y
RSRDT--SL
S
G
F
K
D
L
FSMKP
D
Q
S
N
V
R
R
M
H
T
A
V
K
L
N
G
V
V
LNKSQD
A
Q
L
V
L
L
NMPGPPKNRQG
D
E
N
Y
M
E
F
L
E
V
L
T
EGL
N
R
V
L
L
V
RGGG
R
E
V
I
T
IYS
14
HHSearch
94.22
18%
-146
- C5 -
3GIA
7
Y609_METJA
A:
[3-430]
----------------------------------------------------------------------------------------------------------------
L
K
N
K
K
L
S
L
W
E
A
V
S
M
-
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
I
A
G
R
-
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
--
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
V
I
S
I
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
P
I
--------------
N
T
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
L
N
F
F
-
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
-
G
L
F
I
F
A
G
L
I
T
I
-
H
P
S
---------------
Y
----------------------------------------------------------------
V
I
P
D
L
A
P
-----------------------------
S
A
V
S
G
----
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
--
S
A
I
G
N
L
P
I
D
E
L
I
K
A
S
----
E
N
A
L
--
A
V
A
A
KPF
L
G
N
L
G
-
F
L
---
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
--
E
F
F
E
R
K
V
W
F
K
S
T
-
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
Y
I
L
I
D
E
--
V
G
G
R
K
E
----
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
---
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
HHSearch
85.27
15%
-149
- C5 -
3L1L
2
ADIC_ECO57
A:
[7-431]
------------------------------------------------------------------------------------------------------------------
A
H
K
V
G
L
I
P
V
T
L
M
-
V
S
G
A
I
M
G
S
G
V
F
L
L
P
A
N
L
A
S
-
T
G
G
-
I
A
I
Y
G
W
L
V
T
I
I
G
A
L
G
L
S
M
V
Y
A
K
M
S
F
L
--
D
P
S
P
G
G
S
Y
A
Y
A
R
R
C
F
G
P
F
L
-
G
Y
Q
T
N
V
L
Y
W
L
A
C
W
I
G
N
I
A
M
V
V
I
G
V
G
Y
L
S
Y
F
F
P
I
L
-
K
-------------
D
P
W
V
L
T
I
T
C
V
V
V
L
W
I
F
V
L
L
N
I
V
-
G
P
K
M
I
T
R
V
Q
A
V
A
T
V
L
A
L
I
P
I
-
V
G
I
A
V
F
G
W
F
W
F
-
R
G
E
---------------
T
Y
-------------------------------------
M
--------------
A
--------------------------------------------------
A
----
I
Q
S
T
L
N
V
T
L
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
T
T
--
A
I
M
G
M
I
P
N
A
A
L
R
V
S
-----
A
S
P
F
G
D
A
-
A
R
M
A
-
L
G
D
T
A
-
G
A
---
I
V
S
F
C
A
A
A
G
C
L
G
S
L
G
G
W
T
L
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
--
P
I
F
A
R
V
N
K
A
G
T
P
V
A
G
L
I
I
V
G
I
L
M
T
I
F
Q
L
S
SISPNAT
K
E
F
G
L
V
S
S
V
S
V
I
F
T
L
V
P
Y
L
Y
T
C
A
A
L
L
L
L
G
H
G
-
H
F
G
K
A
R
---
P
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
---
G
A
K
E
V
---
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
Y
P
L
D
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
Fugue
81.66
16%
-102
- C5 -
3GIA
7
Y609_METJA
A:
[3-435]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
N
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
I
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
V
I
S
I
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
NAP
I
N
T
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
I
H
P
S
Y
V
I
-----
P
D
L
A
P
S
A
V
S
G
----
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
--
S
A
I
----
G
N
L
P
I
D
E
L
I
K
A
S
E
N
A
L
--
A
-
V
A
---
A
K
P
F
L
G
N
L
G
F
L
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
--
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
F
--------
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
Y
I
---
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
------
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
61.53
24%
-43
- C5 -
3GIA
4
Y609_METJA
A:
[177-361]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
V
I
P
D
L
A
P
S
A
V
S
G
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
S
A
I
G
N
L
P
I
D
E
L
I
K
A
S
E
N
A
L
A
V
A
A
K
P
--
F
-
L
G
---
N
L
G
F
---
L
---
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
---
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
---
F
V
------
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
60.91
24%
-39
- C5 -
3GI9
-
Y609_METJA
C:
[177-361]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
V
I
P
D
L
A
P
S
A
V
S
G
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
S
A
I
G
N
L
P
I
D
E
L
I
K
A
S
E
N
A
L
A
V
A
A
K
P
--
F
-
L
G
---
N
L
G
F
---
L
---
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
---
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
---
F
V
------
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
L
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
60.01
24%
-38
- C5 -
3GI8
-
Y609_METJA
C:
[177-361]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
V
I
P
D
L
A
P
S
AVSG
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
SA
I
G
N
L
P
I
D
E
L
I
K
A
S
E
N
A
L
A
V
A
A
K
P
--
F
-
L
G
---
N
L
G
F
---
L
---
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
---
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
---
F
V
------
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
52.98
9%
19
- C6 -
2DUM
-
?
A:
[7-128]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
V
L
F
P
T
D
F
--
S
E
----
G
--
A
Y
-------
R
A
V
E
V
F
E
K
R
N
K
M
E
V
G
E
V
I
L
L
H
V
I
D
E
G
T
L
E
E
L
MEL
K
-----------
D
I
K
E
K
L
K
----
E
E
----
A
S
---
R
----
K
L
Q
---
E
K
---
A
E
---
E
V
K
R
A
F
R
A
K
-
N
V
R
T
I
---
I
R
F
G
I
P
W
D
E
I
V
K
-
V
A
E
E
-----
E
N
V
S
L
I
I
L
P
S
R
G
K
L
S
H
E
F
L
G
S
T
V
M
R
V
L
R
K
T
K
K
P
V
L
I
I
K
E
V
D
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
51.57
14%
15
- C6 -
3DLO
1
?
A:
[26-128]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
V
V
A
V
D
K
K-
S
D
----
R
--
A
E
-------
R
V
L
R
F
A
A
E
E
A
R
L
R
G
V
P
V
Y
V
V
H
S
L
P
G
G
G
R
T
K
D
---
E
-----------
D
-----
I
I
E
A
-
K
E
----
T
L
---
S
----
W
A
V
---
S
I
---
I
R
---
K
-----
E
G
A
-
E
G
E
E
H
L
L
-
V
R
G
K
E
P
P
D
D
I
V
D
-
F
A
D
E
-----
V
D
A
I
A
I
V
I
G
I
R
K
R
S
P
T
G
K
L
I
F
G
S
V
A
R
D
V
I
L
K
A
N
K
P
V
I
C
I
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
50.70
12%
-6
- C6 -
3FG9
2
?
A:
[17-130]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
I
L
L
T
V
D
E
DD
N
T
----
S
--
S
E
-------
R
A
F
R
Y
A
T
T
L
A
H
D
Y
D
V
P
L
G
I
C
S
V
L
E
S
E
D
I
N
I
F
---
D
SL
T
P
S
------
K
-----
I
Q
A
K
R
K
H
----
V
E
D
V
V
A
----
E
Y
V
---
Q
L
---
A
E
---
Q
-----
R
G
V
N
Q
V
E
P
L
-
V
-
Y
E
G
G
D
V
D
D
V
I
L
E
Q
V
I
P
E
-----
F
K
P
D
L
L
V
T
G
A
D
T
E
F
P
H
S
K
I
A
G
A
I
G
P
R
L
A
R
K
A
P
I
S
V
I
V
V
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
HHSearch
50.44
11%
-36
- C6 -
3G40
-
?
A:
[492-702]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
K
A
N
L
L
V
P
V
E
D
--
P
R
----
E
--
L
M
-------
G
T
F
D
F
L
R
D
I
T
Y
P
K
-
G
S
V
K
L
L
G
L
A
----
D
K
E
----------------
N
-----
L
----
L
S
----
Q
L
---
P
----
S
I
S
---
E
G
---
F
Q
---
E
-----
E
G
V
-
F
S
S
W
T
-
I
-
I
-----
E
E
N
L
V
V
-
G
M
E
A
L
T
G
S
F
F
R
P
S
I
L
F
L
R
L
P
E
N
R
D
R
D
------
E
E
I
R
E
I
I
R
K
A
S
M
Y
R
M
G
V
L
L
F
S
K
H
P
Q
A
----
G
L
G
R
Q
N
L
I
N
L
W
--------
I
E
N
RWDISMEL
G
N
M
D
L
A
L
L
I
A
Y
K
L
K
S
N
W
---
K
A
S
L
S
F
M
T
F
A
P
T
A
I
Q
A
Q
A
A
E
N
F
L
Q
S
L
A
E
L
A
R
I
P
N
V
K
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
48.47
10%
2
- C6 -
3MT0
-
?
A:
[136-248]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
L
A
A
V
D
V
--
G
N
----
N
--
D
G
E
H
R
S
L
H
A
G
I
I
S
H
A
Y
D
I
A
G
L
A
K
A
T
L
H
V
I
S
A
H
P
-----------T
F
---------
Q
L
----
S
----
E
T
----
I
E
---
A
R
Y
R
E
A
C
R
---
T
F
---
Q
A
---
E
-----
Y
G
F
-
S
D
E
Q
L
-
H
-
I
E
E
G
P
A
D
V
L
I
P
R
-
T
A
Q
K
-----
L
D
A
V
V
T
V
I
G
T
V
A
R
T
G
L
S
G
A
L
I
G
N
T
A
E
V
V
L
D
T
L
E
S
D
V
L
V
L
K
P
D
D
I
I
A
H
L
E
E
L
A
S
K
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
47.95
17%
-18
- C6 -
3FDX
3
?
A:
[3-117]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
I
L
V
P
I
D
I
--
S
D
----
K
EF
T
E
-------
R
I
I
S
H
V
E
S
E
A
R
I
D
D
A
E
V
H
F
L
T
V
I
P
S
----------G
M
D
--------
E
L
----
R
----
E
G
----
S
E
---
T
----
Q
L
K
---
E
I
A
K
K
F
S
---
I
-----
P
E
D
-
R
M
H
F
H
-
V
-
A
E
-
G
S
P
K
D
K
I
L
A
-
L
A
K
S
-----
L
P
A
D
L
V
I
I
A
S
H
R
P
D
I
T
T
Y
L
L
G
S
N
A
A
A
V
V
R
H
A
E
C
S
V
L
V
V
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
47.86
14%
-1
- C6 -
3LOQ
1
?
A:
[22-134]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
A
M
L
L
P
T
D
L
--
S
E
----
N
--
S
F
-------
K
V
L
E
Y
L
G
D
F
K
K
V
G
V
E
E
I
G
V
L
F
V
I
N
L
T
K
L
-------GID
I
D
H
Y
I
D
--
E
M
----
S
----
E
K
----
A
E
---
E
----
V
L
P
E
V
A
Q
K
---
I
E
---
A
-----
A
G
I
-
K
A
E
V
I
-
K
P
F
P
A
G
D
P
V
V
E
I
I
K
-
A
S
-------
E
N
Y
S
F
I
A
M
G
S
R
G
A
S
K
F
K
K
I
L
L
G
S
V
S
E
G
V
L
H
D
S
K
V
P
V
Y
I
F
K
H
D
M
V
V
N
S
L
F
D
R
V
L
V
A
Y
D
F
S
K
W
A
D
R
--------
A
L
E
--------
Y
A
K
F
V
V
K
K
T
G
G
E
L
H
I
I
H
V
S
E
D
G
D
K
T
A
D
L
R
V
M
E
E
V
I
G
A
E
G
I
E
V
H
V
H
I
E
S
G
T
P
H
K
A
I
L
A
K
R
E
E
I
N
A
T
T
I
F
M
G
S
R
G
A
G
S
V
M
T
M
I
L
G
S
T
S
E
S
V
I
R
R
S
P
V
P
V
F
V
C
K
R
G
D
-------
D
E
----------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
47.72
14%
8
- C6 -
1Q77
-
Y178_AQUAE
A:
[6-120]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
L
L
V
L
T
D
A
--
Y
S
----
D
--
C
E
-------
K
A
I
T
Y
A
V
N
F
S
E
K
L
G
A
E
L
D
I
L
A
V
L
E
D
V
Y
N
L
E
R
---
A
N
V
T
FG
L
P
F
P
PE
I
-----
K
E
E
S
K
K
R
----
I
E
---
R
----
R
L
R
---
E
V
---
W
E
K
L
T
G
-----
S
T
E
-
I
P
G
V
E
-
Y
-
R
-
I
G
P
L
S
E
E
V
K
K
-
F
V
E
G
-----
K
G
Y
E
L
V
V
W
A
C
Y
P
S
A
Y
L
C
K
V
I
D
G
L
N
L
A
S
L
I
V
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
47.70
11%
2
- C6 -
2Z08
1
?
A:
[4-110]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
I
L
L
A
Y
D
G
--
S
E
----
H
--
A
R
-------
R
A
A
E
V
A
K
A
E
A
E
A
H
G
A
R
L
I
V
V
H
A
Y
E
P
--------------------------------
R
R
R
L
E
R
A
E
---
G
----
V
L
E
---
E
A
---
R
A
---
L
-----
T
G
V
-
P
K
E
D
A
-
L
-
L
L
E
G
V
P
A
E
A
I
L
Q
-
A
A
R
A
-----
E
K
A
D
L
I
V
M
G
T
R
G
L
G
A
L
G
S
L
F
L
G
S
Q
S
Q
R
V
V
A
E
A
P
C
P
V
L
L
V
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
47.37
28%
167
- C4 -
2Y4E
3
EFEB_ECOLI
A:
[125-232]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
F
G
L
A
P
Q
M
P
K
K
L
Q
K
M
T
R
F
P
N
D
-
S
L
D
A
A
L
C
H
G
D
VLLQICA
N
T
Q
D
T
V
I
H
A
L
R
D
I
I
K
H
T
P
D
L
L
S
V
R
W
K
R
E
G
F
I
S
D
H
A
A
R
S
K
G
K
E
T
PI
N
L
L
G
F
K
D
-
G
T
A
N
P
D
S
Q
N
D
K
L
M
Q
K
V
V
W
V
T
A
D
Q
Q
E
P
A
W
T
I
G
G
S
Y
Q
A
V
R
L
I
Q
F
R
V
E
F
W
D
R
T
P
L
K
E
Q
Q
T
I
F
G
R
D
K
Q
T
G
A
P
L
G
M
Q
H
E
H
D
V
P
D
8
PsiBlast_PDB
46.62
28%
168
* C4 *
2Y4F
2
EFEB_ECOLI
A:
[114-221]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
F
G
L
A
P
Q
M
P
K
K
L
Q
K
M
T
R
F
P
N
D
-
S
L
D
A
A
L
C
H
G
D
V
L
L
Q
I
C
A
N
T
Q
D
T
V
I
H
A
L
R
D
I
I
K
H
T
P
D
L
L
S
V
R
W
K
R
E
G
F
I
S
D
H
A
A
R
S
K
G
K
E
T
PI
N
L
L
G
F
K
D
-
G
T
A
N
P
D
S
Q
N
D
K
L
M
Q
K
V
V
W
V
T
A
D
Q
Q
E
P
A
W
T
I
G
G
S
Y
Q
A
V
R
L
I
Q
F
R
V
E
F
W
D
R
T
P
L
K
E
Q
Q
T
I
F
G
R
D
K
Q
T
G
A
P
L
G
M
Q
H
E
H
D
V
P
D
13
PsiBlast_PDB
46.48
28%
-157
- C- -
4LZ9
1
?
A:
[18-128]
--------------------------------------------------------------------------------------------------------------
R
S
L
S
I
P
A
M
---
I
G
M
F
V
M
A
L
Y
N
V
V
D
T
I
F
I
S
Y
A
V
G
I
E
G
V
A
G
V
T
I
A
F
P
I
--------
M
M
I
M
M
S
M
A
-----
G
A
L
G
-
I
G
G
A
-
S
V
I
S
R
R
L
G
E
R
R
-
G
E
E
A
N
Q
V
F
G
N
I
L
T
V
I
L
V
L
S
V
I
G
F
I
S
A
F
-
T
L
L
G
P
A
L
Q
L
F
G
A
T
S
V
T
Q
G
Y
A
T
D
Y
L
F
P
I
L
L
G
S
I
F
F
F
F
A
F
A
A
N
N
I
-
I
R
S
E
G
N
A
T
F
A
M
V
T
M
I
V
P
A
V
L
-
N
I
L
L
D
V
L
F
I
F
G
L
N
M
G
V
L
G
A
S
I
A
T
V
I
A
Q
A
S
V
T
G
L
V
L
R
Y
F
L
T
G
K
S
T
L
S
L
H
W
S
D
L
R
M
K
G
-----
S
V
I
K
E
V
C
L
V
G
L
P
A
F
V
Q
Q
S
S
A
S
L
M
M
I
A
I
N
S
M
L
L
R
F
G
S
D
F
Y
V
G
V
F
G
L
V
Q
R
I
M
M
F
V
M
M
P
M
M
G
I
M
Q
A
M
Q
P
I
V
G
Y
N
Y
G
A
K
----
Q
Y
S
R
L
R
E
T
V
M
L
G
F
K
V
A
T
I
F
S
I
G
I
F
A
L
L
M
L
F
P
E
A
L
L
R
V
F
T
A
D
R
E
V
I
Q
A
G
V
S
A
M
--
H
I
L
F
C
V
T
F
L
I
G
A
Q
I
V
A
G
G
L
Y
Q
S
L
--
G
-
K
P
---
K
Q
A
L
I
L
S
L
---
S
R
Q
I
I
F
L
I
P
L
V
L
I
L
P
H
I
F
G
L
S
G
V
W
W
A
F
P
I
A
D
V
L
S
F
I
L
T
V
V
L
L
Y
R
D
R
N
V
F
F
L
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
Fugue
46.40
11%
-20
- C6 -
3G40
-
?
A:
[492-760]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
K
A
N
L
L
V
P
V
E
------
D
P
R
E
--
L
M
-------
G
T
F
D
F
L
R
D
I
T
Y
P
K
-
G
S
V
K
L
L
G
L
A
D
K
E
N
L
L
S
Q
---
L
-----------
P
-----
S
----
I
S
----
E
G
---
F
----
Q
E
E
---
G
V
---
F
S
---
S
-----
W
T
I
--------------
I
E
E
N
L
V
V
-
G
M
E
A
L
T
G
S
F
F
R
P
S
I
L
F
L
R
L
P
------
E
N
R
D
R
D
E
E
I
R
E
I
I
R
K
A
S
M
Y
R
M
G
V
L
L
F
S
K
H
P
Q
A
G
L
G
R
Q
----
N
L
I
N
L
W
I
E
NRWDIS
M
E
L
--------
G
N
M
D
L
A
L
L
I
A
Y
K
L
K
S
N
W
---
K
A
S
L
S
F
M
T
F
A
P
T
A
I
Q
A
Q
A
A
E
N
F
L
Q
S
L
A
E
L
A
R
I
P
N
V
K
M
Q
V
L
R
E
N
P
I
K
S
S
K
L
P
F
A
S
L
H
I
F
S
L
D
P
N
P
D
L
D
L
A
R
H
L
M
E
K
A
G
S
S
C
I
F
A
L
-------
D
S
G
E
E
N
A
L
A
L
L
-------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
46.29
28%
182
- C4 -
2Y4D
3
EFEB_ECOLI
A:
[125-232]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
F
G
L
A
P
Q
M
P
K
K
L
Q
K
M
T
R
F
P
N
D
-
S
L
D
A
A
L
C
H
G
D
VLLQICA
N
T
Q
D
T
V
I
H
A
L
R
D
I
I
K
H
T
P
D
L
L
S
V
R
W
K
R
E
G
F
I
S
D
H
A
A
R
S
K
G
K
E
T
P
I
N
L
L
G
F
K
D
-
G
T
A
N
P
D
S
Q
N
D
K
L
M
Q
K
V
V
W
V
T
A
D
Q
Q
E
P
A
W
T
I
G
G
S
Y
Q
A
V
R
L
I
Q
F
R
V
E
F
W
D
R
T
P
L
K
E
Q
Q
T
I
F
G
R
D
K
Q
T
G
A
P
L
G
M
Q
H
E
H
D
V
P
D