@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 : B0VR96: (2017-12-01 )
MVILSDLLNRMNKSNRIQTAELDWESIDGIEVPISKQFGDVYFSKDNGLLETRHVFLNGNDLSERLANLQDFEYFSVGETGFGTGLNILALWQLWQQVRPNNHSHLHAISVEKFPLSKADLIRALNVWDELKPLSKQLIEQYPLPLAGCHRLSFPEERFSIDLWLGDAQDIFPSMVKTKAVNAWFLDGFAPSCNPDMWEQNVLNNIVRLSDYGTTFASFSVAGVLKRGLKTHGIDISRPRGFGHKREMLKAVWKAPVSEEILLEPVSDTFHFTQQRIAVIGAGIAGLSTAWAFAQRGHQVTLFERTAPLSGASGNPLALLNPKPCPIEQSHEHLMTLSWQHALNFYKNFQAFRPIQIQQMALKNAQDLLDLADQYPADIVTQQTSSLESDYPHILLTEAGAVSPHQLRDEILQHQGIELKIANITTLISFENKVQLKSGNETTLGADHVVVCCARESAALFENYPLLKPIRGQVSWVDNSFATLPLNEAYSYGGYCIQLNASELILGASFYPSRDDQEVLIDDHVHNFELIHSVFPHYAKQLPPVEQWQGRASVRAQSPDYFPLVGKMQKESPISTFAGLGSKGFLFAPLCSEVLVAQILGEACPVPKSLLQKLDAQRFQKKVKPKKPYFKSQ
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90..---......----100...----.....110.......120.......130.......140.......150.......160.......170....--..--.--180.......190..-.....200.......210.......220.......230.......240.......250.......260.....----..270..----.....280.......290.......300.-...-.-..310......----.320.......330.......340.......350-..--.......360--..---.--....370.-..----------....-------380------.-------...------....390.......400.......410---...---....420-..-......430.......440.......450.......460--....-..--.470.......480.......490.......500..--..--.....510.......520.......530....--...-540...-.....550.......560......---------------.570-------------.-----------------------.....-----------------------..------------.580.......590.......600.......610.......620.......630.
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MV
I
L
S
D
L
L
N
RMNKSNR
I
Q
T
A
ELDWESIDGIEVPISKQFG
D
V
Y
FSKDNG
L
L
E
T
R
H
V
F
LNG
N
D
L
S
E
R
L
ANLQD
F
E
Y
F
SVGETGFGT
G
L
N
I
L
A
L
W
Q
---
L
W
Q
Q
VR----PN-NHS----
H
L
H
A
I
S
VEKFPL
S
K
A
D
L
I
R
A
L
N
V
W
D
E
L
K
P
L
S
K
Q
L
I
E
QYPL
P
L
AGCHRLSFP
E
E
R
F
S
I
D
L
W
LG
D
A
Q
D
I
F
P
S
M
V
--
K
T--K--AV
N
A
W
F
LDGFAPSC
N
-
P
D
M
W
E
Q
N
V
L
N
N
I
V
R
LSDYGT
T
F
A
S
F
S
V
A
G
V
L
K
R
G
L
K
THGIDISRPRGFG
H
K
R
E
M
L
K
A
V
W
KAPVSE
E
I
L
LEPV
S
----
D
T
F
H
F
T
Q
----
Q
R
I
A
V
I
GA
G
I
A
G
L
S
T
A
W
A
F
A
QRG
H
Q
V
T
L
F
-ERT-A-PLSGASGN
P
L
A
----
L
LNPKPCPIEQSHE
H
L
M
T
L
S
W
Q
H
A
L
N
F
Y
K
N
F
Q---AF--RP
I
Q
I
Q
Q
M
A
L
--
K
N
---
A
--
Q
D
L
L
D
L
A
D
-QY----------
P
A
D
I
-------
V
T
-------
Q
-------
Q
TS------SLESDY
P
H
I
L
L
TEAGAV
S
P
H
Q
L
R
D
E
I
L
---
Q
HQ---G
I
E
L
K
-
I
-
A
N
-
I
T
T
L
I
SFE
N
K
V
Q
L
KSGNETTLGA
D
H
V
V
V
C
CARE
S
A
A
L
F
E--NYPL-LK--PIRG
Q
V
S
W
VDNS
F
A
TLPLNEAYSYG
G
Y
C
I
Q
L
N
--
A
S
--
E
L
--
I
L
GASFYPSRDD
Q
E
V
L
I
D
DHVH
N
F
E
L
I
H
S
V
F
P
--
H
Y
A
-
K
Q-LP
P
-
V
E
Q
W
QGRASVRAQSPDYFPLVGKM---------------QK---------------E-----------------------SP
I
S
T
-----------------------
F
A------------GLGSKG
F
L
F
A
P
L
C
S
E
V
L
V
A
Q
I
L
GEACP
V
P
K
S
L
L
Q
K
L
D
A
Q
R
F
Q
K
KVKPKKPYFKSQ
23
PsiBlast_CBE
64.77
33%
-3
- C4 -
-
3AWI
1
MNMC_ECOLI
D:
[22-674]
------------
K
H
Y
S
I
Q
P
A
N
L
E
F
N
------
T
P
V
S
R
D
F
D
D
V
Y
F
S
N
D
N
G
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
KIAQMLSMDL
P
A
E
L
AVAVEAN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
ELA
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
VY
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
HH
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PDYEATLVEYASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDDLFM---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
2
PsiBlast_PDB
63.51
32%
-3
- C4 -
-
3PS9
1
?
A:
[10-662]
------------
K
H
Y
S
I
Q
P
A
N
L
E
F
N
------
T
P
V
S
R
D
F
D
D
V
Y
F
S
N
D
N
G
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
A
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
K
I
A
Q
M
L
S
MDL
P
A
E
L
A
V
A
V
E
AN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
E
L
A
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
F
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
V
Y
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
H
H
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PD
Y
E
A
T
L
V
E
Y
ASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDDLFM---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
21
PsiBlast_CBE
63.00
33%
-4
- C4 -
-
3AWI
1
MNMC_ECOLI
F:
[55-674]
------------------------------------------------
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
KIAQMLSMDL
P
A
E
L
AVAVEAN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
ELA
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
VY
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
HH
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PDYEATLVEYASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDDLFM---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
25
PsiBlast_CBE
62.71
33%
-0
- C4 -
-
3AWI
1
MNMC_ECOLI
B:
[55-674]
------------------------------------------------
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
K
I
A
Q
M
L
S
M
DL
P
A
E
L
A
V
A
V
E
AN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
E
L
A
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
V
Y
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
H
H
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PD
Y
E
A
T
L
V
E
Y
ASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDD
L
F
M
---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
107
Fugue
62.33
33%
-3
- C4 -
-
3PS9
1
?
A:
[1-671]
---
L
G
T
D
D
D
D
K
M
K
H
Y
S
I
Q
P
A
N
L
E
F
N
T
------
P
V
S
R
D
F
D
D
V
Y
F
S
N
D
N
G
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
H
P
H
-
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
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L
A
P
W
A
E
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L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
A
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
--
L
NQ
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
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N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
V
M
E
Q
T
L
P
L
P
C
S
-
A
P
W
F
----
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
D
Q
L
P
V
K
F
D
H
--
D
W
C
G
V
T
Q
L
G
W
D
E
K
S
---
Q
--
H
K
I
A
Q
M
L
S
M
D
L
----------
P
A
E
L
-------
A
V
-------
A
V
E
ANAVE
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
E
L
A
Q
Q
Q
---
G
L
Q
I
Y
-
Y
Q
Y
Q
-
L
Q
N
F
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
Q
--
T
S
T
L
P
V
Y
--
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
NQ
H
H
--
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
--
Q
A
Q
-
W
A
-
K
E
V
D
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
---------------
P
D
---------------
Y
-----------------------
E
A
T
L
V
E
Y
ASLAEQKDEAVSAPVFDDLFM
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
W
V
R
K
L
L
K
G
K
-----
115
HHSearch
62.02
33%
-3
- C4 -
-
3PS9
1
?
A:
[12-671]
--------------
Y
S
I
Q
P
A
N
L
E
F
N
------
T
P
V
S
R
D
F
D
D
V
Y
F
S
N
D
N
G
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
H
-
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
E
A
HP
Q
A
-
Q
L
Q
----
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
A
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
DS
L
N
--
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
P
D
-
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
V
M
E
Q
T
L
P
L
P
C
S
A
P
W
-
F
----
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
-
C
A
D
E
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
D
Q
L
P
V
K
F
D
H
--
D
W
C
G
V
T
Q
L
G
W
--
D
E
---
K
S
Q
H
K
I
A
Q
M
L
S
M
D
L
----------
P
A
E
L
-------
A
V
-------
A
V
------
E
A
N
AVEQIT
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
---
E
L
A
Q
Q
Q
G
L
Q
I
Y
Y
Q
-
Y
Q
-
L
Q
N
F
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
Q
TS
T
L
P
--
V
Y
--
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
PA
N
Q
--
H
H
--
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
--
Q
A
Q
-
W
A
K
E
V
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
---------------
P
D
---------------
Y
E
A
T
L
V
E
Y
ASLAEQKDEAVSAPVF
D
D
L
F
M
-----------------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
W
V
R
K
L
L
K
G
K
-----
1
PsiBlast_PDB
61.97
33%
-5
- C4 -
-
3AWI
1
MNMC_ECOLI
A:
[55-674]
------------------------------------------------
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
K
I
A
Q
M
L
S
M
DL
P
A
E
L
A
V
A
V
E
AN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
E
L
A
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
V
Y
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
H
H
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PD
Y
E
A
T
L
V
E
YASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDD
L
F
M
---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
22
PsiBlast_CBE
61.96
33%
-6
- C4 -
-
3AWI
1
MNMC_ECOLI
E:
[55-674]
------------------------------------------------
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
KIAQMLSMDL
P
A
E
L
AVAVEAN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
ELA
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
VY
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
HH
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PDYEATLVEYASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDDLFM---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
24
PsiBlast_CBE
61.61
33%
-2
- C4 -
-
3AWI
1
MNMC_ECOLI
C:
[55-674]
------------------------------------------------
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
V
R
F
P
E
-
H
P
H
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
D
E
G
R
V
T
L
D
L
W
F
G
D
I
N
E
L
T
S
Q
L
D
--
D
S
LN
Q
--
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
D
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
-----
V
M
E
Q
T
L
P
L
P
C
S
APWF
N
R
T
G
S
S
K
----
R
E
A
A
I
I
G
G
G
I
A
S
A
L
L
S
L
A
L
L
R
R
G
W
Q
V
T
L
Y
C
A
D
E
-
A
-
P
A
L
G
A
S
G
N
R
Q
G
----
A
L
Y
----
P
L
L
S
K
H
D
E
A
L
N
R
F
F
S
N
A
F
T
F
A
R
R
F
Y
---
D
Q
--
L
P
V
K
F
D
H
D
W
C
--
G
V
---
T
--
Q
L
G
W
D
E
K
S
-
Q
H
KIAQMLSMDL
P
A
E
L
AVAVEAN
A
V
-------
E
-------
Q
I
T
------
G
V
A
T
N
C
S
G
I
T
Y
P
Q
G
G
W
L
C
P
A
E
L
T
R
N
V
L
ELA
Q
Q
Q
---
G
L
Q
I
Y
-
Y
-
Q
Y
-
Q
L
Q
N
L
S
R
K
D
D
C
W
L
L
N
F
A
G
D
Q
Q
A
T
H
S
V
V
V
L
A
N
G
H
Q
I
S
R
F
S
--
Q
T
S
T
-
L
P
VY
S
V
A
G
Q
V
S
H
I
P
T
T
P
E
L
A
E
L
K
Q
V
L
C
Y
D
G
Y
L
T
P
Q
N
--
P
A
--
N
Q
HH
C
I
G
A
S
Y
H
R
G
S
E
D
T
A
Y
S
E
D
D
Q
Q
Q
N
R
Q
R
L
I
D
C
F
P
QA
Q
W
A
-
K
E
-
V
-
D
-
V
S
D
K
E
A
R
C
G
V
R
C
A
T
R
D
H
L
P
M
V
G
N
V
PDYEATLVEYASLAE
Q
K
---------------
D
-----------------------
E
A
V
S
A
PVFDDLFM---------------
F
A
------------
A
L
G
S
R
G
L
C
S
A
P
L
C
A
E
I
L
A
A
Q
M
S
D
E
P
I
P
M
D
A
S
T
L
A
A
L
N
P
N
R
L
--------------
3
PsiBlast_PDB
57.98
30%
-16
- C4 -
-
3SGL
1
MNMC_YERPE
A:
[34-666]
-----------------------------------------------
G
L
E
E
T
H
H
V
F
L
K
G
N
G
F
P
A
R
F
A
S
-
H
P
Q
Q
S
C
I
F
A
E
T
G
F
G
T
G
L
N
F
L
T
L
W
R
D
F
A
L
F
R
Q
Q
S
----
P
N
A
T
L
R
----
R
L
H
Y
I
S
F
E
K
Y
P
L
H
V
A
D
L
A
S
A
H
A
R
W
P
E
L
A
S
F
A
E
Q
L
R
A
Q
W
P
L
P
L
A
G
C
H
R
I
L
L
A
D
G
A
I
T
L
D
L
W
F
G
D
V
N
T
L
L
P
T
L
D
--
D
S
LN
N
--
Q
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
N
E
Q
L
F
N
A
M
A
R
M
T
R
P
G
G
T
F
S
T
F
T
A
A
G
F
V
R
R
G
L
Q
Q
A
G
F
N
V
T
K
V
K
G
F
G
Q
K
R
E
M
L
T
G
T
L
P
Q
Q
I
H
-----
A
P
T
A
----
P
W
Y
H
R
P
A
A
TRC
D
D
I
A
I
I
G
G
G
I
V
S
A
L
T
A
L
A
L
Q
R
R
G
A
V
V
T
L
Y
-
C
A
D
-
A
Q
P
A
Q
G
A
S
G
N
R
Q
G
A
L
Y
P
L
L
N
G
K
N
D
A
L
E
T
F
F
T
S
A
F
T
F
A
R
R
Q
Y
D
Q
L
L
E
Q
G
I
---
A
F
D
H
Q
W
C
G
V
S
Q
L
A
F
--
D
D
K
S
R
G
--
K
I
E
K
M
L
H
T
-
Q
W
----------
P
V
E
F
-------
A
E
A
M
S
R
E
Q
L
S
-------
E
L
A
------
G
L
D
C
A
H
D
G
I
H
Y
P
A
G
G
W
L
C
P
S
D
L
T
H
A
L
M
M
L
A
Q
Q
N
---
G
M
T
C
H
-
Y
-
Q
H
E
L
Q
R
L
K
R
I
D
S
Q
W
Q
L
T
F
G
--
Q
A
A
K
H
H
A
T
V
I
L
A
T
G
H
R
L
P
E
W
E
QT
H
H
L
P
-
L
S
--
A
V
R
G
Q
V
S
H
I
P
T
T
P
V
L
S
Q
L
Q
Q
V
L
C
Y
D
G
Y
L
T
P
V
N
--
P
A
--
N
Q
H
H
C
I
G
A
S
Y
Q
R
G
D
I
A
T
D
F
R
L
T
E
Q
Q
E
N
R
E
R
L
L
R
C
L
P
--
Q
V
S
W
P
Q
-
Q
V
D
-
V
S
D
N
Q
A
R
C
G
V
R
C
A
I
R
D
H
L
P
M
V
G
A
V
---------------
P
D
Y
A
A
T
L
A
Q
Y
Q
DLSRRI----------------------------
D
-----------------------
I
A
VAPVWPE
L
F
M
V
G
G
L
G
S
R
G
L
C
S
A
P
L
V
A
E
I
L
A
A
Q
M
F
G
E
P
L
P
L
D
A
K
T
L
A
A
L
N
P
N
R
F
--------------
78
PsiBlast_CBE
39.75
43%
-237
- C3 -
-
4J34
1
KMO_YEAST
A:
[4-33]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
V
A
I
I
G
A
G
L
V
G
C
L
A
A
L
A
F
S
K
E
G
Y
N
V
T
L
Y
-
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
39.37
50%
-216
- C3 -
-
2IID
1
OXLA_CALRH
B:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
38.94
43%
-218
- C3 -
-
4J34
1
KMO_YEAST
B:
[4-33]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
V
A
I
I
G
A
G
L
V
G
C
L
A
A
L
A
F
S
K
E
G
Y
N
V
T
L
Y
-
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
38.88
50%
-223
- C3 -
-
2IID
1
OXLA_CALRH
A:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
38.38
50%
-215
- C3 -
-
2IID
1
OXLA_CALRH
D:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
38.13
41%
-213
- C3 -
-
4J33
1
KMO_YEAST
A:
[22-60]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
S
----
E
S
V
A
I
I
G
A
G
L
V
G
C
L
A
A
L
A
F
S
K
E
G
Y
N
V
T
L
Y
-
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
37.92
50%
-216
- C3 -
-
1F8R
1
OXLA_CALRH
B:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
Fugue
37.77
48%
-20
- C- -
-
2QY6
-
MNMC_ECO57
A:
[20-265]
----------
S
L
K
H
Y
S
I
Q
P
A
N
L
E
F
---
N
A
E
G
T
P
V
S
R
D
F
D
D
V
Y
F
S
N
D
N
G
L
E
E
T
R
Y
V
F
L
G
G
N
Q
L
E
A
R
F
P
E
H
P
H
-
P
L
F
V
V
A
E
S
G
F
G
T
G
L
N
F
L
T
L
W
Q
---
A
F
D
Q
F
R
----
E
A
-
H
P
Q
AQLQ
R
L
H
F
I
S
F
E
K
F
P
L
T
R
A
D
L
A
L
A
H
Q
H
W
P
E
L
A
P
W
A
E
Q
L
Q
A
Q
W
P
M
P
L
P
G
C
H
R
L
L
L
--
D
R
V
T
L
D
L
W
F
G
D
I
N
E
L
I
S
Q
L
D
--
D
S
--
L
NQ
K
V
D
A
W
F
L
D
G
F
A
P
A
K
N
-
P
D
M
W
T
Q
N
L
F
N
A
M
A
R
L
A
R
P
G
G
T
L
A
T
F
T
S
A
G
F
V
R
R
G
L
Q
E
A
G
F
T
M
Q
K
R
K
G
F
G
R
K
R
E
M
L
C
G
V
M
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
37.44
50%
-212
- C3 -
-
1F8R
1
OXLA_CALRH
D:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
37.42
50%
-213
- C3 -
-
1F8R
1
OXLA_CALRH
C:
[34-63]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
H
V
V
I
V
G
A
G
M
A
G
L
S
A
A
Y
V
L
A
G
A
G
H
Q
V
T
V
L
-
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------