@TOME V2.3
(Mar 2018)
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 : I3TZ24: (2017-12-15 )
MNKEEIHMFSNKTRQDSIQKMQQEELDLLIIGGGITGAGVAVQSAASGIKTGLIEMQDFAEGTSSRSTKLVHGGIRYLKTFDVEVVADTVGERAVVQSIAPHIPKPDPMLLPIYEGEGATTFNMFSVKVAMDLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGLKGAGVYLDFRNNDARLVIDNIKKAAEDGAYLVSKMKAVGFLYDGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVRNLNFTRPVSPKMRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRMVFAIPRENKTYFGTTDTDYQGDFTDPKVTQEDVDYLLDVINHRYPEANITLNDIEASWAGLRPLLIGNSGSDYNGGDNGSISDKSFNKVVDTVSEYKENKVSRAEVEDVLNHLENSRDEKAPSTISRGSSLEREPDGLLTLSGGKITDYRKMAEGALRLIRQLLKEEYGIETKEIDSKKYQISGGNFDPTKLEETVTELAKEGVAAGLEEEDATYIADFYGTNARRIFELAKEMAPYPGLSLAESARLRYGLEEEMVLAPGDYLIRRTNHLLFERDQLDEIKQPVIDAIAGYFEWTEEEKAQQTKRLEALIAESDLRELKGEK
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..
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
N
K
E
E
I
H
M
FSNKT
R
Q
D
S
I
Q
K
M
Q
Q
EEL
D
L
L
I
IGGGIT
G
A
G
V
A
V
Q
S
A
AS
G
I
K
T
G
L
I
E
M
Q
D
F
AEGTSSRS
T
K
L
V
HGG
I
R
Y
L
K
T
F
D
V
E
V
V
A
D
T
VG
E
R
A
V
V
Q
S
I
APHIPKPD
P
M
L
L
P
I
YEGEG
A
T
T
F
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N------VTGTKY-ENYTL
T
P
E
E
V
L
E
REPF
L
K
KEGLKGA
G
V
Y
L
D
FRNND
A
R
L
V
I
D
N
I
K
K
A
AED
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
YDG
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
NTSGP
W
V
D
K
VRNLNFTRPVSPKMRPTK
G
I
H
L
V
V
DAKKLPV-P-QPTY-FDTGKQDG
R
M
V
F
A
IPREN-
K
-
T
YFGTTDTDYQGDFTDPKV
T
Q
E
D
V
D
Y
L
L
D
V
I
NHRYPEA
N
I
T
L
NDIEASWAGL
R
P
L
L
IGNSGSDYNGGDNGSIS
D
K
S
F
N
K
V
V
D
T
V
S
E
Y
K
ENKV
S
R
A
E
V
E
D
V
L
N
H
L
E
NSRDEKAPSTISRGSSLERE----PD
G
L
L
T
LSGGKI
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y----G-IETKEIDS
K
K
Y
Q
ISGGNF
D
P
T
K
-
L
E
E
T
V
T
E
L
A
K
E
G
V
AA-GLEEEDA
T
Y
I
A
D
F
YGT
N
A
R
R
I
F
E
L
A
---
K
---
E
M-APYPGL
S
L
A
E
S
A
R
L
RYGLEE
E
M
V
LAPG
D
Y
L
I
RRTNH-
L
L
-FE
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
G
Y
F
EW
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
LKGEK
1
PsiBlast_PDB
78.57
98%
-55
* C1 *
-
2RGO
1
?
A:
[1-605]
-------
M
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
Q
E
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
T
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
I
P
K
P
D
P
M
L
L
P
I
Y
E
D
E
G
A
T
T
F
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
------
V
T
G
T
K
Y
-
E
N
Y
T
L
T
P
E
E
V
L
E
R
E
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
F
T
R
P
V
S
P
K
M
R
P
T
K
G
I
H
L
V
V
D
A
K
K
L
P
V
-
P
-
Q
P
T
Y
-
F
D
T
G
K
Q
D
G
R
M
V
F
A
I
P
R
E
N
-
K
-
T
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
I
G
N
S
G
S
D
Y
N
G
G
-----------------------------------------------
T
I
S
R
G
S
S
L
E
R
E
----
P
D
G
L
L
T
L
S
G
G
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
----
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
-
L
E
E
T
V
T
E
L
A
K
E
G
V
A
A
-
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
E
L
A
---
K
---
E
--
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
-
L
L
-
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
L
K
G
--
2
PsiBlast_PDB
76.07
88%
-52
- C1 -
-
2RGH
1
?
A:
[16-570]
--------
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
Q
E
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
T
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
I
P
K
P
D
P
M
L
L
P
I
Y
E
D
E
G
A
T
T
F
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
------
V
T
G
T
K
Y
-
E
N
Y
T
L
T
P
E
E
V
L
E
R
E
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
F
T
R
P
V
S
P
K
M
R
P
T
K
G
I
H
L
V
V
D
A
K
K
L
P
V
-
P
-
Q
P
T
Y
-
F
D
T
G
K
Q
D
G
R
M
V
F
A
I
P
R
E
N
-
K
-
T
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
I
G
-------------------------------------------------------------
S
S
L
E
R
E
----
P
D
G
L
L
T
L
S
G
G
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
----
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
-
L
E
E
T
V
T
E
L
A
K
E
G
V
A
A
-
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
E
L
A
---
K
---
E
M
-
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
-
L
L
-
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
L
K
G
E
-
21
PsiBlast_CBE
73.73
98%
-55
- C1 -
-
2RGO
1
?
B:
[1-607]
-------
M
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
--
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
T
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
I
P
K
P
D
P
M
L
L
P
I
Y
E
D
E
--
T
T
F
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
------
V
T
G
T
K
Y
-
E
N
Y
T
L
T
P
E
E
V
L
E
R
E
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
-
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
F
--
P
V
S
P
K
M
R
P
T
K
G
I
H
L
V
V
D
A
K
K
L
P
V
-
P
-
Q
P
T
Y
-
F
D
T
G
K
Q
D
G
R
M
V
F
A
I
P
R
E
N
-
K
-
T
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
I
G
N
S
G
S
D
Y
N
G
G
------------------------------------------------
I
S
R
G
S
S
L
E
R
E
----
P
D
G
L
L
T
L
S
G
G
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
----
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
---------------------
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
E
L
A
----------
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
-
L
L
-
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
L
K
G
E
K
55
HHSearch
72.10
97%
-4
- C1 -
-
2RGH
1
?
A:
[15-570]
-------
M
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
Q
E
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
T
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
I
P
K
P
D
P
M
L
L
P
I
Y
E
D
E
G
A
T
T
F
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
------
V
T
G
T
K
Y
-
E
N
Y
T
L
T
P
E
E
V
L
E
R
E
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
F
T
R
P
V
S
P
K
M
R
P
T
K
G
I
H
L
V
V
D
A
K
K
L
P
V
P
Q
-
P
T
Y
F
D
T
G
K
--
Q
D
G
R
M
V
F
A
I
P
R
E
N
-
K
-
T
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
I
G
-------------------------------------------------------------
S
S
L
E
R
E
----
P
D
G
L
L
T
L
S
G
G
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
G
I
E
T
K
E
I
-----
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
-
L
E
E
T
V
T
E
L
A
K
E
G
V
A
A
-
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
E
L
A
---
K
---
E
M
-
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
-
L
L
-
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
L
K
G
E
-
3
PsiBlast_PDB
52.66
38%
-40
- C1 -
-
3DA1
1
?
A:
[2-535]
--------
F
S
A
K
K
R
D
K
C
I
G
E
M
S
E
K
Q
L
D
L
L
V
I
G
G
G
I
T
G
A
G
I
A
L
D
A
Q
V
R
G
I
Q
T
G
L
V
E
M
N
D
F
A
S
G
T
S
S
R
S
T
K
L
V
H
G
---------------
V
G
K
E
R
A
I
V
Y
E
N
A
P
H
V
T
T
P
E
W
M
L
L
P
I
F
K
--------------------------------------
R
Y
M
L
N
E
K
Q
T
L
E
K
E
P
L
L
R
K
E
N
L
K
G
G
G
I
Y
V
E
Y
R
T
D
D
A
R
L
T
L
E
I
M
K
E
A
V
A
R
G
A
V
A
L
N
Y
M
K
V
E
S
F
I
Y
D
Q
G
K
V
V
G
V
V
A
K
D
R
L
T
D
T
T
H
T
I
Y
A
K
K
V
V
N
A
A
G
P
W
V
D
T
L
R
E
K
D
R
S
K
H
-
G
K
Y
L
K
L
S
K
G
V
H
L
V
V
D
Q
S
R
F
P
L
-
R
-
Q
A
V
Y
-
F
D
T
-
E
S
D
G
R
M
I
F
A
I
P
R
E
G
-
K
-
T
Y
I
G
T
T
D
T
F
Y
D
K
D
I
A
S
P
R
M
T
V
E
D
R
D
Y
I
L
A
A
A
N
Y
M
F
P
S
L
R
L
T
A
D
D
V
E
S
S
W
A
G
L
R
P
L
I
----------------------------------------------
H
E
---------------
D
E
I
F
F
S
----
D
S
G
L
I
S
I
A
G
G
K
L
T
G
Y
R
K
M
A
E
R
T
V
D
A
V
A
Q
G
L
N
V
N
E
----
P
-
C
T
T
A
A
I
-----
R
L
S
G
G
L
A
E
G
A
Q
G
F
P
R
F
L
D
E
A
S
R
K
G
A
K
L
-
G
F
D
A
D
E
V
R
R
L
A
K
L
Y
G
S
N
V
D
H
V
L
N
Y
A
Y
E
G
K
---
E
E
-
A
E
H
Y
G
L
P
A
L
L
L
G
Q
L
Q
Y
G
V
E
Q
E
M
V
A
T
P
L
D
F
F
V
R
R
T
G
A
-
L
F
-
F
N
I
S
L
V
H
Q
W
K
E
A
V
L
R
W
M
A
E
E
F
S
W
T
E
E
E
K
T
R
F
Q
N
E
L
E
---------------
56
HHSearch
48.82
41%
3
- C1 -
-
3DA1
1
?
A:
[1-548]
-------
M
F
S
A
K
K
R
D
K
C
I
G
E
M
S
E
K
Q
L
D
L
L
V
I
G
G
G
I
T
G
A
G
I
A
L
D
A
Q
V
R
G
I
Q
T
G
L
V
E
M
N
D
F
A
S
G
T
S
S
R
S
T
K
L
V
H
G
---------------
V
G
K
E
R
A
I
V
Y
E
N
A
P
H
V
T
T
P
E
W
M
L
L
P
I
F
K
--------------------------------------
R
Y
M
L
N
E
K
Q
T
L
E
K
E
P
L
L
R
K
E
N
L
K
G
G
G
I
Y
V
E
Y
R
T
D
D
A
R
L
T
L
E
I
M
K
E
A
V
A
R
G
A
V
A
L
N
Y
M
K
V
E
S
F
I
Y
D
Q
G
K
V
V
G
V
V
A
K
D
R
L
T
D
T
T
H
T
I
Y
A
K
K
V
V
N
A
A
G
P
W
V
D
T
L
R
E
K
D
R
S
K
-
H
G
K
Y
L
K
L
S
K
G
V
H
L
V
V
D
Q
S
R
F
P
L
-
R
Q
A
V
Y
F
-
D
T
E
--
S
D
G
R
M
I
F
A
I
P
R
E
G
-
K
-
T
Y
I
G
T
T
D
T
F
Y
D
K
D
I
A
S
P
R
M
T
V
E
D
R
D
Y
I
L
A
A
A
N
Y
M
F
P
S
L
R
L
T
A
D
D
V
E
S
S
W
A
G
L
R
P
L
I
H
E
-------------------------------------------------------------
D
E
I
F
F
S
----
D
S
G
L
I
S
I
A
G
G
K
L
T
G
Y
R
K
M
A
E
R
T
V
D
A
V
A
Q
G
L
N
V
N
E
----
P
-
C
-----
T
T
A
A
I
R
L
S
G
G
L
A
E
G
A
Q
G
F
P
R
F
L
D
E
A
S
R
K
G
A
K
L
-
G
F
D
A
D
E
V
R
R
L
A
K
L
Y
G
S
N
V
D
H
V
L
N
Y
A
---
Y
E
G
K
E
E
-
A
E
H
Y
G
L
P
A
L
L
L
G
Q
L
Q
Y
G
V
E
Q
E
M
V
A
T
P
L
D
F
F
V
R
R
T
G
A
-
L
F
-
F
N
I
S
L
V
H
Q
W
K
E
A
V
L
R
W
M
A
E
E
F
S
W
T
E
E
E
K
T
R
F
Q
N
E
L
E
T
E
L
K
M
A
V
D
P
L
F
Q
V
--
57
HHSearch
41.90
30%
-9
- C1 -
-
2QCU
9
GLPD_ECOLI
B:
[2-500]
-----------------------
E
T
K
D
L
I
V
I
G
G
G
I
N
G
A
G
I
A
A
D
A
A
G
R
G
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
H
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
I
A
F
P
M
R
F
R
L
P
H
R
P
H
L
R
P
----
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
------
R
T
S
L
-
P
-
G
S
T
G
L
R
F
G
A
----
N
S
V
L
K
P
-
E
I
K
R
G
F
E
Y
S
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
-
L
W
I
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
T
Q
K
-
Q
-
A
Y
I
L
-
Q
-
N
--
E
D
K
R
I
V
F
V
I
P
W
M
D
E
F
-
S
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
D
D
E
S
D
--------------------------------------------------
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
D
E
NG
K
A
P
L
L
S
V
F
G
G
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
Q
G
I
G
----
P
-
A
-----
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
--
D
D
Y
A
A
R
L
---
R
R
R
Y
P
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
---
G
TVS
D
L
G
E
D
F
--
G
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
-
G
M
W
L
N
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
Y
T
Q
Q
R
L
S
L
A
---------------------------
48
PsiBlast_CBE
33.23
39%
-138
- C1 -
-
3NIX
1
?
D:
[5-44]
------------------------
K
V
D
V
L
V
I
G
A
G
P
A
G
T
V
A
A
S
L
V
N
K
S
G
F
K
V
K
I
V
E
K
Q
K
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
32.54
39%
-133
- C1 -
-
3NIX
1
?
G:
[3-44]
----------------------
R
E
K
V
D
V
L
V
I
G
A
G
P
A
G
T
V
A
A
S
L
V
N
K
S
G
F
K
V
K
I
V
E
K
Q
K
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
31.96
39%
-131
- C1 -
-
3NIX
1
?
H:
[5-44]
------------------------
K
V
D
V
L
V
I
G
A
G
P
A
G
T
V
A
A
S
L
V
N
K
S
G
F
K
V
K
I
V
E
K
Q
K
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
31.95
26%
44
- C1 -
-
2QCU
20
GLPD_ECOLI
A:
[31-491]
----------------------------------------------------
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
H
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
I
A
F
P
M
R
F
R
L
P
----
H
R
P
H
L
R
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
RT
S
L
P
G
S
T
G
L
R
F
G
A
N
S
V
L
K
P
E
---------
I
K
R
G
F
E
Y
S
D
C
W
V
D
----
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
----
T
-
Q
K
Q
A
-
Y
I
L
Q
N
E
D
K
R
I
V
F
V
I
P
W
M
D
-
E
F
S
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
-
K
K
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
---------------
I
T
R
D
Y
T
L
D
I
--
H
D
E
N
G
---
K
A
P
-------------------
L
L
S
V
F
G
G
K
L
T
T
Y
R
K
L
A
E
H
A
L
---
E
K
L
T
P
Y
Y
Q
----
G
-
I
G
P
A
W
--
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
--
D
D
Y
A
A
R
L
R
R
R
--
Y
P
-
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
GTV
S
---
D
L
-
G
E
D
F
G
H
E
F
Y
E
-
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
G
M
W
-
L
N
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
------------------------------------
7
PsiBlast_PDB
31.49
26%
42
- C1 -
-
2R4E
17
GLPD_ECOLI
A:
[31-491]
----------------------------------------------------
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
H
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
I
A
F
P
M
R
F
R
L
P
----
H
R
P
H
L
R
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
RT
S
L
P
G
S
T
G
L
R
F
G
A
N
S
V
L
K
P
E
---------
I
K
R
G
F
E
Y
S
D
C
W
V
D
----
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
----
T
-
Q
K
Q
A
-
Y
I
L
Q
N
E
D
K
R
I
V
F
V
I
P
W
M
D
-
E
F
S
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
-
K
K
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
---------------
I
T
R
D
Y
T
L
D
I
--
H
D
E
N
G
---
K
A
P
-------------------
L
L
S
V
F
G
G
K
L
T
T
Y
R
K
L
A
E
H
A
L
---
E
K
L
T
P
Y
Y
Q
----
G
-
I
G
P
A
W
--
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
--
D
D
Y
A
A
R
L
R
R
R
--
Y
P
-
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
GTV
S
---
D
L
-
G
E
D
F
G
H
E
F
Y
E
-
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
G
M
W
-
L
N
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
------------------------------------
46
PsiBlast_CBE
31.47
39%
-146
- C1 -
-
3NIX
1
?
F:
[6-44]
-------------------------
V
D
V
L
V
I
G
A
G
P
A
G
T
V
A
A
S
L
V
N
K
S
G
F
K
V
K
I
V
E
K
Q
K
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
31.17
35%
-162
- C1 -
-
4OPL
1
?
A:
[2-40]
--------------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
V
D
S
K
P
W
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
31.15
35%
-160
- C1 -
-
4OPT
1
?
A:
[2-40]
--------------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
V
D
S
K
P
W
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
31.11
26%
47
- C1 -
-
2R4J
20
GLPD_ECOLI
A:
[32-491]
-----------------------------------------------------
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
H
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
I
A
F
P
M
R
F
R
L
P
----
H
R
P
H
L
R
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
RT
S
L
P
G
S
T
G
L
R
F
G
A
N
S
V
L
K
P
E
---------
I
K
R
G
F
E
Y
S
D
C
W
V
D
----
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
----
T
-
Q
K
Q
A
-
Y
I
L
Q
N
E
D
K
R
I
V
F
V
I
P
W
M
D
-
E
F
S
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
-
K
K
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
---------------
I
T
R
D
Y
T
L
D
I
--
H
D
E
N
G
---
K
A
P
-------------------
L
L
S
V
F
G
G
K
L
T
T
Y
R
K
L
A
E
H
A
L
---
E
K
L
T
P
Y
Y
Q
----
G
-
I
G
P
A
W
--
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
--
D
D
Y
A
A
R
L
R
R
R
--
Y
P
-
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
GTV
S
---
D
L
-
G
E
D
F
G
H
E
F
Y
E
-
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
G
M
W
-
L
N
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
------------------------------------
36
PsiBlast_CBE
31.08
35%
-154
- C1 -
-
3ATR
1
?
A:
[2-40]
--------------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
V
D
S
K
P
W
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
30.95
26%
43
- C1 -
-
2R46
23
GLPD_ECOLI
A:
[31-491]
----------------------------------------------------
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
H
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
I
A
F
P
M
R
F
R
L
P
----
H
R
P
H
L
R
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
RTS
L
P
G
S
T
G
L
R
F
G
A
N
S
V
L
K
P
E
---------
I
K
R
G
F
E
Y
S
D
C
W
V
D
----
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
----
T
-
Q
K
Q
A
-
Y
I
L
Q
N
E
D
K
R
I
V
F
V
I
P
W
M
D
-
E
F
S
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
-
K
K
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
---------------
I
T
R
D
Y
T
L
D
I
--
H
D
E
N
G
---
K
A
P
-------------------
L
L
S
V
F
G
G
K
L
T
T
Y
R
K
L
A
E
H
A
L
---
E
K
L
T
P
Y
Y
Q
----
G
-
I
G
P
A
W
--
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
--
D
D
Y
A
A
R
L
R
R
R
--
Y
P
-
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
GTV
S
---
D
L
-
G
E
D
F
G
H
E
F
Y
E
-
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
G
M
W
-
L
N
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
------------------------------------
50
PsiBlast_CBE
30.90
39%
-133
- C1 -
-
3NIX
1
?
B:
[7-44]
--------------------------
D
V
L
V
I
G
A
G
P
A
G
T
V
A
A
S
L
V
N
K
S
G
F
K
V
K
I
V
E
K
Q
K
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
30.71
35%
-156
- C1 -
-
4OPG
1
?
A:
[2-40]
--------------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
V
D
S
K
P
W
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------