Comparison of PREDITOR and TALOS performance for high-resolution XRAY structures.
Table 4.
30o-accuracy of the full version of PREDITOR, PREDITOR shift-based only predictions and TALOS for the
test/training set of 15 high-resolution XRAY structures (resolution < 1.6A).
Ref or BMRB#
Protein Name
PDB
%β Sheet
φ/ψ30
score
TALOS
φ/ψ30
score
PREDITOR
(shift
only)
φ/ψ30
score
PREDITOR
(full)
TALOS
Time (s)
PREDITOR
Time (s)
4032
Ribonuclease A
1KF3
43.55
0.63
0.83
0.94
1038
28
4364
Stromelysin
1HY7
25.6
0.65
0.78
0.91
1130
37
6391
MMP-12,
catalytic domain
1Y93
22.15
0.67
0.81
0.90
1372
38
4661
APAF-1
1CY5
0
0.82
0.80
0.85
720
22
5393
CAP,
N-terminal domain
1S0P
1.7
0.78
0.81
0.81
1427
39
6136
L-Arabinose
Binding Protein
8ABP
25.57
0.74
0.74
0.98
2285
69
5540
Flavodoxin
1F4P
29.25
0.70
0.73
0.76
1218
33
4472
BeFx-activated CheY
1JBE
22.66
0.70
0.70
0.99
1019
29
4717
FtsZ binding domain of ZipA
1F46
30.71
0.74
0.72
0.85
1161
32
5514
GFPuv
1KYS
55.51
0.47
0.53
0.98
1832
59
6338
At1g77540
1XMT
34.74
0.67
0.60
0.60
860
23
4834
Peptide deformylase
1LM4
34.78
0.65
0.61
0.86
1517
43
5891
Hyperthermophile DNA-binding Protein
1R7J
10
0.83
0.89
0.90
771
20
4831
Hen egg
white lysozyme
3LZT
15.5
0.60
0.71
0.86
1029
29
Average
24.76
0.69
0.73
0.87
1305.04
37.53
T - shifts were taken from TALOS database (Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.) and re-referenced with
SHIFTCOR
D - shifts were taken from Chandrasekhar K, Campbell AP, Jeng MF, Holmgren A, Dyson HJ. J. Biomol.NMR.1994; 4: 411-32.