Open Access
Open access
Journal of Biomolecular NMR, volume 44, issue 4, pages 213-223

TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts

Shen Yang 1
Delaglio Frank 1
Cornilescu Gabriel 2
Bax Ad 1
1
 
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, USA
2
 
National Magnetic Resonance Facility, Madison, USA
Publication typeJournal Article
Publication date2009-06-23
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor2.7
ISSN09252738, 15735001
Biochemistry
Spectroscopy
Abstract
NMR chemical shifts in proteins depend strongly on local structure. The program TALOS establishes an empirical relation between 13C, 15N and 1H chemical shifts and backbone torsion angles ϕ and ψ (Cornilescu et al. J Biomol NMR 13 289–302, 1999). Extension of the original 20-protein database to 200 proteins increased the fraction of residues for which backbone angles could be predicted from 65 to 74%, while reducing the error rate from 3 to 2.5%. Addition of a two-layer neural network filter to the database fragment selection process forms the basis for a new program, TALOS+, which further enhances the prediction rate to 88.5%, without increasing the error rate. Excluding the 2.5% of residues for which TALOS+ makes predictions that strongly differ from those observed in the crystalline state, the accuracy of predicted ϕ and ψ angles, equals ±13°. Large discrepancies between predictions and crystal structures are primarily limited to loop regions, and for the few cases where multiple X-ray structures are available such residues are often found in different states in the different structures. The TALOS+ output includes predictions for individual residues with missing chemical shifts, and the neural network component of the program also predicts secondary structure with good accuracy.

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Shen Y. et al. TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts // Journal of Biomolecular NMR. 2009. Vol. 44. No. 4. pp. 213-223.
GOST all authors (up to 50) Copy
Shen Y., Delaglio F., Cornilescu G., Bax A. TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts // Journal of Biomolecular NMR. 2009. Vol. 44. No. 4. pp. 213-223.
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RIS Copy
TY - JOUR
DO - 10.1007/s10858-009-9333-z
UR - https://doi.org/10.1007%2Fs10858-009-9333-z
TI - TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts
T2 - Journal of Biomolecular NMR
AU - Shen, Yang
AU - Delaglio, Frank
AU - Cornilescu, Gabriel
AU - Bax, Ad
PY - 2009
DA - 2009/06/23 00:00:00
PB - Springer Nature
SP - 213-223
IS - 4
VL - 44
PMID - 19548092
SN - 0925-2738
SN - 1573-5001
ER -
BibTex |
Cite this
BibTex Copy
@article{2009_Shen,
author = {Yang Shen and Frank Delaglio and Gabriel Cornilescu and Ad Bax},
title = {TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts},
journal = {Journal of Biomolecular NMR},
year = {2009},
volume = {44},
publisher = {Springer Nature},
month = {jun},
url = {https://doi.org/10.1007%2Fs10858-009-9333-z},
number = {4},
pages = {213--223},
doi = {10.1007/s10858-009-9333-z}
}
MLA
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MLA Copy
Shen, Yang, et al. “TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts.” Journal of Biomolecular NMR, vol. 44, no. 4, Jun. 2009, pp. 213-223. https://doi.org/10.1007%2Fs10858-009-9333-z.
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