Protein Structural Information Derived from NMR Chemical Shift with the Neural Network Program TALOS-N

  • Yang ShenEmail author
  • Ad BaxEmail author
Part of the Methods in Molecular Biology book series (MIMB, volume 1260)


Chemical shifts are obtained at the first stage of any protein structural study by NMR spectroscopy. Chemical shifts are known to be impacted by a wide range of structural factors, and the artificial neural network based TALOS-N program has been trained to extract backbone and side-chain torsion angles from 1H, 15N, and 13C shifts. The program is quite robust and typically yields backbone torsion angles for more than 90 % of the residues and side-chain χ 1 rotamer information for about half of these, in addition to reliably predicting secondary structure. The use of TALOS-N is illustrated for the protein DinI, and torsion angles obtained by TALOS-N analysis from the measured chemical shifts of its backbone and 13Cβ nuclei are compared to those seen in a prior, experimentally determined structure. The program is also particularly useful for generating torsion angle restraints, which then can be used during standard NMR protein structure calculations.

Key words

NMR Chemical shifts Protein structure Side-chain conformation Artificial neural network Secondary structure Backbone torsion angle 



This work was funded by the Intramural Research Program of the NIDDK, NIH.


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Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  1. 1.Laboratory of Chemical PhysicsNational Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of HealthBethesdaUSA

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