Chemical Shift Index

The chemical shift index is a method for predicting protein secondary structures from the observed chemical shifts of the protein backbone and CB atoms. In general, if a run of negative values is present in the consensus plot a helix is predicted for this region of the protein. If a run of positive values is present a beta strand is predicted.

The plots shown are generated according to the algorithm of Wishart and coworkers using the standard chemical shift values reported in their publications (see http://www.bmrb.wisc.edu/ref_info/csishift.txt).

See the references below for details.

References

  1. Wishart, D.S., Sykes, B.D., and Richards, F.M., 'Relationship between Nuclear Magnetic Resonance Chemical Shift and Protein Secondary Structure,' J. Mol. Biol. 222, 311-333 (1991)
  2. Wishart, D.S. and Sykes, B.D., 'The 13C Chemical-Shift Index: A simple method for the identification of protein secondary structure using 13C chemical shift data,' J. Biomol. NMR 4, 171-180 (1994).


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