Contact model for the prediction of NMR N-H order parameters in globular proteins.

@article{Zhang2002ContactMF,
  title={Contact model for the prediction of NMR N-H order parameters in globular proteins.},
  author={Fengli Zhang and Rafael Br{\"u}schweiler},
  journal={Journal of the American Chemical Society},
  year={2002},
  volume={124 43},
  pages={12654-5}
}
An analytical relationship is presented for the estimation of NMR S2 order parameters of N-HN vectors of the protein backbone from high-resolution protein structures. The relationship solely depends on close contacts of the peptide plane to the rest of the protein. Application of the relationship to a number of proteins with high-resolution X-ray and NMR structures yields S2 values that are in good agreement with the ones determined from experimental relaxation data. 

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