Contact model for the prediction of NMR NH order parameters in globular proteins
F Zhang, R Brüschweiler
文献索引：Yin, Jingjun; Rainka, Matthew P.; Zhang, Xiao-Xiang; Buchwald, Stephen L. Journal of the American Chemical Society, 2002 , vol. 124, # 7 p. 1162 - 1163
An analytical relationship is presented for the estimation of NMR S 2 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 S 2 values that are in good agreement with the ones determined from experimental ...
