Contact model for the prediction of NMR NH order parameters in globular proteins

F Zhang, R Brüschweiler

Index: Zhou, Yong-Gui; Tang, Wenjun; Wang, Wen-Bo; Li, Wenge; Zhang, Xumu Journal of the American Chemical Society, 2002 , vol. 124, # 18 p. 4952 - 4953

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Citation Number: 91

Abstract

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 ...