Protein structural analysis from solid state NMR derived orientational constraints

T. Cross, M. Brenneman, J. Quine

High resolution orientational constraints from solid state NMR spectroscopy of uniformly aligned biological macromolecules provides a great structural analysis problem. Several approaches to this problem have been made in the past. Here a vector algebra method is developed hat provides analytical solutions for the torsion angles and a very concise and simple view of the structural possibilities. Numerical instabilities in this approach are easily predicted. Insight into how the structural ambiguities arise in the first place and how they can be reduced in number is demonstrated with this new approach. As a result significant advantage is demonstrated over the previous analysis methods.