Protonation pattern calculations, proteins

A related application for RDCs has also been described based on the sequence-dependent pattern of RDCs along a helical structure, called a dipolar wave by the Opella group [317, 352, 353]. The magnitude and periodicity of the dipolar wave depends on the orientation of the helix, and can allow irregularities in helix structure to be identified. Most commonly, dipolar waves have been used to help determine the location of helices in a protein sequence, allowing these structural elements to be more rigidly restrained over the course of a structure calculation [57,159, 323, 354]. This is particularly useful for larger helical membrane proteins, since a-helices are not well defined by the NOEs available in sparsely protonated samples [262]. 

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