Graphical interpretation of Boolean operators for protein NMR assignments.
We have developed a graphics based algorithm for semi-automated protein NMR assignments. Using the basic sequential triple resonance assignment strategy, the method is inspired by the Boolean operators as it applies "AND"-, "OR"- and "NOT"-like operations on planes pulled out of the classical three-dimensional spectra to obtain its functionality. The method's strength lies in the continuous graphical presentation of the spectra, allowing both a semi-automatic peaklist construction and sequential assignment. We demonstrate here its general use for the case of a folded protein with a well-dispersed spectrum, but equally for a natively unfolded protein where spectral resolution is minimal.
Verdegem
Dries
D
Unité de Glycobiologie Structurale et Fonctionelle, UMR 8576 CNRS, IFR 147, Université des Sciences et Technologies de Lille, 59655, Villeneuve d'Ascq, France.
Dijkstra
Klaas
K
Hanoulle
Xavier
X
Lippens
Guy
G