Computer assignment of the backbone resonances of labelled proteins using two-dimensional correlation experiments.
We present ALPS (Assignment for Labelled Protein Spectra), a flexible computer program for the automatic assignment of backbone NMR resonances of (15)N/(13)C-labelled proteins. The program constructs pseudoresidues from peak-picking lists of a set of two-dimensional triple resonance experiments and uses either a systematic search or a simulated annealing-based optimization to perform the assignment. This method has been successfully tested on two-dimensional triple resonance spectra of Rhodobacter capsulatus ferrocytochrome c (2) (116 amino acids).
Institut de Biologie Structurale-Jean Pierre Ebel, C.E.A.-C.N.R.S., 41 Avenue des Martyrs, F-38027, Grenoble Cedex, France.
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Morelle
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Brutscher
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Simorre
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Marion