LINUS: A HIERARCHIC PROCEDURE TO PREDICT THE FOLD OF A PROTEIN

摘要: We describe LINUS, a hierarchic procedure to predict the fold of protein from its amino acid sequence alone. The algorithm, which has been implemented in computer program, was applied large, overlapping fragments diverse test set 7 X-ray-elucidated proteins, with encouraging results. For all proteins but one, overall fragment topology is well predicted, including both secondary and supersecondary structure. algorithm also molecule unknown conformation, groES, X-ray structure determination presently ongoing. LINUS an acronym for Local Independently Nucleated Units Structure. ascends folding hierarchy discrete stages, concomitant accretion at each step. chain represented by simplified geometry folds under influence primitive energy function. only accurately described energetic quantity this work hard sphere repulsion--the principal force involved organizing conformation [Richards, F. M. Ann. Rev. Biophys. Bioeng. 6:151-176, 1977]. Among other applications, method natural tool use human genome initiative.