title: Prediction of probable pathways of folding in globular proteins.
abstract: A method is described for the prediction of probable folding pathways of globular proteins, based on the analysis of distance maps. It is applicable to proteins of unknown spatial structure but known amino acid sequence as well as to proteins of known structure. It is based on an objective procedure for the determination of the boundary of compact regions that contain high densities of interresidue contacts on the distance map of a globular protein. The procedure can be used both with contact maps derived from a known three-dimensional protein structure and with predicted contact maps computed by means of a statistical procedure from the amino acid sequence alone. The computed contact map can also be used to predict the location of compact short-range structures, viz. alpha-helices and beta-turns, thereby complementing other statistical predictive procedures. The method provides an objective basis for the derivation of a theoretically predicted pathway of protein folding, proposed by us earlier [Tanaka and Scheraga (1977) Macromolecules 10, 291-304; Némethy and Scheraga (1979) Proc. Natl. Acad. Sci., U.S.A. 76, 6050-6054].
authors.affiliation: Baker Laboratory of Chemistry, Cornell University, Ithaca, New York 14853-1301.
authors.forename: T
authors.initials: T
authors.lastname: Kikuchi
authors.forename: G
authors.initials: G
authors.lastname: Némethy
authors.forename: H A
authors.initials: HA
authors.lastname: Scheraga
mesh_terms: D000263:Adenylate Kinase; D000818:Animals; D002645:Chickens; D004527:Egg Proteins; D005260:Female; D009113:Muramidase; D009211:Myoglobin; D010206:Papain; D011487:Protein Conformation; D012697:Serine Endopeptidases; D013482:Superoxide Dismutase; D029701:Saccharomyces cerevisiae Proteins
chemical_list: D000263:Adenylate Kinase; D004527:Egg Proteins; D009113:Muramidase; D009211:Myoglobin; D010206:Papain; D012697:Serine Endopeptidases; D013482:Superoxide Dismutase; C023302:yeast proteinase B; D029701:Saccharomyces cerevisiae Proteins