LARGE-SCALE PROTEIN-STRUCTURE MODELING OF THE SACCHAROMYCES-CEREVISIAE GENOME

The function of a protein generally is determined by its three-dimensi onal (3D) structure, Thus, it would be useful to know the 3D structure of the thousands of protein sequences that are emerging from the many genome projects. To this end, fold assignment, comparative protein st ructure modeling, and model evaluation were automated completely. As a n illustration, the method was applied to the proteins in the Saccharo myces cerevisiae (baker's yeast) genome. It resulted in all-atom 3D mo dels far substantial segments of 1,071 (17%) of the yeast proteins, on ly 40 of which have had their 3D structure determined experimentally, Of the 1,071 modeled past proteins, 236 were related clearly to a prot ein of known structure for the first time; 41 of these previously have not been characterized at all.