Methods, systems, algorithms and means for describing the possible conformations of actual and theoretical proteins and for evaluating actual and theoretical proteins with respect to folding, overall shape and structural motifs

摘要

Methods, systems, algorithms and means for describing, analyzing and predicting protein folding motifs and other structures are provided. In one aspect, the Protein Folding Shape Code (PFSC) methods, systems, algorithms and means of the present invention apply generally to all of the categories of protein analysis and description, and are especially relevant to the geometric analysis and descriptions of proteins from their respective sequences or sequence portions. In a novel approach, the present inventions render analysis with respect to the alpha carbons of five-amino acid elements of a protein, utilizing available data to derive torsion angles and pitch distances, to thereby generate a series of overlapping analysis that can be expressed by a plurality of 27 vectors. Methods, systems and algorithms of the invention can be embodied in any computing device or portion thereof, and are adaptable to describe, analyze and predict the folding and other three-dimensional aspects of the structures of biomolecules such as nucleic acids, carbohydrates and glycoproteins. As yet another advantage, the present invention is adaptable as a tool for describing the conformations of many other organic molecules, and are thus especially suitable for use in the design of drugs, and the discovery and design of molecules which are to be adapted to interact with drugs.