Protein tertiary structure prediction method

摘要

PROBLEM TO BE SOLVED: To provide a method for predicting each local structure of a three- dimensional structure of a protein from an amino acid sequence information of the protein having an unknown structure with high accuracy. SOLUTION: This method for predicting the three dimensional structure of a protein comprises a step 21 for outputting a positive example of the local structural range from the alignment of an inputted known structure and unknown protein amino acid sequence, a step 22 for outputting a negative example of the local structural range from the alignment of an inputted an amino acid sequence of the protein having a known three-dimensional structure, and a step 23 for calculating an estimate value of an actual value parameter of a stochastic rule from kinds of amino acids and actual value properties of the drilling data obtained from the inputted positive and negative examples. Further, the method comprises a step 24 for determining the structure of a stochastic rule expressing dependency between variables corresponding to each residue position based on an information criterion, a step 25 for outputting activities showing an accuracy of each range of the inputted test data sequence being a local structure by using the stochastic rule, and step 26 for outputting the optimum value by using the inputted activities.