Protein structure analysis method, protein structure analysis apparatus, program, and recording medium

摘要

The present invention measures the fragmentation spectrum are fragmented into fragment ions due hexapole CID method the ions and ionized by electrospray ionization for the target protein for predicting the three-dimensional structure. Then, based on the fragmentation spectrum measured, the present invention determines the assignment information of the fragment ion to the amino acid sequence of the protein of interest. Then, the assignment information of the fragment ions are determined, the present invention determines the scissile domain information in the amino acid sequence of the protein of interest according to the location to identify the points that have been fragmented into fragment ions in the amino acid sequence of the protein of interest to. The present invention predicts the three-dimensional structure for the target protein. The present invention outputs in correspondence with the scissile area information determined to be three-dimensional structure prediction data predicted.