Analysis of protein structure stability by a thermodynamic energy function containing Ramachandran angle and interaction between two amino acids

摘要

PURPOSE: An analytical method of protein structure stability by thermodynamic energy function containing Ramachandran angle and interaction between two amino acids is provided, thereby easily determining whether the protein structure to be analyzed is natural structure. CONSTITUTION: The analytical method of protein structure stability by thermodynamic energy function containing Ramachandran angle and interaction between two amino acids comprises judging whether the new protein/protein group satisfies the mathematical equation 9 using the score parameters, wherein the score parameters are calculated by the mathematical equation 9 using the groups, wherein the groups comprise a plurality of training protein group showing the natural structure extracted from the protein data of which amino acid sequence and tertiary structure via X-ray determination are known; a training decoy structure protein group which is formed by corresponding the amino acid sequence of protein A having length of NA to from a first amino acid to NA amino acid of protein B having the same or longer length of NB than NA, and repeating the correspondence with increasing one amino acid position of protein B; score parameters calculated by the mathematical equation 9 using score function showing energy level when a sequence s has a structure of letter "L" and containing all kinds of amino acids and local environment; new protein/protein group which does not belong to the training protein group; and new decoy structure protein group which is formed by the same method of the training protein group using the training protein group.