METHOD OF CALCULATING PROTEIN SEQUENCE FRAGMENT ENTROPY, AND PROGRAM FOR THE METHOD

摘要

PROBLEM TO BE SOLVED: To provide a method of calculating protein sequence fragment entropy, which can calculate entropy with high accuracy and sharply reduce a calculation amount.

SOLUTION: In the calculation method of calculating entropy Si0-j0concerned with the structural diversity of a protein sequence fragment (a sequence region with i0as an initial residue and with j0as a final residue) which is naturally or artificially given, sequence-dependent entropy Ssi0-j0and sequence-non-dependent entropy Sci0-j0are defined based on statistical data including inter-atom distance distribution and main-chain dihedral angles with respect to separation and distance on main-chain atoms, which are statistically calculated from protein structures stored in protein structure database, and delta entropyΔSio-jo=Ssi0-j0-Sci0-j0which is a difference between the defined sequence-dependent entropy Ssi0-j0and the defined sequence-non-dependent entropy Sci0-j0is approximately calculated with high accuracy.

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