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Phosphorothioation,with sulfur replacing a nonbridging oxygen of phosphate,has emerged as a new type of epigenetic modification in microbial genomes.To understand structural effects of the thio-substituted DNA,we have established the scoring function that evaluates backbone energy change from phosphate to phosphorothioate based on DNA crystallographic database(NDB)and quantum calculations,in which the squared correlation coefficients r2 reached 0.90-0.95.