PREDICTION OF FOLDING/UNFOLDING NUCLEI FOR tRNA MOLECULES L. B.
Prediction of RNA folding/unfolding nuclei provides a fresh look at the problems of multiple folding pathways of RNA molecules and stability of RNA. RNA misfolding is also an important problem. We have employed a mathematical model and have chosen energetic parameters to describe RNA structure. The algorithm previously developed for simulating the process of protein folding/unfolding has been successfully applied to tRNA structures. Four molecules of tRNA structures of that have been determined in a free state are considered in this work (tRNAPhe, tRNAAsp, tRNAfMet , tRNALys). Calculated Ф-values for four tRNA structures agree with the experimental data. According to experiment, nucleotides of D and T. hairpins are the last to be involved in the tRNA tertiary structure. More precisely, these nucleotides are not included in the tRNA folding/unfolding nucleus. High calculated Ф-values for nucleotides situated in the anticodon hairpin region demonstrate that the folding/unfolding nucleus is localized in this region of tRNA structures.