RNA Secondary Structures with Given Motif Specification: Combinatorics and Algorithms

Abstract

The study of native motifs of RNA secondary structures helps us better understand the formation and eventually the functions of these molecules. Commonly known structural motifs include helices, hairpin loops, bulges, interior loops, exterior loops and multiloops. However, enumerative results and generating algorithms taking into account the joint distribution of these motifs are sparse. In this paper, we present progress on deriving such distributions employing a tree-bijection of RNA secondary structures obtained by Schmitt and Waterman and a novel rake decomposition of plane trees. The key feature of the latter is that the derived components encode motifs of the RNA secondary structures without pseudoknots associated with the plane trees very well. As an application, we present an algorithm (RakeSamp) generating uniformly random secondary structures without pseudoknots that satisfy fine motif specifications on the length and degree of various types of loops as well as helices.

Keywords: Helix; Loop; Plane tree; RNA secondary structure; Rake decomposition; Uniform sampling.