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A topological RNA structure is derived from a diagram and its shape is obtained by collapsing the stacks of the structure into single arcs and by removing any arcs of length one. Shapes contain key topological, information and for fixed topological genus there exist only finitely many such shapes. We shall express topological RNA structures as unicellular maps, i.e. graphs together with a cyclic ordering of their half-edges. In this paper we prove a bijection of shapes of topological RNA structures. We furthermore derive a linear time algorithm generating shapes of fixed topological genus. We derive explicit expressions for the coefficients of the generating polynomial of these shapes and the generating function of RNA structures of genus $g$. Furthermore we outline how shapes can be used in order to extract essential information of RNA structure databases.
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In this paper we study properties of topological RNA structures, i.e.~RNA contact structures with cross-serial interactions that are filtered by their topological genus. RNA secondary structures within this framework are topological structures having genus zero. We derive a new bivariate generating function whose singular expansion allows us to analyze the distributions of arcs, stacks, hairpin- , interior- and multi-loops. We then extend this analysis to H-type pseudoknots, kissing hairpins as well as $3$-knots and compute their respective expectation values. Finally we discuss our results and put them into context with data obtained by uniform sampling structures of fixed genus.
Given a random RNA secondary structure, $S$, we study RNA sequences having fixed ratios of nuclotides that are compatible with $S$. We perform this analysis for RNA secondary structures subject to various base pairing rules and minimum arc- and stack-length restrictions. Our main result reads as follows: in the simplex of the nucleotide ratios there exists a convex region in which, in the limit of long sequences, a random structure a.a.s.~has compatible sequence with these ratios and outside of which a.a.s.~a random structure has no such compatible sequence. We localize this region for RNA secondary structures subject to various base pairing rules and minimum arc- and stack-length restrictions. In particular, for {bf GC}-sequences having a ratio of {bf G} nucleotides smaller than $1/3$, a random RNA secondary structure without any minimum arc- and stack-length restrictions has a.a.s.~no such compatible sequence. For sequences having a ratio of {bf G} nucleotides larger than $1/3$, a random RNA secondary structure has a.a.s. such compatible sequences. We discuss our results in the context of various families of RNA structures.
In this paper we introduce a novel, context-free grammar, {it RNAFeatures$^*$}, capable of generating any RNA structure including pseudoknot structures (pk-structure). We represent pk-structures as orientable fatgraphs, which naturally leads to a filtration by their topological genus. Within this framework, RNA secondary structures correspond to pk-structures of genus zero. {it RNAFeatures$^*$} acts on formal, arc-labeled RNA secondary structures, called $lambda$-structures. $lambda$-structures correspond one-to-one to pk-structures together with some additional information. This information consists of the specific rearrangement of the backbone, by which a pk-structure can be made cross-free. {it RNAFeatures$^*$} is an extension of the grammar for secondary structures and employs an enhancement by labelings of the symbols as well as the production rules. We discuss how to use {it RNAFeatures$^*$} to obtain a stochastic context-free grammar for pk-structures, using data of RNA sequences and structures. The induced grammar facilitates fast Boltzmann sampling and statistical analysis. As a first application, we present an $O(n log(n))$ runtime algorithm which samples pk-structures based on ninety tRNA sequences and structures from the Nucleic Acid Database (NDB).
Recently several minimum free energy (MFE) folding algorithms for predicting the joint structure of two interacting RNA molecules have been proposed. Their folding targets are interaction structures, that can be represented as diagrams with two backbones drawn horizontally on top of each other such that (1) intramolecular and intermolecular bonds are noncrossing and (2) there is no zig-zag configuration. This paper studies joint structures with arc-length at least four in which both, interior and exterior stack-lengths are at least two (no isolated arcs). The key idea in this paper is to consider a new type of shape, based on which joint structures can be derived via symbolic enumeration. Our results imply simple asymptotic formulas for the number of joint structures with surprisingly small exponential growth rates. They are of interest in the context of designing prediction algorithms for RNA-RNA interactions.
The effect of polyvalent molecular cations, such as spermine, on the condensation of DNA into very well-defined toroidal shapes have been well studied and understood. However, a great effort has been made trying to obtain similar condensed structures from either ssRNA or dsRNA, which the latter carries similar negative charge density as dsDNA, although it adopts a different helical form. But the analogous condensation of RNA molecules into well-defined structures has so far been elusive. In this work, we show that ssRNA molecules can easily be condensed into nanoring structures on a mice surface, where each nanoring structure is formed mostly by a single RNA molecule. The condensation occurs in a concentration range of different atomic cations, from monovalent to trivalent. The structures of the RNA nanorings on mica surfaces were oberved by atomic force microscopy (AFM). The samples were observed in tapping mode and were prepared by drop evaporation of a solution of RNA in the presence of one type of the different cations used. As far as we know, this is the first time that nanorings or any other well-defined condensed RNA structures have been reported. The RNA nanorings formation can be understood by an energy competition between the hydrogen bonding forming hairpin stems, weakened by the salts, and hairpin loops. This results may have an important biological relevance, since it has been proposed that RNA is the oldest genome coding molecule and the formation of these structures could have given it stability against degradation in primeval times. Even more, the nanoring structures could have the potential to be used as biosensors and functionalized nanodevices.
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