W. Gruner et al., ANALYSIS OF RNA SEQUENCE STRUCTURE MAPS BY EXHAUSTIVE ENUMERATION .2.STRUCTURES OF NEUTRAL NETWORKS AND SHAPE SPACE COVERING, Monatshefte fuer Chemie, 127(4), 1996, pp. 375-389
The relations between RNA sequences and secondary structures are inves
tigated by exhaustive folding of all GC and AU sequences with chain le
ngths up to 30. The technique of tries is used for economic data stora
ge and fast retrieval of information. The computed structural data are
evaluated through exhaustive enumeration and used as an exact referen
ce for testing analytical results derived from mathematical models and
sampling based on statistical methods. Several new concepts of RNA se
quence to secondary structure mappings are investigated, among them th
e structure of neutral networks (being sets of RNA sequences folding i
nto the same structure), percolation of sequence space by neutral netw
orks, and the principle of shape space covering. The data of exhaustiv
e enumeration are compared to the analytical results of a random graph
model that reveals the generic properties of sequence to structure ma
ppings based on some base pairing logic. The differences between the n
umerical and the analytical results are interpreted in terms of specif
ic biophysical properties of RNA molecules.