Universal similarity measure for comparing protein structures

We introduce a new variant of the root mean square distance (RMSD) for comparing protein structures iv,hose range of values is independent of protean size. This new, dimensionless measure (relative RMSD, or RRMSD) is zero between identical structures and one between structures that are as globally dissimilar as an average pair of random polypeptides of respective sizes. The RRMSD probability distribution between random polypeptides converges to a universal curve as the chain length increases. The correlation coefficients between aligned random structures are computed as a function of polypeptide size showing taro characteristic lengths of 4.7 and 37 residues. These lengths mark the separation between phases of different structural order between native protein fragments. The implications for threading are discussed. (C) 2001 John Wiley & Sons, Inc.