PERFECT TEMPERATURE FOR PROTEIN-STRUCTURE PREDICTION AND FOLDING

We have investigated the influence of the ''noise'' of inevitable errors in energetic parameters on protein structure prediction. Because of this noise, only a part of all the interactions operating in a protein chain can be taken into account, and therefore a search for the energy minimum becomes inadequate for protein structure prediction, One can rather rely on statistical mechanics: a calculation carried out at a temperature T* somewhat below that of protein melting gives the best possible, though always approximate prediction. The early stages of protein folding also ''take into account'' only a part of all the interactions; consequently, the same temperature T* is favorable for the self-organization of native-like intermediates in protein folding. (C) 1995 Wiley-Liss, Inc.