THE STATISTICS OF UNIQUE NATIVE STATES FOR RANDOM PEPTIDES

Given a probability distribution from which the energy spectrum of a r andom peptide is to be sampled, we derive a general expression for the probability that such a peptide will fold to a unique native state an d for the probability distribution of the native energy. This latter r esults allows us to localize the energy of folding based on the model parameters and is one advantage of our formulation. Evidence from both the lattice theory of proteins and protein threading experiments sugg est that the energy spectrum for the compact states of a peptide chain is Gaussian in form. For this reason we have derived from the more ge neral framework the specific formulas that apply in the Gaussian case, where one requires only the number of states and the variance of the Gaussian distribution in order to apply the theory. This simplicity al lows us to perform calculations that we compare with calculations prev iously made by others based on statistical thermodynamics. We find qua litative agreement, but a significant correction to prior estimates of folding probability derived from the Gaussian assumption is necessary . (C) 1996 John Wiley & Sons, Inc.