Fitness, stability, and conformational entropy of single amino acid mutations.

Below wildtype, the mutations are ordered by descending fitness.aSubstitutions come from Rokyta et al. [14] and Miller et al. [15].bFitness is defined as population doublings per hour.cThermal decay rate is a proportion of the ancestral decay rate; values less than 1.0 are more stable than ancestor.dΔΔG in units of kcal/mol is estimated protein-protein interaction via molecular dynamics simulation; values less than 0.0 indicate more stable than ancestor.eConformational entropy, ΔS, in units of kcal/mol K is estimated via molecular dynamics simulation.*Estimates are median values of individual data points.**95% confidence intervals are based on +/- 3.2 absolute errors (see Appendix S1).***95% confidence intervals based on +/- 2.5 absolute errors. The difference in number of absolute errors used reflects differences in sample size.