Free energies and interaction energies for Pyr and Cyc binding of multiple and the component mutations

MutationPyr binding, kcal/mol Cyc binding, kcal/mol
Free energy*Interaction energy, ΔΔG°Free energy*Interaction energy, ΔΔG°
Observed ΔG°Sum ΔG°Observed ΔG°Sum ΔG°
A16V−0.811−3.187
N51I0.783−0.351
C59R0.184−0.351
S108N−1.297−1.026
S108T0.0410.288
I164L0.351−0.735
A16V + S108T−0.519−0.770−0.252−3.973−2.9001.073
N51I + S108N−1.890−0.5141.376−1.314−1.377−0.063
C59R + S108N−2.290−1.1131.177−2.045−1.3770.668
N51I + C59R + S108N−2.595−0.3302.265−2.179−1.7270.452
C59R + S108N + I164L−3.283−0.7632.520−3.603−2.1121.491
N51I + C59R + S108N + I164L−3.7610.0203.781−3.339−2.4630.876
  • Data within 10% of experimental error.