Table 4.

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

Mutation	Pyr 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
N51I	0.783			−0.351
C59R	0.184			−0.351
S108N	−1.297			−1.026
S108T	0.041			0.288
I164L	0.351			−0.735
A16V + S108T	−0.519	−0.770	−0.252	−3.973	−2.900	1.073
N51I + S108N	−1.890	−0.514	1.376	−1.314	−1.377	−0.063
C59R + S108N	−2.290	−1.113	1.177	−2.045	−1.377	0.668
N51I + C59R + S108N	−2.595	−0.330	2.265	−2.179	−1.727	0.452
C59R + S108N + I164L	−3.283	−0.763	2.520	−3.603	−2.112	1.491
N51I + C59R + S108N + I164L	−3.761	0.020	3.781	−3.339	−2.463	0.876

^*Data within 10% of experimental error.