Table 3

Ligand recognition energistics of single and combined TM mutants

	CFT Recognition		Dopamine Recognition
	ΔG^o	ΔΔG^o	ΔΔG^o_int	ΔG^o	ΔΔG^o	ΔΔG^o_int
	kcal/mol
WT	9.77 ± 0.21			11.99 ± 0.21
T4	9.30 ± 0.04	0.47 ± 0.10		12.22 ± 0.03	−0.23 ± 0.11
T5	9.16 ± 0.12	0.61 ± 0.12		11.62 ± 0.35	0.37 ± 0.22
F361A	9.44 ± 0.11	0.33 ± 0.11		11.96 ± 0.23	0.03 ± 0.14
T11	9.64 ± 0.05	0.13 ± 0.10		12.42 ± 0.05	−0.43 ± 0.11
T4 + 5	8.90 ± 0.18	0.87 ± 0.14	−0.21 ± 0.12	10.45 ± 0.20	1.54 ± 0.15	1.40 ± 0.17^**
T4 + F	9.14 ± 0.06	0.63 ± 0.10	−0.18 ± 0.10	12.16 ± 0.60	−0.17 ± 0.44	0.04 ± 0.32
T4 + 11	8.79 ± 0.15	0.98 ± 0.13	0.37 ± 0.11^3-150	13.36 ± 0.43	−1.37 ± 0.24	−0.70 ± 0.16^3-150
T5 + F	8.88 ± 0.10	0.89 ± 0.11	−0.05 ± 0.11	11.75 ± 0.29	0.24 ± 0.20	−0.15 ± 0.18
T5 + 11	9.00 ± 0.12	0.76 ± 0.11	0.02 ± 0.11	13.51 ± 0.33	−1.52 ± 0.22	−1.45 ± 0.20^**
F + T11	9.07 ± 0.02	0.70 ± 0.09	0.24 ± 0.10^3-150	13.14 ± 0.30	−1.15 ± 0.20	−0.74 ± 0.15^3-150
T4 + 5 + F	8.67 ± 0.06	1.10 ± 0.10	−0.32 ± 0.12^3-150	10.64 ± 0.36	1.35 ± 0.23	1.19 ± 0.21^**
T4 + 5 + 11	9.14 ± 0.11	0.63 ± 0.11	−0.59 ± 0.12^**	13.04 ± 0.19	−1.05 ± 0.14	−0.76 ± 0.18^**
T5 + F + 11	8.66 ± 0.20	1.11 ± 0.15	−0.18 ± 0.13	12.81 ± 0.07	−0.82 ± 0.12	−0.37 ± 0.18^3-150
T4 + F + 11	9.12 ± 0.10	0.64 ± 0.11	−0.29 ± 0.12^3-150	10.96 ± 0.38	1.03 ± 0.29	1.67 ± 0.24^3-150
T4 + 5 + F + 11	8.96 ± 0.03	0.81 ± 0.09	−0.74 ± 0.13^**	10.91 ± 0.21	1.08 ± 0.18	1.35 ± 0.22^3-150

Gibbs free energies (ΔG^o), its change (ΔΔG^o), and interaction energy (ΔΔG^o_int) are calculated as described inMaterials and Methods.

↵3-150 P < .5, ** P < .1, ΔΔG^o_AB versus (ΔΔG^o_A + ΔΔG^o_B).