TABLE 1.

Monte Carlo simulated annealing of C-tail rhodopsin/arrestin: energetics and RMS compared to starting structures

Simulation	ΔG (Kcal/mol), tail	ΔG (Kcal/mol), arrestin	CαRMS tail	CαRMS arrestin	CαRMS complex
Wild-type	−174.68	−3591.63	0.694	0.157	0.566
ALA mutant	−149.06	−3507.95	0.461	0.090	0.290
GLU mutant	−171.29	−3501.23	5.58	0.56	1.67
ASP mutant	−188.83	−3523.45	5.269	0.133	1.902

ΔG = free energy of the final structure, relative to the unfolded state.