TABLE 1.

The binding energy, number of conformations in the selected cluster and the amino acids involved in the interaction site for the four ligands tested.

	Binding energy kcal/mol	Number of conformations	Amino acids involved in the interaction site
Epinephrine	−4.08	2	Asp84; Arg86; Ala98; Tyr96; Asp100; Val107; Tyr125; Lys127
Norepinephrine	−4.49	4	Arg59; Asn83; Asp84; Arg86; Ala98; Asp100; Tyr125; Lys127
Phentolamine	−3.5	2	Ser56; Asp72; Asp100; Lys103; Lys127; Asn129
Propanolol	−4.39	5	Ser56; Asp72; Asp100; Val105; Lys127; Asn129