Table 1.

Experimental data (Choudhary et al., 2007) used to dock GIIIA

Number	Toxin residue	Channel residue	Strength of interactiona	Coupling energy
				kcal/mol
1	K9	E403	medium	1.8
2	K11	D1241	strong	1.9
3	K11	D1532	strong	2
4	D12	T759	medium	1.4
5	R13	E403	strong	2
6	R13	E758	strong	3
7	R13	K1237	medium	1.3
8	K16	D1241	strong	1.9
9	K16	D1532	medium	1.4
11	R19	D1241	medium	1.6
12	R19	D1532	strong	1.9

Contacts, which were used to impose constraints in the docking procedure, are underlined.

^aAccording to Choudhary et al. (2007).