Table 1. Experimental data ( Choudhary... | Rockefeller University Press

Table 1.

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

Number	Toxin residue	Channel residue	Strength of interaction^a	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

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.

According to Choudhary et al. (2007).