Table4

		H-bond of NOV-GLU235
Protonation	Ligand	Possible	Observed	ΔG
pH7	NOV(P)	2	2	-46.26
pH7	NOV(R)	1	1	-24.31
pH7	NOV(S)	1	1	-27.1
pH5X	NOV(P)	1	1	-9.62
pH5X	NOV(R)	2	1	-13.45
pH5X	NOV(S)	2	12	-21.73

Table 4: Number of H-bonds formed between GLU235 and the nitrogen atom of NOV. NOV(P) at pH 7 provided two H-bonds (see also Figure 5A) and the lowest binding free energy change (kcal/ mol).