TABLE 2.

Results of docking calculations^a

FabB			FabB (F390V)			FabB (F390L)
Free energy (kJ/mol)	RMS		Free energy (kJ/mol)	RMS		Free energy (kJ/mol)	RMS
−14.15	0.74		−9.86	1.26		−13.79	0.77
−13.38	0.67		−7.84	4.26		−10.50	1.04
−13.17	0.45		−7.22	1.30		−10.34	0.63
−13.11	0.73		−4.27	13.72		−10.09	1.16
−12.96	0.89		−4.11	14.07		−9.79	1.04
−12.77	0.54		−4.09	13.89		−9.78	1.16
−12.66	0.55		−4.07	13.90		−9.06	0.74
−11.72	0.91		−4.01	9.39		−8.97	0.67
−11.35	0.51		−4.01	9.39		−8.31	0.65
−10.98	1.30		−3.99	13.69		−7.69	0.41

^aThe top 10 scoring solutions are shown. RMS values are derived from differences between the coordinates of modeled TLM and the coordinates of TLM from the crystal structure of the FabB-TLM binary complex (32).