TABLE 1.

Energetic contribution of D158 to the binding of inhibitors

Ligand	${\mathbf{\Delta \Delta G}}_{\mathit{HB}}^{\mathbf{\text{o}}}$ (kcal/mol)	Percent of total binding energy
Radicicol (pH titration)	< −5.89	>53.1%
AUY922 (pH titration)	< −1.89	>17.0%
Radicicol	−5.97 ± 0.43	54.3% ± 4.1
AUY922	−6.19 ± 0.48	54.9% ± 4.3
HSP990	−5.73 ± 0.77	54.1% ± 6.6
STA‐9090	−4.06 ± 0.50	40.8% ± 5.4
EC144	−3.76 ± 0.23	37.1% ± 2.3
ATP	−3.29 ± 0.06	56.6% ± 1.1

Notes: Values for ${\mathrm{∆∆G}}_{\mathit{HB}}^{\mathrm{o}}$ are calculated as described in Methods. Measurements for the ${\mathrm{∆∆G}}_{\mathit{HB}}^{\mathrm{o}}$ calculated using Trap1 D158N were performed at pH 6.02 for radicicol and AUY922 and pH 6.91 for HSP990, STA‐990, EC144 and ATP. The error values are propagated from IC₅₀ and K _M measurements.