Table 2.

Steering and Umbrella Sampling Parameters.

$\mathit{Steered}$$\mathit{CarboranebyCavity}$	$\mathit{Steering}$$\mathit{Direction}$	$\mathit{Steering}{k}_S$$\left(kJ{\mathit{mol}}^{-1}{\mathit{nm}}^{-2}\right)$	$\mathit{Steering}$	$\mathit{Umbrella}{k}_U\left(kJ{\mathit{mol}}^{-1}{\mathit{nm}}^{-2}\right)$
$X\alpha$	$\mathit{longitudinal}-N$	$2000$	$Ile11A$	$k=2000,5000$
$X\beta$	$\mathit{transverse}$	$4000$	$Arg22A$	$k=2000,5000,10000,15000$
$X\beta$	$\mathit{longitudinal}-C$	$1000$	$Leu15A$	$k=5000,15000$
$X\beta$	$\mathit{longitudinal}-N$	$1000$	$Ile30A$	$k=5000$
$X\gamma$	$\mathit{transverse}$	$4000$	$Arg33A$	$k=1000,2000,5000,10000$
$X\delta$	$\mathit{transverse}$	$4000$	$Asn44A$	$k=4000,5000,8000$