. Author manuscript; available in PMC: 2023 Jun 2.

Published in final edited form as: Structure. 2022 Apr 8;30(6):851–861.e5. doi: 10.1016/j.str.2022.03.010

Table 1.

Fitting statistics for restrained Gaussian Model

Variant	Radical	% Undocked
H377A	ASQ	100^*
H378A	ASQ	100^*
H377AIH378A	ASQ	100^*
H377AIL405EIC416N	NSQ	57 ± 5^**
H378AIL405EIC416N	NSQ	26 ± 6^**
H377AIH378AIL405EIC416N	NSQ	45 ± 6^**

^(*)

The ⟨R⟩,σ the docked and undocked states are (29.3, 2.0 Å) and (39.5, 6.8 Å), respectively. H377A, H378A, and AA are all WT-like and were best fit using one-component of the undocked state.

^(**)

The uncertainty values obtained for the EN variants are for n = 3 samples. Refer to Table S2 for more details on fitting parameters and corresponding residual error.