Atom neighbor pair autocorrelation lag times (in ns) were estimated by fitting autocorrelation data to an exponential decay function using SciPy and are presented in Supplemental Table . There are several glycoform models that have no lag time ("NA" in Supplemental Table ) and this is because for these trajectories, no occlusion was found. The lag times were used to estimate the independent occlusion states sampled throughout the simulation by dividing the total simulation time by the subsequent lag times.