Dynamical asymmetry exposes 2019-nCoV prefusion spike

Susmita Roy

The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/2020.04.20.052290 doi: bioRxiv preprint Fig. S4 . Temperature dependence of S1-head up-down transition and RBD open-close breathing transition. A. Population distribution as a function of the of native inter-chain contacts formed in the S1-head-down state as shown in Fig. S1 . Four states emerge as shown in Fig. 3B . As temperature increases the population shifts more towards the S1-head-up state conformations indicating that S1-head-up states are more dynamic and entropically stable.Note that the dynamical transition between 1up-2down and 2up-1down states may tolerate a wide range of temperatures by a population shift mechanism. B. Population distribution as a function of the fraction of native intra-chain hinge-region contacts formed by the RBD. A bimodal distribution reflects the 'RBD-up' and the 'RBD-down' states for any individual chain being in trimeric spike. As the temperature increases, RBD-up started populating more. Temperature analysis helps to choose an intermediate temperature to obtain correct population distribution.