Time series of the distance d between the Cαs of L486 of RBD1 and L79 of ACE2 and F486 of RBD2 and L79 of ACE2.

Dashed lines indicate the starting point of independent simulations with the indicated numbers. The value of d ≥ 23 (Fig 3B) occurs a few times in case of RBD1-ACE2. Overall, the interactions between L486 and L79 in RBD1-ACE2 complex is shown to be weaker than corresponding F486 and L79 in RBD2-ACE2.

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