Fig. 5: Subtilisin A induces swinging of CVA9 VP1 DE loop and leads to a fight-sensor swimming response of the C-terminal end VP1 sequence.

a Predictive timeline of Subtilisin A recruitment to CVA9 protomer. For the two ranks showing a binding to Subtilisin A, each timeline is composed of 6 simulation cycles and the number of interatomic contacts (ICs) is specified in each frame. b Analysis of the recruitment of Subtilisin A on CVA9 capsid by overlaying the CVA9 protomer modeled during 12 simulation cycles in the presence of the enzyme. Subtilisin A was removed from the structural file to better assess predictive viral protein trajectories. On the upper part of the figure, (1) the swinging effect indicates the predictive trajectory induced by a binding with Subtilisin A to the VP1 DE loop. On the right part of the figure, (2) the sweeping effect and (3) the swimming effect correspond to the two sensor-response trajectories of the VP1 C-terminal end segment. c Comparative trajectories induced by Subtilisin A and BPT binding on the VP1 DE loop of CVA9 after 3, 6, and 12 simulation cycles. d Comparative sensor-response trajectories observed after binding of the DE loop with Subtilisin A or BPT. On the right representation, 0.85 nm corresponds to the maximum additional distance swam by the VP1 C-terminal end segment (stretched form) after 12 simulation cycles with Subtilisin A.