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. Author manuscript; available in PMC: 2022 Jun 1.
Published in final edited form as: Proteins. 2021 Mar 2;89(6):731–741. doi: 10.1002/prot.26055

Figure 5: Stability of the A1A2 complex along room temperature simulations.

Figure 5:

(a) Averages and standard deviations of the Cα RMSD from the initial conformation calculated over the last 40 ns of in total 50-ns long simulations performed at 300 K with the A1A2 complex models. (b) Averages and standard deviations of the SASA buried at the inter-domain interface between A1 and A2 calculated over the last 10 ns of in total 50-ns long simulations with the complex models. The labels “sim1” and “sim2” refer to the two independent simulations run for each A1A2 complex model.