We underline how all the analyses reported above are purely bottom-up, meaning that all information on the AEs, their similarity, classification, and dynamics are reconstructed only from the MD trajectories and in an unbiased data-driven way. At the same time, such data-driven analyses are not always straightforward to interpret. For example, given the surface of such NPs is in continuous motion and new non-native states may also emerge in these NPs (e.g., concave ones), a relevant question is whether such new non-native emerging AEs are closer to the native ones (proper of that type of ideal NP) or, e.g., to other AEs native of different types of NPs. To answer such questions and obtain a more complete picture, we employed a different