view article
Figure 3
Structure maps of a set of 30 models obtained by an NMA-based approach called adaptive ANM over an open–closed transition of the chaperonin CCT from our previous study (Zhang et al., 2021bBB34) using (top) the deformation distance d1, (middle) the correlation distance d2 and (bottom) the minimum entropy consensus followed by an MDS analysis of the corresponding distance matrices. The open conformation is labelled as C30 and the closed one is C1. The intermediates predicted along low-frequency modes starting from the open state are labelled C29, C28 etc., whereas the vicinity of C1 populates conformers reached by high-frequency modes. The latter is relatively more sensitive to the metric used in the Zernike3D-based evaluation (compare d1 in the top panel and d2 in the middle panel). The consensus path (bottom) provides an optimal solution based on the convex combination of the structure mappings shown in the top and middle plots in such a way that the entropy of the final mapping is minimized.

IUCrJ
Volume 8| Part 6| November 2021| Pages 992-1005
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521008903