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Figure 2
Conformational heterogeneity. Boxes represent how data categories would be connected in the mmCIF format. We are using the CG atom on the Asp residue as our example. The categories shown are: atom (CG), compositional state, conformational state 1, conformational state 2 and occupancy. (a) Example 1: simple conformational heterogeneity with a single residue. (b) Example 2: layer conformational heterogeneity with layer one conformational heterogeneity being a loop and layer two conformational heterogeneity being additional heterogeneity in the Asp residue.

IUCrJ
Volume 11| Part 4| July 2024| Pages 494-501
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524005098