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Figure 5
FLEXR produces different multi-conformer models. (a) The fraction of residues with alternative conformations in deposited models (light blue), re-refined deposited models (light orange), FLEXR (green), qFit with no backbone modeling (dark orange) and qFit (pink). (b) The distribution of occupancies of alternative side-chain conformations; bars indicate medians. (c) Distribution of the number of alternative conformations for each residue with more than one conformation (i.e. multi-conformer residues), on a log scale. Values for individual models are given in Supplementary Figs. S14–S16. (d) Venn diagram of rotamers shared between the structures (n = 9) across modeling methods. (e) The percentage of rotamers produced by qFit and FLEXR that match rotamers present in the deposited models. (f) The percentage of non-identical rotamers.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 79| Part 5| May 2023| Pages 354-367
https://doi.org/10.1107/S2059798323002498
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