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Figure 10
High pLDDT does not always indicate local correctness. (a) Despite very high pLDDT scores of 93.9 and 90.5, respectively, Leu297 and Trp322 were predicted with incorrect rotamers. The loop following Trp322 was also badly wrong (albeit at significantly lower confidence). (b) The region may be straightforwardly rebuilt in ISOLDE after selectively releasing the local reference restraints. In both panels, maps were calculated on-the-fly by ISOLDE. Cyan wireframe, 2mFo − DFc at 1.5σ; cyan surface, 2mFo − DFc (Bsharp = 30 Å2) at 2σ; green and red wireframe, mFo − DFc at +3σ and −3σ, respectively.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 78| Part 11| November 2022| Pages 1303-1314
https://doi.org/10.1107/S2059798322010026
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