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Figure 9
Handling alternate conformations. (a) Use peak heights to assign consistent alternate IDs, including partial occupancies for interacting waters, which was not performed here. Leu105 from PDB entry 1gwe at 1.2 and 3σ. (b) When any alternate backbone atom is widely separated, do not rejoin alternates until the flanking Cα atoms in order to avoid bad geometry. Here, for Asp42 from PDB entry 1w0n, there are bond-length outliers up to 8σ and bond-angle outliers up to 12σ.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 74| Part 2| February 2018| Pages 132-142
https://doi.org/10.1107/S2059798317009834
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