Model validation: local diagnosis, correction and when to quit

Richardson, J.S.; Williams, C.J.; Hintze, B.J.; Chen, V.B.; Prisant, M.G.; Videau, L.L.; Richardson, D.C.

doi:10.1107/S2059798317009834

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 14
Likelihood-based choice of cis versus trans peptides. (a) Original cis model of Lys–Gly270 in PDB entry 2cn3, with a decent fit to the contours at 1.2 and 3σ. (b) Model rebuilt as trans, with even better fit, a hydrogen bond rather than a clash, and a log-likelihood gain of 75.6, plus eight units better log prior probability.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 74| Part 2| February 2018| Pages 132-142

https://doi.org/10.1107/S2059798317009834

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