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Validation metrics of the refined atomic model of the FBNSV icosahedral capsid (PDB-6S44).

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posted on 2023-01-09, 18:40 authored by Stefano Trapani, Eijaz Ahmed Bhat, Michel Yvon, Joséphine Lai-Kee-Him, François Hoh, Marie-Stéphanie Vernerey, Elodie Pirolles, Mélia Bonnamy, Guy Schoehn, Jean-Louis Zeddam, Stéphane Blanc, Patrick Bron

(A) Global validation metrics values, percentile scores (ranging between 0–100), and number of entries on which the scores are based. (B) Excerpt from the wwPDB validation report. The first (top) graphic for the CP chain summarises the proportions of the various outlier classes displayed in the second (bottom) graphic. A dot represents fractions ≤ 5%. The upper red bar indicates the fraction of residues that have poor fit to the EM map (all atom inclusion < 40%). The second graphic shows the sequence view annotated by issues in geometry and atom inclusion in map density. Residues are colour-coded according to the number of geometric quality criteria for which they contain at least one outlier: green = 0, yellow = 1, orange = 2 and red = 3 or more. A red diamond above a residue indicates a poor fit to the EM map for this residue (all atom inclusion < 40%). Stretches of 2 or more consecutive residues without any outlier are shown as a green connector. Residues present in the sample, but not in the model, are shown in grey.

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