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. 2021 Feb 4;18(2):156–164. doi: 10.1038/s41592-020-01051-w

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Extended Data Fig. 4 — Target 4 (ADH) density map with examples of modeling errors caused by omission of Zinc ligand. a, Reference structure with Zinc metal ion (gray ball) coordinated by 4 Cysteine residues (blue sidechains). b-e, Submitted models missing Zinc (labels indicate the group_model ids). All have geometry and/or conformational violations as flagged by MolProbity CaBLAM (magenta pseudobonds), cis-nonPro (green parallelograms), Ramachandran (green pseudobonds), Cbeta (magenta spheres), and angle (blue and red fans). Model (b) has backbone conformation very close to correct, while (b) and (c) both have flags indicating bad geometry of incorrect disulfide bonds. Models (c) and (d) have backbone distortions, and (e) is mistraced through the Zn density. Molecular graphics were generated using KiNG.