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. 2022 Dec 2;13:7428. doi: 10.1038/s41467-022-34055-5

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© The Author(s) 2022

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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Fig. 5 — a Analysis of promiscuous GPCRs in the framework of the LDA model trained on data from the original six structurally resolved GPCR:G protein complexes. The promiscuous GPCR:G protein interactions are plotted using the feature weightings used to compute Component 1 and Component 2 from the LDA analysis performed in Fig. 4. The promiscuous GPCRs are distinguished by color and denoted in the legend: ADRB2-TM with Gs (“B2TMs”, magenta), ADRB2-TM with Gq (“B2TMq”, cyan). The plotting of these promiscuous receptor interactions lie predominantly in the common space of the LDA model, suggesting the promiscuous receptor interactions with G proteins are represented by mostly non-distinguishing contacts. b Heatmap of contact frequencies for “common contacts” sampled in the promiscuous ADRB2-TM receptor. Source data are provided as Supplementary Data 3. c The promiscuous GPCRs studied here show stronger sampling (measured by mean frequency per residue) within the subspace of “common contacts” pairs (light gray), and less frequent sampling of G protein family “specific contact” pairs sampled within the G protein family to which they are coupled (medium gray). For the promiscuous ADRB2-TM, we calculated the mean frequency of subfamily specific contacts for the G protein-coupled within the simulation (ADRB2-TM:Gq, ADRB2-TM:Gs), and the mean frequency of subfamily specific contacts for the opposite G protein family, while coupled to one of the G proteins (ADRB2-TM:Gq with Gs-contacts, ADRB2-TM:Gs with Gq-contacts).