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. 2023 Aug 19;6:864. doi: 10.1038/s42003-023-05241-y

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© The Author(s) 2023

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. 2 — a Contact map between CDR-H3 and FWR2 in extended CDR-H3 structures (n = 100). The blue heatmap intensity represents the fraction of structures where a particular pair of residues interact with each other (see main text for details). FWR2 and CDR-H3 positions were numbered using the Chothia numbering scheme, except for CDR positions 95 to 100x which were aligned from the C-terminus to reveal conserved interactions at the C-terminus of CDR-H3. The logo plots at the X and Y-axis of the heatmap were generated from the sequences used in the contact analysis. b Contact map as in a for structures carrying kinked CDR-H3 conformation (n = 215). c Cartoon representation of a typical extended CDR-H3 VHH structure (PDB code 4LDE.A) with key residues in CDR-H3 and FWR shown in stick representation. d Cartoon representation of a typical kinked CDR-H3 VHH structure (PDB code 3K7U.A) with key residues in CDR-H3 and FWR shown as in stick representation. e Cartoon representation of a typical kinked CDR-H3 VHH structure (PDB code 1U0Q.A) carrying a short 3–10 helix in CDR-H3; key residues in CDR-H3 and FWR are shown in stick representation.