Theoretical models of herpes simplex virus (HSV)-1 protein pUL16 in complex with the C-terminal domain of HSV-1 pUL21. Models were generated using AlphaFold2-Multimer version 2.2.2. The template sequences were HSV-1 pUL16 (UniProt ID P10200) and HSV-1 pUL21C (residues 275–535, UniProt ID F8RG07). The top 25 models produced by AlphaFold2 (ranked_0.pdb to ranked_24.pdb) are available (pUL16_pUL21C_models.zip), with associated AlphaFold2 output files (pUL16_pUL21C_raw_output.zip and result_model_1_pkl.zip to result_model_5_pkl.zip), as are quality statistic plots and raw output (pre-residue pLDDT, plus PAE matrices; pUL16_pUL21C_plots.zip) and input sequences (HSV_UL16_UL21C-multimer-v2.2.2.fasta). The top model, with protons removed and residues of pUL21 (chain B) renumbered to match the canonical UniProt numbering is also available (pUL16_pUL21C_ranked_0_noH_renumbered.pdb). For more information, see the README.txt file.