Computational design of a versatile, zero-radius proximity labeling enzyme

Supplementary data 1. 2D Flow cytometry data for all LplA variants tested. Data are shown for (A) LplA orthologs, (B) ESM point mutants, (C) ProteinMPNN point mutants, (D) ESM combined mutants (E3-21), Directed evolution variant (D2), MPNN active-site redesigns (M1-24) and final combined engineering variants (F1-30). The black line in each plot shows the shape of the template (W37V LplA). Supplementary data 2. SEC-SAXS Elution profiles and Oligomer fits. PDFs for each LplA variant tested, showing elution profile and associated SAXS scattering curves with Oligomer-predicted model fits. Data are plotted in both Log(I) vs q and Kratky plot format to better emphasize relevant differences, as well as the residual (data – model) for each fit. Supplementary data 3. Structures used for SEC-SAXS Oligomer analysis. PDB files for all LplA structural models used for Oligomer analysis of the SAXS data. Supplementary data 4. Code used to analyze SEC-SAXS data.