PDB files of AlphaDesign designed and AF2 predicted structures for the best sequence redesigned using ADM.
Files matching prediction_.* are AF2-model1 predictions of the best sequences redesigned using ADM.
Files are suffixed with 0.pdb or 1.pdb indicating if they are the prediction for state 0 or state 1 in multi-state design.
In this case, state 0 corresponds to the bound state to RcaT-Sen2, while state 1 corresponds to the binder's monomeric state.
Files matching "*sourcedata_rmsf.dat" contain a comma separated list of root mean square fluctuation (RMSF) values in angstroms, across 20,000 molecular dynamics steps. This data is used for the inset box plots in each structure panel.