diff --git a/scripts/plotting/extreme_muts.R b/scripts/plotting/extreme_muts.R index b29b34c..2791369 100644 --- a/scripts/plotting/extreme_muts.R +++ b/scripts/plotting/extreme_muts.R @@ -106,3 +106,14 @@ close_d_lig = df_d_lig[order(df_d_lig$ligand_distance, df_d_lig$ligand_affinity_ # Closest Stabilising for ligand affinity close_s_lig = df_s_lig[order(df_s_lig$ligand_distance, df_s_lig$ligand_affinity_change),] +#=============== +# foldx +#================ +df_d_foldx = df[df$foldx_outcome == "Destabilising",] +hd_foldx = df_d_foldx[df_d_foldx$ddg == max(df_d_foldx$ddg), ] +hd_foldx + +# Most Stabilising for protein stability (DUET) +df_s_foldx = df[df$foldx_outcome == "Stabilising",] +hs_foldx = df_s_foldx[df_s_foldx$ddg == min(df_s_foldx$ddg), ] +hs_foldx