diff --git a/scripts/plotting/plotting_thesis/dm_om_plots.R b/scripts/plotting/plotting_thesis/dm_om_plots.R new file mode 100644 index 0000000..937aadf --- /dev/null +++ b/scripts/plotting/plotting_thesis/dm_om_plots.R @@ -0,0 +1,222 @@ +geneL_normal = c("pnca") +geneL_na = c("gid", "rpob") +geneL_ppi2 = c("alr", "embb", "katg", "rpob") + + +if (tolower(gene)%in%geneL_na){ + lf_mcsm_na + } + +if (tolower(gene)%in%geneL_ppi2){ + lf_mcsm_ppi2 +} + +colnames(lf_duet) +table(lf_duet$param_type) + +static_colsP = c("Lig Dist(Å)","ASA", "RSA","RD","KD","Log10(MAF)") + +stability_suffix <- paste0(delta_symbol, delta_symbol, "G") + +lf_commonP = lf_duet[!lf_duet$param_type%in%c("DUET ΔΔG"),] +lf_commonP$param_type = levels(droplevels(lf_commonP$param_type)) +table(lf_commonP$param_type); colnames(lf_commonP) +lf_commonP$outcome = lf_commonP$duet_outcome +lf_commonP$duet_outcome = NULL + + +lf_duet$outcome = lf_duet$duet_outcome +lf_duet$duet_outcome = NULL +lf_duetP = lf_duet[!lf_duet$param_type%in%c(static_colsP, "outcome"),] +lf_duetP$param_type = levels(droplevels(lf_duetP$param_type)) +table(lf_duetP$param_type); colnames(lf_duetP) +colnames(lf_duetP) + +lf_foldx$outcome = lf_foldx$foldx_outcome +lf_foldx$foldx_outcome = NULL +lf_foldxP = lf_foldx[!lf_foldx$param_type%in%c(static_colsP,"outcome"),] +lf_foldxP$param_type = levels(droplevels(lf_foldxP$param_type)) +table(lf_foldxP$param_type) +colnames(lf_foldxP) + + +lf_deepddg$outcome = lf_deepddg$deepddg_outcome +lf_deepddg$deepddg_outcome = NULL +lf_deepddgP = lf_deepddg[!lf_deepddg$param_type%in%c(static_colsP, "outcome"),] +lf_deepddgP$param_type = levels(droplevels(lf_deepddgP$param_type)) +table(lf_deepddgP$param_type) +colnames(lf_deepddgP) + + +lf_dynamut2$outcome = lf_dynamut2$ddg_dynamut2_outcome +lf_dynamut2$ddg_dynamut2_outcome = NULL +lf_dynamut2P = lf_dynamut2[!lf_dynamut2$param_type%in%c(static_colsP, "outcome"),] +lf_dynamut2P$param_type = levels(droplevels(lf_dynamut2P$param_type)) +table(lf_dynamut2P$param_type) +colnames(lf_dynamut2P) + + +lf_consurf$outcome = lf_consurf$consurf_outcome +lf_consurf$consurf_outcome = NULL +lf_consurfP = lf_consurf[!lf_consurf$param_type%in%c(static_colsP),] +lf_consurfP$param_type = levels(droplevels(lf_consurfP$param_type)) +table(lf_consurfP$param_type) +colnames(lf_consurfP) + + +lf_snap2$outcome = lf_snap2$snap2_outcome +lf_snap2$snap2_outcome = NULL +lf_snap2P = lf_snap2[!lf_snap2$param_type%in%c(static_colsP),] +lf_snap2P$param_type = levels(droplevels(lf_snap2P$param_type)) +table(lf_snap2P$param_type) +colnames(lf_snap2P) + + +lf_provean$outcome = lf_provean$provean_outcome +lf_provean$provean_outcome = NULL +lf_proveanP = lf_provean[!lf_provean$param_type%in%c(static_colsP),] +lf_proveanP$param_type = levels(droplevels(lf_proveanP$param_type)) +table(lf_proveanP$param_type) +colnames(lf_proveanP) + +bar = rbind(colnames(lf_duetP) + , colnames(lf_foldxP) + , colnames(lf_deepddgP) + , colnames(lf_dynamut2P) + , colnames(lf_consurfP) + , colnames(lf_snap2P) + , colnames(lf_proveanP) +) +bar + +lf_df_stabP = rbind((lf_duetP) + , (lf_foldxP) + , (lf_deepddgP) + , (lf_dynamut2P)) + +lf_df_consP = rbind((lf_consurfP) + , (lf_snap2P) + , (lf_proveanP)) + +table(lf_df_stabP$param_type) +# VERY USEFUL for seeing numbers for param types +table(lf_df_stabP$param_type,lf_df_stabP$outcome) +table(lf_df_consP$param_type,lf_df_consP$outcome) + +#============== +# Plot:BP +#============== +stability_suffix <- paste0(delta_symbol, delta_symbol, "G") + +# lf_bp(lf_df_stabP, p_title = paste0("Stability",stability_suffix) +# , violin_quantiles = c(0.5)) +# lf_bp(lf_df_consP, p_title = "Evolutionary Conservation" +# , violin_quantiles = c(0.5)) + +lf_bp2(lf_df_stabP, p_title = paste0("Stability",stability_suffix) + , violin_quantiles = c(0.5), monochrome = F) + +lf_bp2(lf_df_consP, p_title = "Evolutionary Conservation" + , violin_quantiles = c(0.5), monochrome = F) + +#HMMM: Bollocks! +lf_bp2(lf_commonP, p_title = paste0("Residue level properties") + , violin_quantiles = c(0.5) + , monochrome = T) # doesn't plot stat bars + +lf_bp(lf_commonP, p_title = paste0("Residue level properties") + , violin_quantiles = c(0.5)) #plots stat bars but incorrect result + +lf_unpaired_stats(lf_duet) +wilcox.test(wf_duet$`Lig Dist(Å)`[wf_duet$mutation_info_labels=="R"] + , wf_duet$`Lig Dist(Å)`[wf_duet$mutation_info_labels=="S"]) + +wilcox.test(wf_duet$ASA[wf_duet$mutation_info_labels=="R"] + , wf_duet$ASA[wf_duet$mutation_info_labels=="S"]) + + +# 1: variable +# 9: conserved + +# CHECK THESE +foo = merged_df3[c("dst_mode", "mutation_info_labels", "consurf_colour_rev" + , "consurf_scaled" + , "consurf_score" + , "consurf_outcome" + , "snap2_score" + , "snap2_scaled" + , "snap2_outcome" + , "provean_score" + , "provean_scaled" + , "provean_outcome")] + +################ +# Affinity +################ +# ligand +lf_mcsm_lig$outcome = lf_mcsm_lig$ligand_outcome +lf_mcsm_lig$ligand_outcome = NULL +colnames(lf_mcsm_lig) +table(lf_mcsm_lig$param_type) + + +lf_mcsm_lig$outcome = lf_mcsm_lig$ligand_outcome +lf_mcsm_ligP = lf_mcsm_lig[!lf_mcsm_lig$param_type%in%c(static_colsP, "outcome"),] +#lf_mcsm_ligP$param_type = levels(droplevels(lf_mcsm_ligP)) +table(lf_mcsm_ligP$param_type) +lf_mcsm_ligP$ligand_outcome = NULL +colnames(lf_mcsm_ligP) + +if (tolower(gene)%in%geneL_na){ + lf_mcsm_na$outcome = lf_mcsm_na$mcsm_na_outcome + #lf_mcsm_na$mcsm_na_outcome = NULL + lf_mcsm_naP = lf_mcsm_na[!lf_mcsm_na$param_type%in%c(static_colsP, "outcome"),] + #lf_mcsm_naP$param_type = levels(droplevels(lf_mcsm_naP)) + table(lf_mcsm_naP$param_type) + lf_mcsm_naP$mcsm_na_outcome = NULL + colnames(lf_mcsm_naP) +} + +if (tolower(gene)%in%geneL_ppi2){ + + lf_mcsm_ppi2$outcome = lf_mcsm_ppi2$mcsm_ppi2_outcome + colnames(lf_mcsm_ppi2) + #lf_mcsm_ppi2$mcsm_ppi2_outcome = NULL + lf_mcsm_ppi2P = lf_mcsm_ppi2[!lf_mcsm_ppi2$param_type%in%c(static_colsP, "outcome"),] + #lf_mcsm_ppi2P$param_type = levels(droplevels(lf_mcsm_ppi2P)) + table(lf_mcsm_ppi2P$param_type) + lf_mcsm_ppi2P$mcsm_ppi2_outcome = NULL + colnames(lf_mcsm_ppi2P) + +} + + +bar = rbind(colnames(lf_mcsm_ligP) + #, colnames(lf_mcsm_naP) + , colnames(lf_mcsm_ppi2P)) +bar + +lf_df_affP = rbind((lf_mcsm_ligP) + , (lf_mcsm_ppi2P)) + +lf_bp(lf_df_affP, p_title = paste0("Affinity changes") + , violin_quantiles = c(0.5)) + #, monochrome = T) # doesn't plot stat bars + +wilcox.test(wf_mcsm_lig$ASA[wf_mcsm_lig$mutation_info_labels=="R"] + , wf_mcsm_lig$ASA[wf_mcsm_lig$mutation_info_labels=="S"]) + +wilcox.test(wf_mcsm_ppi2$ASA[wf_mcsm_ppi2$mutation_info_labels=="R"] + , wf_mcsm_ppi2$ASA[wf_mcsm_ppi2$mutation_info_labels=="S"]) + +#=============================== +p1 = lf_bp2(lf_df_stabP, p_title = paste0("Stability",stability_suffix) + , violin_quantiles = c(0.5), monochrome = F) + +p2 = lf_bp2(lf_df_consP, p_title = "Evolutionary Conservation" + , violin_quantiles = c(0.5), monochrome = F) + +p3 = lf_bp2(lf_df_affP, p_title = paste0("Affinity changes") + , violin_quantiles = c(0.5), monochrome = F) + +cowplot::plot_grid(p1,cowplot::plot_grid(p2, p3), nrow=2)