Figure 4

Screenshot showing upper left segment of TOF2H-Processor output. Columns B – E, comprising query peptide info (m/z, fraction, accession/endpoints/sequence), theoretical mass and "upper bound" contain data imported from the refMPL. Column D coloration indicates refMPL sheet of origin. Any adduct hits (not shown) are recorded with blue text coloration of the peptide info cell with adduct info stated. Columns F – G show mass errors. Remaining columns show mass-matching HDX timepoints data. Yellow bars denote primary hits, green masses in deuterium-uptake timepoints show "isotope progeny" of the primary hit masses (progeny were more plentiful in the longer timepoints further to the right, not shown). For isotope progeny searching, the search algorithm can progressively relax mass tolerances with increasing theoretical isotope increments. Brown masses are "false progeny". True progeny listed beneath a false progeny in timepoint samples, are typically isotope progeny (deuteration) of the false progeny. Salmon background denotes the progeny mass that was initially hit from among those on the same row. Inverted coloration (yellow text against black background) indicates a decoy hit. Black borders surround ambiguous hits (either more than one query hitting same theoretical mass (eg. upper box), or a single query hitting more than one theoretical mass (eg. center box). Good forward exchange/relatively low BE is indicated by increased spacing between yellow bars (more numerous progeny, out of view). Inferior results (not shown) would be immediately apparent as fewer progeny (little or no spacing between yellow bars).