| pH | No | pH for the Henderson-Hasselbalch model, ignored by 'net' (default 7.0, the pH the paper's ⟨R⟩ is defined at). Only applies when chargeModel is henderson-hasselbalch. | |
| _files | No | The project: record references shaped like _subject. Their records become library documents a tool names in sequences/parts/document; a trace or alignment is found by file name. | |
| pKaSet | No | named pKa set for the Henderson-Hasselbalch model (default IPC_protein, which is idpr's). Values: EMBOSS (EMBOSS (Rice 2000)), DTASelect (DTASelect (Tabb 2002)), Solomons (Solomons (Solomons 1992)), Sillero (Sillero (Sillero 1989)), Rodwell (Rodwell (Rodwell 1982)), Lehninger (Lehninger (Nelson 2017)), Toseland (Toseland (Toseland 2006)), Thurlkill (Thurlkill (Thurlkill 2006)), Nozaki (Nozaki (Nozaki 1971)), Dawson (Dawson (Dawson 1989)), Bjellqvist (Bjellqvist (Bjellqvist 1994)), ProMoST (ProMoST (Halligan 2004)), IPC_protein (IPC_protein (Kozlowski 2016)), IPC_peptide (IPC_peptide (Kozlowski 2016)), Vollhardt (Vollhardt (Vollhardt 2014)). | IPC_protein |
| window | No | sliding window in residues, odd so a window has a centre residue to report at (default 51, the size the FoldIndex paper uses). Short windows expose single loops; long ones report whole domains. | |
| protein | Yes | the protein sequence (unambiguous one-letter codes); wire it from translate_sequence. | |
| _subject | No | The record to act on: exactly one of sequence, accession (+source), sample (an id from list_samples) or file ({name, text} or {name, base64}); record_index picks one record of several. | |
| chargeModel | No | 'net' counts whole charges K+R−D−E, which is what the paper does; 'henderson-hasselbalch' uses fractional charges at `pH`. They answer different questions and only the first is settled by the paper. | net |
| countHistidine | No | count histidine as positive in the 'net' model. False by default: the paper says charged residues at pH 7.0, and His (pKa ~6) is ~9% protonated there, so Uversky's set is K,R vs D,E — exposed because some FoldIndex descendants do count it. | |