# This file is used to specify modifications # # for comments # # Max Number of Modifications per peptide # If this value is large, the search takes long. NumMods=2 # To input a modification, use the following command: # Mass or CompositionStr, Residues, ModType, Position, Name (all the five fields are required). # CompositionStr (C[Num]H[Num]N[Num]O[Num]S[Num]P[Num]Br[Num]Cl[Num]Fe[Num]) # - C (Carbon), H (Hydrogen), N (Nitrogen), O (Oxygen), S (Sulfer), P (Phosphorus), Br (Bromine), Cl (Chlorine), Fe (Iron), and Se (Selenium) are allowed. # - Negative numbers are allowed. # - E.g. C2H2O1 (valid), H2C1O1 (invalid) # Mass can be used instead of CompositionStr. It is important to specify accurate masses (integer masses are insufficient). # - E.g. 15.994915 # Residues: affected amino acids (must be upper letters) # - Must be uppor letters or * # - Use * if this modification is applicable to any residue. # - * should not be "anywhere" modification (e.g. "15.994915, *, opt, any, Oxidation" is not allowed.) # - E.g. NQ, * # ModType: "fix" for fixed modifications, "opt" for variable modifications (case insensitive) # Position: position in the peptide where the modification can be attached. # - One of the following five values should be used: # - any (anywhere), N-term (peptide N-term), C-term (peptide C-term), Prot-N-term (protein N-term), Prot-C-term (protein C-term) # - Case insensitive # - "-" can be omitted # - E.g. any, Any, Prot-n-Term, ProtNTerm => all valid # Name: name of the modification (Unimod PSI-MS name) # - For proper mzIdentML output, this name should be the same as the Unimod PSI-MS name # - E.g. Phospho, Acetyl # - Visit http://www.unimod.org to get PSI-MS names. C2H3N1O1,C,fix,any,Carbamidomethyl # Fixed Carbamidomethyl C #144.102063,*,fix,N-term,iTRAQ4plex # iTRAQ 4 plex #144.102063,K,fix,any,iTRAQ4plex # iTRAQ 4 plex # Variable Modifications (default: none) O1,M,opt,any,Oxidation # Oxidation M #15.994915,M,opt,any,Oxidation # Oxidation M (mass is used instead of CompositionStr) #H-1N-1O1,NQ,opt,any,Deamidated # Negative numbers are allowed. #C2H3NO,*,opt,N-term,Carbamidomethyl # Variable Carbamidomethyl N-term #H-2O-1,E,opt,N-term,Glu->pyro-Glu # Pyro-glu from E #H-3N-1,Q,opt,N-term,Gln->pyro-Glu # Pyro-glu from Q C2H2O,*,opt,Prot-N-term,Acetyl # Acetylation Protein N-term #C2H2O1,K,opt,any,Acetyl # Acetylation K #CH2,K,opt,any,Methyl # Methylation K #HO3P,STY,opt,any,Phospho # Phosphorylation STY