Table 1.
Features that potentially influence peptide fragmentation.
| ID | Features | Abbreviation |
| 1 | Identity of residue C-terminal to fragmentation site | RB_C |
| 2 | Identity of residue N-terminal to fragmentation site | RB_N |
| 3 | Distance from fragmentation site to peptide N-terminus | DB_N |
| 4 | Distance from fragmentation site to peptide C-terminus | DB_C |
| 5 | Distance from fragmentation site to peptide center | DB_M |
| 6 | Whether fragmentation site is at either end of peptide | B_E |
| 7 | Basicity of residue N-terminal to fragmentation site | BaRB_N |
| 8 | Basicity of residue C-terminal to fragmentation site | BaRB_C |
| 9 | Average basicity of residues N/C terminal to fragmentation site | BaRB_A |
| 10 | Difference in basicity of residues N/C terminal to fragmentation site | BaRB_D |
| 11 | Basicity of fragmented y-ion | BaYI |
| 12 | Basicity of whole peptide | BaP |
| 13 | Helicity of residue N-terminal to fragmentation site | HeRB_N |
| 14 | Helicity of residue C-terminal to fragmentation site | HeRB_C |
| 15 | Average helicity of residues N/C terminal to fragmentation site | HeRB_A |
| 16 | Difference in helicity of residues N/C terminal to fragmentation site | HeRB_D |
| 17 | Hydrophobicity of residue N-terminal to fragmentation site | HyRB_N |
| 18 | Hydrophobicity of residue C-terminal to fragmentation site | HyRB_C |
| 19 | Average Hydrophobicity of residues N/C terminal to fragmentation site | HyRB_A |
| 20 | Difference in Hydrophobicity of residues N/C terminal to fragmentation site | HyRB_D |
| 21 | Hydrophobicity of fragmented y-ion | HyYI |
| 22 | Hydrophobicity of whole peptide | HyP |
| 23 | pI value of residue N-terminal to fragmentation site | PIRB_N |
| 24 | pI value of residue C-terminal to fragmentation site | PIRB_C |
| 25 | Average pI of residues N/C terminal to fragmentation site | PIRB_A |
| 26 | Difference in pI of residues N/C terminal to fragmentation site | PIRB_D |
| 27 | Length of whole peptide | LP |
| 28 | Length of fragmented y-ion | LYI |
| 29 | Ratio of length of fragmented y-ion and peptide | RLIP |
| 30 | Number of basic residues in whole peptide | NBaR_P |
| 31 | Number of basic residues in fragmented y-ion | NBaR_YI |
| 32 | Mass of whole peptide | MP |
| 33 | Mass of fragmented y-ion | MYI |
| 34 | Ratio of mass of fragmentated y-ion and peptide | RMIP |
| 35 | Distance from fragmentation site to basic residues | DBBa |
All features listed above are supposed to exert influences on the gas-phase fragmentation of peptides. They are subject to further examination by the Bayesian neural network model.