Table 2. Residue volumes for both amino acids and monosaccharides used by sluv2.py in SCT to calculate the macromolecular volumes used in constrained modelling (Perkins, 1986 ▶).
In the ‘classic’ output option, as well as the output of classic sluv, these residue volumes are labelled PER85. The non-agreement of the naming with the 1986 publication is maintained for historical reasons.
| Residue name | Residue code | Volume (103nm3) |
|---|---|---|
| Alanine | ALA | 97.1 |
| Arginine | ARG | 192.9 |
| Asparagine | ASN | 127.4 |
| Aspartic acid | ASP | 125.3 |
| Cysteine | CYS | 112.4 |
| Glutamine | GLN | 147.3 |
| Glutamic acid | GLU | 148.0 |
| Glycine | GLY | 68.2 |
| Histidine | HIS | 158.3 |
| Isoleucine | ILE | 170.1 |
| Leucine | LEU | 182.8 |
| Lysine | LYS | 184.5 |
| Methionine | MET | 176.0 |
| Phenylalanine | PHE | 203.9 |
| Proline | PRO | 129.0 |
| Serine | SER | 103.3 |
| Threonine | THR | 129.0 |
| Tryptophan | TRP | 228.9 |
| Tyrosine | TYR | 202.3 |
| Valine | VAL | 142.3 |
| Fucose | FUC | 160.8 |
| Galactose | GAL | 166.8 |
| Glucose | GLC | 171.9 |
| Mannose | MAN | 170.8 |
| N-Acetylglucosamine | NAG | 222.0 |
| N-Acetylgalactosamine | NGA | 232.9 |
| Sialic acid | SIA | 326.3 |