Table 2. Equations describing the dependence of the volume on the number of atoms/residues lining individual cavities.
Equationa (and R2) Involving | ||
Cavity Class | Atoms | Residues |
Ter_str | y = 1.9284x 1.2836 (0.90) | y = 1.402x 1.7253 (0.78) |
Inter_H | y = 1.7544x 1.3418 (0.95) | y = 1.1917x 1.8337 (0.89) |
Inter_C | y = 1.8507x 1.3225 (0.93) | y = 1.1907x 1.8456 (0.86) |
In the equation y corresponds to the volume (Å3) and x to the number of atoms (or residues); the R 2 value provides the measure of fit of the power law to the data points. Fitting linear equations provides, for atoms: y = 6.59x–22.0 (0.90), y = 9.94x–54.8 (0.94), and y = 7.31x–26.3 (0.93); for residues: y = 14.74x–49.5 (0.80), y = 27.08x–125.4 (0.90), and y = 17.57x–62.4 (0.86).