Surface Diver uses the hydrophobicity scale introduced by Rose et al.:
residue | hydrophobicity |
ALA | 0.74 |
GLY | 0.72 |
VAL | 0.86 |
LEU | 0.85 |
ILE | 0.88 |
PRO | 0.64 |
PHE | 0.88 |
TYR | 0.76 |
TRP | 0.85 |
SER | 0.66 |
THR | 0.70 |
ASN | 0.63 |
GLN | 0.62 |
CYS | 0.91 |
MET | 0.85 |
ASP | 0.62 |
GLU | 0.62 |
HIS | 0.78 |
LYS | 0.52 |
ARG | 0.64 |
To map hydrophobicity onto the surface of a molecule, using the above table, each atom of a certain residue is assigned a similar hydrophobicity index, which is equal to the hydrophobicity of the residue that contains this atom.
Hydrophobicity at a particular point of the surface of the molecule is computed as:
where HBa,aa is the hydrophobicity index of a given atom (residue) and ga is a Gaussian function centered on atom a