Supported molecular properties

Instability

Compute the protein instability as presented in Guruprasad et al. (Protein Engineering, Design and Selection; 1990).

Aromaticity

Compute the protein aromaticity as presented in Lobry et al. (Nucleic Acid Research; 1994).

Isoelectric point

Computes the isoelectric point of every residue and aggregates.

Hydrophobicity

"Computes the hydrophobicity of a protein, relative freq. of A,C,F,I,L,M & V.

Aliphaticity

Compute the aliphatic index of globular proteins as presented in Ikai (The Journal of Biochemistry; 1980).

Charge

Compute the charge of a protein, based on a boolean for the amide (whether the sequences are C-terminally amidated) and a pH value; as presented in Bjellqvist, (Electrophoresis; 1993).

Charge Density

Computes the charge density of a protein, based on a boolean for the amide (whether the sequences are C-terminally amidated) and a pH value; as presented in Bjellqvist, (Electrophoresis; 1993).

Boman index

Compute the protein aromaticity as presented in Boman (Journal of internal medicine; 2003).

Protein weight

Compute the molecular weight of a protein with RDKit.

Length

Retrieves the number of residues of a protein.

Moreover, GT4SD also includes properties on other entities such as molecules and crystals. The GT4SD web app for molecules can be found here