Distance analysis

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Structural analysis was performed on the dataset to investigate whether particular functional groups were more or less likely to be found close to the S atom of the target CYS residue.

The Distance class of the Snitro project is responsible for computing and evaluating the distances between atoms, as presented in a PDB structural file.

Threshold distance measures

The DistanceCalculator class in the SNitro project calculates the distance between each atom in the PDB file, and identifies residues whose atoms are closer than a particular threshold in Angstroms.

No significant differences between the types classes or polarity of the amino acids surrounding the CYS residues were found.

Minimum Distance Analysis

In addition to identifying and locating the closest functional groups to the S atom of the target CYS residue, the MinimumDistance class investigates the properties of the neareest residues in space to the CYS residue.

Again, no significant differences between the two classes were found.

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