Definitions
The designed algorithm calculates the distances between potential h-bond donors or acceptors and returns all the distances that are within the range of user-defined thresholds (By default, the lower limit is set to 2.7Å and the upper limit is set to 3.3Å). The intent is to show strong h-bond interactions between the selected ligand and protein residues. Note other hydrophilic interactions within the range besides h-bond are also included in this category.
The designed algorithm calculates the distances between C-C and returns all the distances that are within the range of user-defined thresholds. By default, the lower limit is set to 1.9Å and the upper limit is set to 3.9Å. The intent is to show strong hydrophobic interactions between the selected ligand and protein residues.
The designed algorithm calculates the distances between all inter-ligand atoms and returns all the distances that are within user-specified range(other category). Note this includes inter-ligand interactions for all ligands present in the structure, not just the selected ligand.
The designed algorithm calculates the distances between the selected ligand atoms and all H2O atoms in the structure and returns all the distances that are less than 5Å and the H2O atoms which give these distances. From these H2O atoms, distances are then calculated between them and proteins atoms, and distances within user-specified range(hydrophilic category) are returned. The intent is to show ligand-H2O interactions and ligand-protein interactions bridged by ordered H2O. Note this includes bridged h-bond and other interactions as well.
The designed algorithm calculates the distances between ligand atoms and protein atoms which are not between potential h-bond donor/acceptors or C-C. It returns all the distances that are within the range of user-defined thresholds. By default, the lower limit is set to 1.9Å and the upper limit is set to 3.9Å. The intent is to show strong interactions of the selected ligand and protein residues that do not fall into hydrophilic or hydrophobic category.