The spatial features are based on the KiSSim subpockets as described in the Encoding: From structure to fingerprint section. These subpockets are calculated for each structure individually, however, show robustness over the structural kinome. The subpocket centers occupy the same space across the aligned KLIFS structures, while the front pocket and DFG region center show higher variability than the hinge region and pocket center (Fig- ), as to be expected. Therefore, the subpocket definition procedure seems to be robust enough to span comparable subpocket centers while fine-grained enough to encode structural differences.