gest a robustness in most of the methods, as they all predict the experimental configuration of S-shaped, diagonal except standard PBE. In the case of the full pore, interaction energies between adjacent amines come into play, complicating the predictions and only 3 out of 12 (25%) of the considered methods predict the experimental configuration. The situation is reversed for spermine: the single amine binding energies tend to predict a column-bound motif, while the full pore prediction is unanimously the diagonal conformation.