Fig. 4

Distribution of complexes based on the number of structural anchors. Representative of each group is presented in the following image: a 0 anchors: Chitinase B with inhibitor (PDB id 1W1P; IC₅₀ = 5 mM); b 1 anchor: Queuine tRNA-ribosyltransferase with inhibitor (PDB id 1N2V; K_i = 83 µM), c 2 anchors: Vitamin D3 receptor with calcipotriol (PDB id 1S19; K_d = 0.31 nM) and d 3 anchors: Uridylate kinase-AMP (PDB id 1UKZ). Weak hydrogen bonds (W_QB < 4 kcal mol⁻¹) marked in green, medium (4 ≤ W_QB < 6 kcal mol⁻¹) in yellow and strong (W_QB ≥ 6 kcal mol⁻¹) in red. e Pie chart presenting distribution of number of anchors across the data set. f Distribution of strength of HBs (W_QB) versus the number of HBs per group of atoms. The box shows the quartiles and the whiskers show the rest of distribution excluding outliers. The swarmplot showing all data points is placed in top of the boxplot