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. 2023 Jan 19;14(8):2054–2069. doi: 10.1039/d2sc06576b

The average contributions of all protein–ligand atom pairs (the second column), metal–ligand atoms (the third column) and potential hydrogen bond atom pairs (the fourth column).

Distance bin All protein–ligand atom pairs Metal–ligand atom pairs Potential hydrogen bond atom pairs
1–2 Å 0.000744086 0.000782901 0.000965695
2–3 Å 0.000673414 0.000726316 0.001076624
3–4 Å 0.000620728 0.000709823 0.001069695
4–5 Å 0.000613829 0.000687995 0.000931523
5–6 Å 0.000611377 0.000657787 0.000936977
6–7 Å 0.000610085 0.000628505 0.000871954
7–8 Å 0.000613386 0.000620942 0.000897092