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. 2021 Jun 18;1(7):1076–1085. doi: 10.1021/jacsau.1c00155

Figure 1.

Figure 1

Average number of HBs/molecule formed by bound and unbound water populations in the inner hydration layer dissected in terms of water-driven (red) and MMP-driven (blue) HB network components for MMP14-WT (A), MMP14-SIA (B), and MMP9-WT (C). The water-driven HBs account for HBs formed between water molecules within the inner hydration layer. The MMP-driven HBs are given by the sum of the water–MMP HBs and water–water HBs between water molecules of the inner and outer hydration layers. (D) Comparison between the average number of bound water molecules in the inner hydration layer of the two MMP14 mutants.