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. 2022 Oct 1;13:5771. doi: 10.1038/s41467-022-33545-w

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Fig. 5 — a The representative occupancy of most probable H-bond between different residues was obtained from the last 40 ns of simulations (the associated pairs) of (i) GK-16*; (ii) GK-16-GG/YY*; (iii) GK-16-1G*; (iv) GK-16-2G*; (v) GK-16-3G*; (vi) GK-16-1G2G*; (vii) GK-16-1G3G*; (viii) GK-16-2G3G*; (ix) GK-16-2S3S*; (x) GK-16-2A3A*. The occupancy representing the overall H-bond probability through simulations (see “Methods”). b Representative simulated snapshots of the most probable H-bonds between the corresponding residues (m signifies main chain, and s side chain). (i) H-bonds formed among Dopa side chains; (ii) H-bonds between Gly main chain and Dopa side chain; (iii) H-bonds between Lys main chains; (iv) H-bonds between Ser side chain and Dopa main chain.