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. 2023 Jul 24;28(14):5603. doi: 10.3390/molecules28145603

Figure 5.

Figure 5

Atomic root mean square fluctuations (RMSFs, Å) calculated along the molecular dynamics (MD) trajectories by superimposing the heavy backbone atoms of NRP1-b1 on the corresponding atoms in the initial crystal structure. The upper panel corresponds to the trajectories recorded on the WT protein, while the lower panel corresponds to the trajectories recorded on the NRP1-b1 hexavariant used to determine the crystal structure. The curves measured on the triplicated trajectories are colored black, green and grey, respectively. They are plotted as solid and dashed lines for NRP1-b1 in complex with the peptide and for the unbound form, respectively. The positions in the sequence of the mutated residues are marked with the letter ‘M’. The NRP1 loops interacting with the peptide are labelled as defined in the text.