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. 2019 May 17;14(5):e0214639. doi: 10.1371/journal.pone.0214639

Table 1. Secondary structure composition of WT, N15S and P23H before and after H/D exchange as obtained from FTIR spectra (Fig 4).

The root mean squared deviation of both the H2O and D2O datasets from x-ray data estimates 9% total uncertainty.

Secondary Structure Details (in %) STRIDE WT_PBS N15S_PBS P23H_PBS
PDB 1L9H H20 D20 H20 D20 H20 D20
α-Helix 64 63 59 42 48 32 33
β-sheet 3 16 12 25 18 10 30
Random coil 12 12 19 21 15 52 24
β-Turns 22 9 10 12 19 6 13
RMSD from PDB 9 9 17 11 27 22