Skip to main content
. Author manuscript; available in PMC: 2020 Oct 1.
Published in final edited form as: Proteins. 2019 Jun 14;87(10):826–836. doi: 10.1002/prot.25746

Figure 4. Percent NOE violations along the simulations with the bovine sequence.

Figure 4

The number of violations were computed using the last 40 ns of the in total 50-ns long simulations at 300 K. Values were averaged over three runs and the standard error of the mean was calculated and shown as error bars. NOE violations of PDB ID 2JOR were computed across all NMR conformers. Violations between either the β-hairpin or the pseudohairpin and the rest of the protein are reported as “inter”. Violations occurring within the β-hairpin or pseudohairpin regions are reported as “intra”.