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. 2018 Feb 14;8:3042. doi: 10.1038/s41598-018-19991-x

Table 5.

Root Mean Square Deviation (RMSD) comparison for native enzyme, and mutants SS03 and SS17.

Mutant RMSD [Å]
WT 0.99
SS03 0.93
SS17 1.35

The RMSD is calculated, for each enzyme between the crystallographic structure and end-point of 5 ns long MD simulation at 300 K. The RMSD calculation was done considering main chain atoms only.