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. Author manuscript; available in PMC: 2022 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2021 Apr 28;17(5):2948–2963. doi: 10.1021/acs.jctc.0c00933

Table 1:

CV values for metastable states.

State RMSDfull/Å RMSDhx/Å d/Å RMSD3–10/Å Rg/Å
Folded 1.1 0.30 11.1 0.30 7.0
Unfolded 5.8 2.1 20.2 2.8 9.2
U1 2.4 0.34 13.1 1.2 7.3
U2 5.2 0.34 19.3 2.8 8.8
L1 2.2 1.2 9.5 0.30 7.2
L2 2.6 1.9 14.5 0.30 7.3