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. 2024 Apr 12;128(16):3856–3869. doi: 10.1021/acs.jpcb.4c00623

Table 1. Reaction Rates and Implied Equilibrium Constants for the Folding Reaction (Eq 2)a.

peptide proline conc. kunfold [1/μs] kfold [1/μs] K
Ala5 5 M 30.0 ± 7.8 1.77 ± 0.01 0.0590 ± 0.0157
Ala8   3.82 ± 1.78 0.639 ± 0.132 0.168 ± 0.113
Ala15   0.623 ± 0.352 2.40 ± 1.11 3.86 ± 3.96
AAQAA3   0.910 ± 0.530 0.836 ± 0.476 0.92 ± 1.06
KR1   0.497 ± 0.200 0.141 ± 0.025 0.284 ± 0.164
Ala5 2 M 330 ± 4 11.3 ± 1.2 0.0343 ± 0.0041
Ala8   9.76 ± 3.27 1.08 ± 0.34 0.111 ± 0.072
Ala15   0.702 ± 0.063 0.637 ± 0.240 0.908 ± 0.423
AAQAA3   3.65 ± 0.09 1.19 ± 0.01 0.326 ± 0.011
KR1   4.00 ± 1.04 0.513 ± 0.033 0.128 ± 0.042
Ala5 0 M 443 ± 8 13.1 ± 1.0 0.0297 ± 0.0028
Ala8   74.5 ± 10.2 5.00 ± 0.39 0.0671 ± 0.0144
Ala15   11.7 ± 5.1 4.15 ± 2.31 0.356 ± 0.352
AAQAA3   6.85 ± 0.31 1.89 ± 0.12 0.276 ± 0.030
KR1   22.6 ± 4.9 1.31 ± 0.14 0.0581 ± 0.0188
Ala21   1.16 ± 0.18 1.66 ± 0.27 1.43 ± 0.45
a

The errors of kfold and kunfold come from maximum differences between “e” and “h” trajectories under each conditions. The error of K has been obtained as the maximum error via a complete differential rule. Three significant digits and/or same accuracy for errors associated to each value.