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. 2016 Jan 27;113(6):E715–E724. doi: 10.1073/pnas.1515730113

Table S1.

Fitting parameters for unfolding rates of SH3 domain as a function of force for WT and V61A mutant from simulations and experiment

Name kL0 kH0 xL xH k0 x P2/P1
Simulation WT 1.47 3.88103 0.40 1.16 0.76 0.58 103
Simulation V61A 2.45 4.20101 0.02 0.67 1.29 0.52 105
Experiment WT 2.15102 6.31106 0.07 1.42 9.59104 0.82 1017
Experiment V61A 3.83102 8.46104 0.0 1.15 3.50103 0.94 105
Units Seconds−1 Seconds−1 Nanometers Nanometers Seconds−1 Nanometers 1

Two types of fits were made: exponential fits ku=k0exp(fx/kBT) and double-exponential fits ku=kL0exp(fxL/kBT)+kH0exp(fxH/kBT). P2/P1 shows the relative likelihood of the double-exponential model with respect to the single-exponential model, as assessed by Akaike information criterion.