Over the course of the microsecond simulation, there were 44 transitions of the Val111 χ 1 rotamer amongst the 3 possible states. The transition rate is 0.09±0.05 transitions/1e6 force evaluations or 0.04±0.03 transitions/ns. Interestingly, the transition frequency appears to decline over the course of the simulation with fewer rotameric state transitions occurring at the latter time points as shown in Figure . Also, the residence time in the alternate rotameric state appears very short (100-500 ps).