The triplicate 10 μs MD profile finds a defined G 2/3 well 2.5 kcal mol -1 above G 1 . The G 4 well stability is also increased relative to the umbrella sampling surface, becoming equienergetic with G 2/3 . The energetic barriers are also significantly lowered, with a value of 7.2 kcal mol -1 for the direct G 1  G 4 transition, compared to 2.5 and 5.