Fig 5. The estimated steady state distributions for each state based on Markov state model.

(a) Steady state distribution based on non-bonded configuration simulations; (b) Steady state distribution based on bonded configuration simulations; (c) Steady state distribution differences between non-bonded and bonded configurations. States 2, 3, and 7 are considered as dark states region. States 1, 4, 5, and 8 are considered as light state region. State 6 is considered as hidden region.