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. 2019 Oct 11;151(14):144112. doi: 10.1063/1.5110896

TABLE II.

Top 10 important microstate state conformational changes for transition between microstates 3 and 8, as well as between metastable states 1 and 2. a

Transition from Transition from
Top 10 conformational metastable state 1 metastable state 2
changes decreased Transition from Transition from (dark state) to (light state) to
effective reaction rate microstate 3 to microstate 8 to metastable state 2 metastable state 1
for certain transition microstate 8 microstate 3 (light state) (dark state)
1 1:17 b (23.042%) c 1:17 (23.042%) 1:17 (22.226%) 1:17 (26.302%)
2 3:17 (17.747%) 3:17 (17.747%) 7:21 (19.179%) 2:17 (18.477%)
3 7:21 (17.656%) 7:21 (17.656%) 3:17 (17.013%) 7:21 (18.201%)
4 8:20 (16.792%) 8:20 (16.792%) 2:17 (15.437%) 8:20 (17.305%)
5 2:17 (16.054%) 2:17 (16.054%) 8:20 (12.665%) 3:17 (13.752%)
6 4:17 (9.309%) 4:17 (9.309%) 4:17 (8.912%) 4:17 (9.619%)
7 17:33 (8.740%) 17:33 (8.740%) 17:33 (7.757%) 17:33 (9.035%)
8 3:4 (5.440%) 3:4 (5.440%) 3:4 (5.138%) 8:33 (5.289%)
9 8:33 (5.108%) 8:33 (5.108%) 6:7 (4.319%) 17:21 (4.186%)
10 17:21 (4.044%) 17:21 (4.044%) 17:21 (4.178%) 17:20 (3.966%)
a

Numbers in bold indicate the edges with importance higher than 10%.

b

The edge representing microstate transition between microstates A and B (A:B).

c

The importance of a target edge as the decrease in effective reaction rate constant in the DKTN model after removing that edge comparing with the original DKTN model.