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. 2017 May 5;13(6):2458–2480. doi: 10.1021/acs.jctc.7b00226

Table 4. Propeller Loop Clusters Observed in the RECT Simulations of the Middle Propeller Loop (the Biased One) of the Parallel Stranded GQ.

simulation name loop no. no. of clusters obsda cluster population (%)
1KF1 A Loop 2 7 1 75.32
16 7.16
10 5.16
19 4.92
20 3.20
3 1.52
17 1.24
1KF1 B Loop 2 9 1 50.52
18 19.48
12 9.04
19 6.20
16 3.76
17 3.60
8 3.04
6 1.72
22 1.36
1KF1 C Loop 2 10 6 35.12
1 29.28
18 9.28
23 6.24
8 4.08
9 2.40
14 2.08
20 1.64
5 1.60
17 1.40
1KF1 D Loop 2 10 18 42.28
1 21.96
6 10.00
2 5.20
15 4.64
11 4.20
23 3.12
17 1.40
unassignedb 1.32
4 1.24
9 1.00
a

Clusters of population <1% are omitted.

b

Does not belong to any cluster observed in standard MD simulations.