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. 2008 Feb 1;94(3):747–759. doi: 10.1529/biophysj.107.116236

Table 3.

Percentage of dominant conformations of bee venom melittin (see Fig. 5) sampled in different dielectric environments at 300 K during the last 45 ns of the respective replica exchange simulations

Conformation ɛ = 80 ɛ = 40 ɛ = 20 ɛ = 5
1 0.0 (0.0) 33.5 (6.8) 36.7 (5.7) 97.4 (2.1)
2 1.8 (1.8) 10.3 (6.8) 0.0 (0.0) 2.6 (2.1)
3 80.9 (4.3) 42.5 (13.9) 30.6 (1.9) 0.0 (0.0)
4 10.8 (1.7) 13.2 (1.1) 24.5 (7.4) 0.0 (0.0)
5 3.2 (2.1) 0.0 (0.0) 8.0 (0.2) 0.0 (0.0)

Errors of the averages given in parentheses are estimated according to σ/N from ±SD σ of N = 3 block averages (see Supplementary Table S2).