Movie S3.

Fly-around of the 3D probability distribution of the side chain N12 atoms around the α-helical backbone. Histograms were compiled over the simulation trajectory using a grid comprising cubic cells of size 0.1 × 0.1 × 0.1 nm, and the probability density function computed by normalizing by the total count and the cell volume. The value of the probability density in any one cell ranged from 0 to 3.7 nm−3. Four contours in the probability density are plotted at 0.05, 0.1, 0.2, and 0.3 nm−3. Because the positive charge in the cationic side chains resides primarily in the termini, this distribution may be considered a proxy for that of the positive charge. This movie was produced using MATLAB (15).

Helical antimicrobial polypeptides with radial amphiphilicity

Menghua Xiong, Michelle W. Lee, Rachael A. Mansbach, Ziyuan Song, Yan Bao, Richard M. Peek, Catherine Yao, Lin-Feng Chen, Andrew L. Ferguson, Gerard C. L. Wong, and Jianjun Cheng

PNAS. 2015. DOI: 10.1073/pnas.1507893112