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. 2015 Jun 30;11(8):3572–3583. doi: 10.1021/acs.jctc.5b00372

Figure 10.

Figure 10

Distribution of distance and angles for Ala5. The green dotted line presents the distribution sampled from equilibrium MD. The black solid line presents the distribution defined by Ebond = 100 (r – 3.83)2, Eangle = 94.84 (θ – 100.0)2, and Edihedral = 0.1 (χ – 55.0)2. The black dotted line presents the distribution defined by Ebond = 400 (r – 3.83)2, Eangle = 30 (θ – 115.0)2, and Edihedral = 0.1 (χ – 55.0)2. Subplot a presents the angle between the carbon-α of residues 2, 3, and 4. Subplot b presents the distance between carbon-α of residues 2 and 3. Subplot c presents the distance between carbon-α of residues 3 and 4.