Table 1.
Cluster | PMF difference (kcal/mol) | Gly/Pro preference | % | Remarks |
Um | 0.95 | Gly 6 | 0.19 | C-capping helix |
Un | 0.46 | Gly 6 | 0.13 | C-capping helix |
Uo | 0.23 | Gly 5, 6; Pro 6 | 0.05 | helix + loop + helix |
Up | 0.41 | Pro 3, 5 | 0.11 | N-capping helix |
Uq | 0.39 | Pro 5 | 0.04 | strand + 310-helix |
Column 1 is the name of the cluster described in the text. Column 2 is PMF difference, which indicates the difference in PMF value between the center (v1,v2,v3) of each cluster and that at the opposite position (v1, −v2,v3) on v2. Column 3 is the position where Gly or Pro has a preference of 1.0 or more. Column 4 is Pall for each cluster. Structures picked from the asymmetrical clusters in U10 are shown in Figure 1A ▶.