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. Author manuscript; available in PMC: 2012 Jun 8.
Published in final edited form as: Structure. 2011 Jun 8;19(6):844–858. doi: 10.1016/j.str.2011.03.019

Figure 5. A complete set of backbone-dependent rotamer probabilities for leucine derived from adaptive kernel density estimates of the new 2010 rotamer library.

Figure 5

Leu demonstrates strong variation in its rotamer preferences both in the backbone-dependent and backbone-independent rotamer libraries. Some of its rotamers are restricted everywhere on the (ϕ, ψ) map, due to strong clashes of the side-chain conformations with its own backbone. The < g+, g− > rotamer has only 10 data points in our dataset while the total number of leucines is 64,329. The rare rotamer fix is used to calculate the Ramachandran probability density for the < g+, g− > rotamer using only the <g+> data.