Figure 8. Backbone-dependent treatment of non-rotameric side-chain χ: 2002 Rotamer Library, 2010 density model and 2010 discrete model.

Backbone-dependent modeling of non-rotameric χ₃ of χ₁,χ₂ rotamer = <g⁺,t> of Gln using Bayesian formalism of the 2002 rotamer library (top), 2010 query-adaptive KR of densities (middle) and 2010 binned “rotameric” model (bottom). These three models are provided at 3 different selected (ϕ, ψ) locations: (−60°, −10°), (−150°, 180°), and (−80°, 180°), indicated on the Ramachandran < g⁺, t > density insets in the bottom row. The top and bottom models are binned or “rotameric” while the middle model is continuous density. The “rotameric modeling” of the non-rotameric χ₃ includes: r₃ probabilities (heights of the bars), P(r₃ | ϕ, ψ, r₁₂ = < g₊, t >) summing up to 1; χ₃ means (positions of the bars), μ(χ₃ | ϕ, ψ, r₁₂₃); and χ₃ standard deviations (lengths of the horizontal bars at the tip of the bars), σ(χ₃ | ϕ, ψ, r₁₂₃).