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. 2012 Sep 25;21(12):1824–1836. doi: 10.1002/pro.2163

Table I.

Probability Density Expressions Extracted from the Torsion Angle Database

Residue type Probability density functiona Statistical approximationb
Gly, Ala Inline graphic None
Thr, Val, Ser, Cys Inline graphic None
cis-Pro, trans-Pro Inline graphic Inline graphicdetermines other ring torsion angles
Asp, Asn, Ile, Leu, His, Trp, Tyr, Phe Inline graphic Inline graphic
Met, Glu, Gln Inline graphic Inline graphic
Lys, Arg Inline graphic Inline graphic
prePro Inline graphic None
Inline graphic None
Inline graphic Inline graphic
Inline graphic Inline graphic
Inline graphic Inline graphic
a

For simplicity, probability density functions omit conditionals whenever possible. For example, for residue types Gly and Ala, p(ϕ, ψ) implies p(ϕ, ψ|Gly) and p(ϕ, ψ|Ala), respectively. In the case of prePro, the explicit use of a conditional is informative. For example, the probability density function of pre-proline arginines is represented by p(ϕ, ψ, χ1|prePro) p2, χ3, χ4), where p(ϕ, ψ, χ1|prePro) corresponds to all non-glycine, non-proline pre-proline residues (with at least one side chain torsion angle), and p2, χ3, χ4) to all arginines, regardless whether they precede a proline (see text for another example).

b

The statistical approximations used to arrive at the different probability density expressions are indicated, where the orthogonality sign (⊥) means “independent of”.