Table 2

Classification of sidechain angles, χi

Residue

χ1

χ2

χ3

χ4


Ser, Cys, Thr, Val

I

Ile, Leu

I

I

Asp, Asn

I

IV

His, Phe, Tyr, Trp

I

III

Met

I

I

II

Glu, Gln

I

I

IV

Lys

I

I

I

I

Arg

I

I

I

III


The parameters of the torsion angle potential are (, ni) = (0.6 eu, 3) for class I, (, ni) = (0.3 eu, 3) for class II, (, ni) = (0.4 eu, 2) for class III, and (, ni) = (-0.4 eu, 2) for class IV.

Irbäck et al. PMC Biophysics 2009 2:2   doi:10.1186/1757-5036-2-2

Open Data