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