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Figure 6
DipSpace-based analysis of the trypsin family. (a, b) Cartoon representation of the porcine trypsin model (PDB entry 2a31) viewed from two perspectives. The catalytic residues as well as Phe41 and Ile27 are shown in stick representation and are coloured by DipScore. Values in parentheses indicate the corresponding DipScore percentiles. (c) Ramachandran plot for the corresponding catalytic residues as well as Phe41 and Ile27 in all 350 trypsin models considered. The allowed (grey) and favoured (dark grey) boundaries according to Lovell et al. (2003BB37) are marked. (d, e, f) Box plots for the (d) DipScore, (e) τ angle and (f) ω angle for the four main catalytic residues as well as Phe41 and (Val)Ile27. (d) The favoured, allowed and generously allowed DipScore thresholds are marked by straight, dotted and dashed red lines, respectively. (e, f) The expected average and the 1σ intervals according to MacArthur & Thornton (1996BB38) and Engh & Huber (2006BB15) are marked by straight and dashed red lines, respectively.

IUCrJ
Volume 4| Part 5| September 2017| Pages 657-670
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517008466