Fig. 6: Exploration of frustration-free blueprints.
From: Role of backbone strain in de novo design of complex α/β protein structures
a Alternative backbone blueprints for the Rossmann2×3-fold, together with the averaged structures over the backbone ensembles generated from the blueprints. b Alternative backbone blueprints for the Rossmann3×3-fold. c β-sheet formation probability and packability between the N- and C- terminal helices for each blueprint. d β-sheet bend angle for each Rossmann2×3-fold blueprint (box plots: horizontal lines indicate median and upper and lower quartiles (Q3/4 and Q1/4), respectively; vertical lines extend to Q3/4 + 1.5 x (Q3/4 − Q1/4) and Q1/4 − 1.5 x (Q3/4 − Q1/4). n = 6174, 6136, 6768, and 8056 independently generated backbone structures for R2×3_BP1, R2×3_BP2, R2×3_BP3, and R2×3_BP4.
