Fig. 5. PDB screening.

a Overlay of the PDB structures used for screening. Blue, light blue and violet cartoons show the cluster representative of the open (172L), ajar (1JQU), and closed (148L) conformation of T4L. b Reduced χ²_r for each distance set compared to the expected distances from the selected cluster representative. c The experimental distances R_{DA,experimental} of the C₁ and C₂ dataset are plotted against the model distances R_DA,Model from the best PDB structure representative and fitted linearly (red lines). The black lines show a 1:1-relationship. Error bars shown are determined from the support plane analysis (95% confidence interval) shown in Fig. 4 and described in the text.