Fig. 3
a PREs on 6D8 scFv arising from C-terminally MTSL-labelled 3D7 MSP214–34 (top) or FC27 MSP214–34 (bottom) are severely under-predicted by a Flexible-meccano-derived ensemble of MSP214–34 conformations (grey line), but are adequately modelled after reweighting the ensemble under maximum-entropy constraint (black line). The unweighted ensemble results in a uniform and spherical distribution of probe positions for both 3D7 (b) and FC27 MSP214–34 (d). The distribution arising from the reweighted ensembles (c, e) is less symmetrical, but retains a broad distribution across much of the accessible surface of 6D8, and is very similar between 3D7 (c) and FC27 (e)
