Fig. 6
The fuzzy interactions made by the extended epitope variable regions are only weakly dependent on sequence. a The frequencies of residue contacts between 6D8 scFv and 3D7 MSP214–34 (left) and FC27 MSP214–34 (right) over ~1 µs of molecular dynamics simulation are remarkably similar. b The average density of MSP2 atoms involved in contacts with 6D8 is broadly distributed over the surface surrounding the 6D8 paratope for both 3D7 (left) and FC27 (right). Interacting atom density was calculated using MDAnalysis68 and rendered with PyMOL, contoured at 1.5 × 10−3 atoms per Å3 (yellow) and 20 × 10−3 atoms per Å3 (green). Chemical shift perturbations on 6D8 are shown as in Fig. 2, and the crystallographically resolved epitope (MSP214-22) is shown in purple
