Figure 6. Summary of the major changes seen in the molecular dynamics runs.

Position 163 on β3 is shown as red spheres. A/Superimposition of the two forms of αIIbβ3: αIIb associated with WT β3 is in silver glass ribbon while blue ribbon highlights αIIb in complex with the β3P163S mutant; orange ribbon denotes β3. Note that the mutation induces only a slight displacement of the small α-helix close to position 163 (yellow arrow below) and a larger change for the small α-helix beginning at position 259 but outside of the interface (yellow*). B/Superimposition of the two forms of αvβ3: αv associated with WT β3 is in silver glass ribbon while blue ribbon shows αIIb associated with the β3P163S mutant; orange ribbon denotes β3. Note the unfolding of the small α-helix close to position 163 (yellow arrow below), the large displacement towards the interface of the α-helix beginning at position 259 on β3 (yellow*) and the new fold appearing in the P163S mutant (yellow arrow) that is projected towards the interface resulting in a clockwise rotation of the αv sub-unit (yellow curved arrows). Windows correspond to a zoom of the regions marked by the asterisk.