Table 1. Hydrogen bond changes in the different models.
αIIbβ3 WT | αvβ3 WT | αIIbβ3 P163S | αvβ3 P163S | |
Average number | ||||
H-bonds (inter) | 5.28 | 4.05 | 5.86 | 5.73 |
H-bonds (intra) | 150.5 | 155.6 | 144.6 | 152.9 |
Global | 155.78 | 159.65 | 150.46 | 158.63 |
% change vs WT αIIbβ3 | ||||
H-bonds inter | −23.3% | 11.0% | ||
H-bonds intra | 3.4% | −3.9% | ||
Global | 2.5% | −3.4% | ||
% change vs WT αvβ3 | ||||
H-bonds inter | 41.5% | |||
H-bonds intra | −1.7% | |||
Global | −0.6% |
Average number of (inter-, intra- or global) H-bonds found during the last 6 ns of the molecular dynamics simulations.