Geometry Dynamics of α-Helices in Different Class I Major Histocompatibility Complexes

Figure 8

Curvature integral of MHC α-helices. Moving average of the curvature integral of MHC helices G-ALPHA1 (a) and G-ALPHA2 (b) along 250 ns MD simulations of TCR/pMHC systems B4402, B4403, and B4405. Curvature of G-ALPHA2 is higher compared to G-ALPHA1 due to its kink. G-ALPHA1 shows greater fluctuations but is comparable between all three TCR/pMHC complexes. G-ALPHA2 of B4402 shows a decreasing trend, consistently reflected in the area of the ruled surface spanned between both MHC α-helices (see Figure 9).

(a)

(b)