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

Figure 10

Curvature integral and surface torsion integral of the centre line. (a) The centre line is an imaginary line combining polynomials fitted to axis of G-ALPHA1 and G-ALPHA2 (see Figure 5, green line). The curvature integral of the centre line is stable along the MD simulation for all three TCR/pMHC complexes. (b) The surface torsion integral along the centre line between two polynomials that approximate MHC G-ALPHA1 and G-ALPHA2 is stable for B4405. The other two complexes differ: B4402 shows a drop in the surface torsion integral during the first 60 ns and rises afterwards. B4403 shows a generally decreasing trend.

(a)

(b)