Figure 4.

TICA analyses for five TCR Vß variants in different stages of affinity maturation clearly show a significant rigidification of CDR 2 and the HV 4 loop. All TCR Vß variants are projected onto the combined tICA space of 24.1 µs trajectories of 1BEC, 9.5 µs trajectories of 2APB, 7 µs trajectories of 2APT, 8.8 µs trajectories of 2APF and 4.8 µs trajectories of 2APX. The X-ray structures crystallized without antigen are colored in orange, while the X-ray structures crystallized with antigen are colored blue. Both of them are projected into the tICA analyses. Additionally, a graphical representation of the loop flexibility is shown as representative ensemble below the tICA analyses.