Table I.
〈ϕ〉 Values for All Frames and for 100-ps Segments Immediately Before and After Tyr71 χ1 Transitions
| Simulation | All frames | 1SGZ-Aa | 1SGZ-Ba | 1SGZ-Ca | 1SGZ-Da | 1W50-Ca |
|---|---|---|---|---|---|---|
| χ1b | U | U→D | U→D | U→B | U→D | U→D |
| 〈ϕ〉 | 10.0 | 19.8→41.7 | 25.9→30.5 | 4.4→36.4 | 35.6→56.1 | 39.8→47.1 |
|
| ||||||
| χ1b | D | D→U | D→Bc | B→D | ||
| 〈ϕ〉 | 24.9 | 33.7→−1.8 | 45.5→17.7 | 29.2→39.6 | ||
|
| ||||||
| χ1b | B | U→Dc | ||||
| 〈ϕ〉 | 12.5 | 31.7→59.3 | ||||
a
Average values for the frames 100 ps before and after each transition in the given simulation.
b
U: TyrUp, D: TyrDown, B: TyrBack.
c
Transitions noted in bold occurred during production, not equilibration.