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. Author manuscript; available in PMC: 2022 May 17.
Published in final edited form as: Nat Methods. 2019 Nov 18;17(1):73–78. doi: 10.1038/s41592-019-0628-z

Table 1.

Geometry of the pCA chromophore after refinement.

dark 3 ps 10 ps 30 ps 80 ps 100 ps
aNext -- 16 30 29 29 40
H-bond [Å]
pCA to E46
2.55 3.30 2.82 2.87 2.86 2.79
H-bond [Å]
pCA to Y42
2.58 2.57 2.65 2.62 2.64 2.39
φtail [°] 172 39 51 54 40 30
a

characteristic N used to calculate extrapolated maps

The length of the hydrogen bonds from the pCA head hydroxyl to Glu 46 and Tyr 46 as well as the torsional angle φ of the pCA tail defined by pCA carbon atoms C1, C2, C3 and C1’ is shown. For the tail in the trans configuration φ is close to 180°, in the cis configuration φ it is close to 0°.