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. Author manuscript; available in PMC: 2018 Dec 14.
Published in final edited form as: J Phys Chem B. 2017 Nov 30;121(49):11072–11084. doi: 10.1021/acs.jpcb.7b08785

Table 3.

Rotational diffusion parameters of villin at different concentrations

[villin]
(mM)
Np τRf
(ns)
τRf−1
(ns−1)
τRs
(ns)
τRs−1
(ns−1)
SR2 τ
(ns−1)
τini
(ns−1)
Dr
(ns−1)
Dr,ini
(ns−1)
Dr slow-down Dr, ini slow-down
dilute 1 0.59
(0.08)
1.870
(0.321)
1.48
(0.45)
0.887
(0.181)
0.49
(0.13)
0.820
(0.026)
0.722
(0.022)
0.204
(0.006)
0.232
(0.007)
1 1
8 8 0.97
(0.13)
1.142
(0.110)
3.96
(0.93)
0.342
(0.052)
0.17
(0.03)
1.388
(0.180)
1.095
(0.128)
0.134
(0.014)
0.166
(0.015)
0.65 0.72
16 8 1.00
(0.09)
1.069
(0.099)
3.80
(0.21)
0.271
(0.016)
0.42
(0.05)
2.223
(0.207)
1.489
(0.118)
0.082
(0.009)
0.119
(0.011)
0.41 0.51
32 8 1.83
(0.20)
0.601
(0.065)
13.81
(0.81)
0.075
(0.005)
0.52
(0.06)
8.151
(0.910)
3.574
(0.487)
0.024
(0.004)
0.057
(0.010)
0.12 0.25
32 64 2.70
(0.15)
0.445
(0.023)
24.50
(1.07)
0.047
(0.003)
0.54
(0.02)
14.445
(0.721)
5.550
(0.369)
0.014
(0.001)
0.038
(0.002)
0.07 0.16

Fast (τRf) and slow (τRs) correlation times and SR2 weight as in Eq. 8. Averaged inverse tumbling times are reported as well. Total tumbling times τ and τini were obtained according to Eqs. 10 and 11. Rotational diffusion coefficients Dr and Dr,ini were obtained according to Eq. 9. Error estimates are given in parentheses and the slow-down is relative to rotation in dilute solvent.