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. Author manuscript; available in PMC: 2017 Nov 17.
Published in final edited form as: J Phys Chem B. 2016 Dec 1;121(15):3493–3501. doi: 10.1021/acs.jpcb.6b09358

Table 1.

Δ%2D vs. Bayesian log (k) for VDR Helix 10.

Res Δ%2D Bayesian
Δlog(k) Z Apo log(k)
K386 −35.9 0.52 2.8 −4.16
L387 −35.9 0.52 2.8 −4.16
A388 −35.9 0.52 2.8 −4.16
D389 −35.9 0.52 2.8 −4.16
L390 −49.8 −0.03 0.1 −5.02
R391 −57.3 −0.47 0.8 −0.39
S392 −57.3 0.09 0.2 −0.67
L393 −57.3 −1.98 21.3 −0.87
E394 −57.3 −1.98 21.3 −0.87
E395 −57.3 −1.98 21.3 −0.87
H396 −57.3 −1.98 21.3 −0.87