. 2020 Jan 7;4:100019. doi: 10.1016/j.yjsbx.2020.100019

Table 4.

Summary of the Molprobity parameters for the considered structures.

	1IEE			2VB1			3WL2			6F1O
Parameter	Original	Refined	NMR	Original	Refined	NMR	Original	Refined	NMR	Original	Refined	NMR
target	Original	Refined	NMR	Original	Refined	NMR	Original	Refined	NMR	Original	Refined	NMR
Clashscore percentile	35th	23rd	19th	83rd	83rd	37th	0th	96th	96th	98th	94th	90th
Poor rotamers	2.10%	1.40%	2.10%	1.32%	0.66%	0%	3.33%	0.48%	0.48%	0%	0%	0%
<0.3%	2.10%	1.40%	2.10%	1.32%	0.66%	0%	3.33%	0.48%	0.48%	0%	0%	0%
Favored rotamers	92.31%	96.50%	95.10%	98.03%	98.03%	98.03%	95.24%	98.57%	98.57%	98.17%	98.17%	99.08%
>98%	92.31%	96.50%	95.10%	98.03%	98.03%	98.03%	95.24%	98.57%	98.57%	98.17%	98.17%	99.08%
Ramachandran outliers	0%	0%	0%	0.79%	0.79%	0.79%	0%	0.39%	0.39%	0%	0%	0%
<0.05%	0%	0%	0%	0.79%	0.79%	0.79%	0%	0.39%	0.39%	0%	0%	0%
Ramachandran favored	98.43%	98.43%	98.43%	97.64%	98.43%	98.43%	98.43%	98.43%	98.43%	100%	100%	100%
>98%	98.43%	98.43%	98.43%	97.64%	98.43%	98.43%	98.43%	98.43%	98.43%	100%	100%	100%
MolProbity score percentile	36th	43rd	31st	55th	66th	31st	2nd	98th	98th	99th	96th	95th