Table 2. Average Quality Assessment Measures before and after Refinement Using locPREFMD from MolProbity (MP),¹³ VERIFY3D,¹⁰ and PROCHECK (PC)¹² for the Refinement, Server, and Regular Test Sets Considered Here.

	refinement		servers		regular
quality measure	initial	locPREFMD	initial	locPREFMD	initial	locPREFMD
MP totalscore	2.00	0.91	3.16	1.51	2.90	1.41
MP clashscore	23.27	0.11	59.54	0.96	51.17	0.80
MP rotamer outliers [%]	3.64	1.11	5.72	3.53	6.05	3.11
MP Ramach. outliers [%]	1.97	1.08	4.51	2.47	4.63	2.35
VERIFY3D	0.36	0.43	0.33	0.33	0.32	0.32
PC G-factor	–0.19	–0.06	–0.48	–0.20	–0.33	–0.18
PC mainchain bonds [%]	89.51	99.96	90.97	99.90	89.86	99.92
PC mainchain angles [%]	86.80	94.43	85.18	93.15	84.55	93.47
PC side chain planarity [%]	86.83	96.43	94.08	95.05	89.73	95.46