In Silico Analysis on the Interaction of Haloacid Dehalogenase from Bacillus cereus IndB1 with 2-Chloroalkanoic Acid Substrates

Table 3

Summary of Bcfd1 models evaluation using WHATCHECK.

No	Model	Structure Z-scores (positive is better than average)			RMS Z-scores (should be close to 1.0)
		1st generation packing quality	Ramachandran plot appearance	chi1/chi2 rotamer normality	Bond lengths	Bond angles	Omega angle restraints	Side chain planarity
1	Bcfd1_01	−0.631	−3.654	−3.605	0.62	1.383	2.383	1.623
2	Bcfd1_02	−0.208	-0.305	2.672	0.737	0.907	0.777	0.744
3	Bcfd1_03	1.117	1.110	4.636	0.708	0.825	0.524	0.518
4	Bcfd1_04	−0.062	−0.892	3.301	0.767	0.962	0.603	0.687
5	Bcfd1_05	−1.091	−4.414	−3.018	0.652	1.514	2.817	2.155
6	Bcfd1_06	1.128	0.832	2.566	3.888	2.247	1.026	0.028