First report on molecular docking analysis and drug resistance substitutions to approved HCV NS5A and NS5B inhibitors amongst Iranian patients

Table 7 The evaluation of refined models by 4 onlien programs

HCV	Models	Qmean	ERRAT	ProSA-web	Rampage (Ramachandran plot)
NS5A 1a	1	− 0.89	72.8507	− 4.72	94.3%, 3.5%
	2	− 0.45	69.6833	− 4.58	93.8%, 3.5%
	3	− 1.12	68.1818	− 4.49	93.8%, 4.0%
	4	− 0.9	69.6833	− 4.7	93.8%, 3.5%
	5	− 0.59	70.5882	− 4.75	93.8%, 4.4%
	Itasser	− 4.64	78.733	NA	85.9%, 8.4%
NS5A 3a	1	− 4.45	85.3333	− 4.48	88.7%, 6.5%
	2	− 4.09	85.7143	− 4.55	89.2%, 6.5%
	3	− 4.46	87.0536	− 4.58	88.7%, 6.9%
	4	− 3.98	80.8889	− 4.43	88.7%, 6.9%
	5	− 4.34	86.6667	− 4.53	89.2%, 6.5%
	Itasser	− 6.56	86.2222	na	73.2%, 18.2%
NS5B 1a	1	− 1.06	83.737	− 10.85	96.3%, 3.2%
	2	− 1.14	88	− 10.85	96.1%, 3.2%
	3	− 1.19	89.4464	− 10.79	95.6%, 4.1%
	4	− 1.16	85.4167	− 10.71	96.1%, 3.2%
	5	− 1.10	86.8284	− 10.82	95.6%, 3.7%
	Itasser	− 4.17	93.1389	na	87.3%, 8.7%
NS5B 3a	1	− 1.26	86.7241	− 11.59	96.6%, 2.9%
	2	− 1.06	92.6117	− 11.35	96.6%, 3.1%
	3	− 1.37	91.7241	− 11.49	96.6%,2.9%
	4	− 1.25	93.1271	− 11.38	96.%, 2.7%
	5	− 1.11	92.4138	− 11.23	96.8%,2.7%
	Itasser	− 4.29	94.3493	na	87.1%, 9.3%

ISSN: 1471-230X