In silico vaccine design and epitope mapping of New Delhi metallo-beta-lactamase (NDM): an immunoinformatics approach

Table 8 Evaluation of RMSD, favored rotamers, Ramachandran favored, and Z-score of six vaccine constructs

	Rank	RMSD (Å)	Favored rotamers (%)	Ramachandran favored (%)	Z-score
Vaccine 1	1	7.5107	96.23	93.56	− 2.32 ± 0.49
	2	6.9878	98.11	93.07	− 1.63 ± 0.53
	3	7.2056	99.37	92.08	0.80 ± 0.58
	4	8.2021	99.37	88.12	− 1.24 ± 0.57
	5	10.122	95.60	92.57	− 1.72 ± 0.52
Vaccine 2	1	7.3	98.74	94.06	0.73 ± 0.61
	2	8.1636	98.11	93.56	− 1.57 ± 0.54
	3	7.9784	100.00	97.03	0.68 ± 0.58
	4	8.018	97.48	94.55	0.05 ± 0.56
	5	8.2166	98.74	94.55	− 0.86 ± 0.55
Vaccine 3	1	6.4034	100.00	90.59	− 1.99 ± 0.52
	2	7.1167	100.00	94.55	0.49 ± 0.59
	3	7.7406	98.11	93.56	− 1.90 ± 0.54
	4	8.2312	98.74	95.05	0.22 ± 0.59
	5	9.4755	97.48	94.55	− 1.14 ± 0.55
Vaccine 4	1	8.0477	94.34	90.10	− 1.95 ± 0.54
	2	8.0874	98.74	94.55	− 2.82 ± 0.52
	3	9.6278	96.86	95.05	− 1.12 ± 0.55
	4	8.2284	96.86	95.05	0.71 ± 0.59
	5	10.131	98.74	95.54	− 0.72 ± 0.56
Vaccine 5	1	6.8903	98.11	92.57	0.28 ± 0.59
	2	7.2672	96.86	93.07	0.49 ± 0.60
	3	7.6564	98.74	96.53	− 1.14 ± 0.54
	4	8.7086	98.11	95.54	− 1.76 ± 0.55
	5	7.7784	97.48	95.05	0.56 ± 0.59
Vaccine 6	1	6.5636	96.23	92.08	− 0.32 ± 0.60
	2	7.2168	99.37	93.07	− 0.87 ± 0.55
	3	7.3298	99.37	96.04	0.18 ± 0.61
	4	7.4151	96.23	87.13	− 2.71 ± 0.52
	5	8.1497	96.86	92.08	− 1.39 ± 0.50

ISSN: 1471-2105