Table 3.

Various average energy parameters of each system after Molecular Dynamics (MD) simulation analysis.

Various energies and structural validation statistics	Maize	Wheat	T. urartu	Ae. tauschii	Brachypodium	Rice	Barley	Sorghum	Arabidopsis	Chickpea	Potato
Total energy in Kcal/mol	−339,510	−345,632	−320019.9	−345768.8	−338027.48	−375,651	−373,275	−337,195	−344537.89	−353074.87	−342,517
Potential energy in Kcal/mol	−430,721	−437,789	−404186.1	−438186.7	−426788.93	−475,387	−472,755	−427257.56	−437024.80	−447208.06	−433,711
Volume (Å3)	1,547,957	1,558,700	1450820.1	1,561,993	1531665.44	1,439,503	1,429,764	1531994.11	1568638.944	1598327.28	1,556,526
Atoms in each orthorhombic box	182078	183,110	169,772	183,562	178,846	145,566	144,623	179,298	184,546	188,194	182,880
Added Na+ ions	29	44	42	43	45	50	46	45	22	32	20
dFire energy	−2647.3	−2461.2	−2253.5	−2659.85	−2511.89	−266.53	−2651.3	−2636.77	−2634.55	−2651.31	−2657.8
QMEAN6	0.698	0.691	0.66	0.68	0.681	0.704	0.692	0.695	0.69	0.692	0.701
Core region	84.2	83.6	82.8	83	82.6	83.3	84	84	82.9	82.7	83.9
Allowed region	14.7	14.9	15.7	15.4	16	15.5	14.8	14.3	16	15.2	14.9
Generously allowed region	0.9	1.3	1	1.1	1.1	0.9	0.9	1.2	0.5	1.6	0.8
Disallowed region	0.3	0.3	0.5	0.5	0.3	0.3	0.3	0.5	0.6	0.5	0.4
G factor	−0.97	−0.98	−0.99	−0.99	−1.01	−0.93	−0.94	−1	−0.97	−1.01	−0.97