In Silico Screening and Molecular Dynamics Simulation of Disease-Associated nsSNP in TYRP1 Gene and Its Structural Consequences in OCA3

Table 4

Average values of RMSD, Rg, SASA, NH-bonds, trace of co-variance, and density value of native and mutant (R326H and R356Q) structures.

	Native	Mutant (R326H)	Mutant (R356Q)
RMSD	0.62	0.50	0.52
Rg	1.84	1.81	1.79
SASA	74.5	71.2	69.1
NH-bonds	84.7	93.2	92.4
Density value	41.9	52.2	52.3
Trace of Co-variance	11.56	10.74	8.16

RMSD: root-mean-square deviation; Rg: radius of gyration; SASA: solvent accessible surface area; NH bonds: number of hydrogen bonds. The value of RMSD, Rg and SASA, co-variance, and total helicity are given in nm, whereas density value is given in nm⁻³.