Table 4 Results of the molecular dynamic simulation
|  | BRCA1:(NM_007294.4): c.3392A > G; p.Asp1131Gly (rs1555587813) | BRIP1:(NM_007294.4): c.3103C > T; p.Arg1035Cys (rs45437094) | CHEK2:(NM_007194.4): c.60G > T; p.Gln20His (rs375507194) | STK11:(NM_000455.5): c.355A > G; p.Asn119Asp (rs545015076) |
|---|---|---|---|---|
RMSD | RMSD values of both the wild-type and variant proteins were relatively similar | RMSD values of the wild-type protein were generally higher than that of the variant protein suggesting the variant protein is more stable than the wild-type protein during the simulation time | RMSD values of both the wild-type and variant proteins were relatively similar | RMSD values of the wild-type protein were lower than that of the variant protein suggesting less stable conformation in the variant protein |
RMSF | At the position of interest, the variant protein had a higher RMSF value than the wild-type protein suggesting the wild-type protein is more rigid or stable in that region | RMSF values of the wild-type protein are higher than that of the variant protein, suggesting that the variant protein has a stable amino acid conformation during the simulation period | RMSF values of both the wild-type and the variant proteins were generally low, suggesting more stable amino acid conformation during the simulation time. However, the first few residue indexes where the point of interest was included, showed a higher RMSF value compared to the rest of the residue indexes | RMSF values of the wild-type protein were comparatively lower than that of the variant protein suggesting the amino acid conformation in the variant protein is less stable than the wild-type protein |