Molecular Modelling and Dynamics Study of nsSNP in STXBP1 Gene in Early Infantile Epileptic Encephalopathy Disease

Table 4

Effect of nsSNPs of STXBP1 gene on Hydrogenic and hydrphobic interactions.

SNP ID	Substitution	Variation impact on the hydrogen bond	Variation impact on hydrophobic bond
rs886041668	S42P	Loss of hydrogen bond with M38 residue	Gain of hydrophobic bond with L41 residue
rs1230238574	H103D	Loss of hydrogen bond with E72 residue	Loss of hydrophobic bond with T129 residue and gain of hydrophobic bond with F105 residue
rs796053355	R190W	Loss of hydrogen bonds with Q229, L494 and Y499 residues	Gain of hydrophobic bonds with A188, Q129, L231 and L494 residues
rs796053359	R235G	Loss of hydrogen bonds with Y157, D238, G544 and E549 residues	Loss of hydrophobic bonds with L446 and L573 residues and gain of hydrophobic bonds with L542 residue
rs587784456	D238E	Loss of hydrogen bonds with S240 and S241 residues	Loss of hydrophobic bond with I481 residue, gain of hydrophobic bond with S241 residue
rs1057524834	L256P	Loss of hydrogen bond with M252 residue	Loss of hydrophobic bonds with V362, M252 residues
rs1085307916	P335S	Gain of hydrogen bond with Q338 residue	No change
rs796053365	C354Y	Y354 residue has kept the same hydrogen bonds with L250, Y358 residues	Gain of hydrophobic bonds with F249, S253, L257, I296, and L350 residues
rs796053358	L365V	No change	Loss of hydrophobic bonds with T361, I393, and V399 residues and gain of hydrophobic bond with E369 residue
rs796053367	R406C	Loss of hydrogen bonds with V243 and D255 residues	No change
rs121918317	G544D	Gain of hydrogen bond with V573	Loss of hydrophobic bonds with S569 and H571 residues