Structural Analysis of Respirasomes in Electron Transfer Pathway of Acidithiobacillus ferrooxidans: A Computer-Aided Molecular Designing Study

Table 1

Calculation of H-bonds between the residues around 3.5 Å of Cu atom within RcY protein during MD simulation.

RcY (residues)	Donor	Acceptor	RcY (residues)	Distance (Å)	Average duration (ns)
Ser53	OG	O	Pro52	2.6	3
Asn80	N	O	Val45	2.7	2.9
Asn80	ND2	NE2	His85	2.9	3.9
His85	N	OG	Ser112	2.7	4
Ser86	N	SG	Cys138	3.1	4.9
Ser112	N	O	Gly84	2.8	2.9
Ser112	OG	O	His85	2.5	4.1
Ile40	N	O	Cys138	3.0	1.6
His143	N	O	Ile40	2.9	4.5
Met148	N	O	Pro52	3.1	4.3