1MST

crystal structure of ms2 capsids with mutations in the subunit fg loop

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -2.4536
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-8.4719	27.4516	-120.609	-101.6294	67	7	1	4851	0	5	4
A-C	-14.9755	21.3252	-114.646	-108.2963	65	4	3	4659	0	4	5
B-C	-38.8934	4.2305	-119.917	-154.5799	63	4	2	5067	0	4	6

Interface residues

• A-B: ALA1A, ALA21B, ALA26A, ALA26B, ALA30A, ALA41B, ALA53A, ALA80B, ALA96A, ARG38B, ARG49A, ARG56A, ARG83B, ASN24B, ASN27A, ASN27B, ASN36B, ASN3A, ASN55A, ASN98A, ASP100A, ASP76B, CYS101A, CYS46A, GLN40B, GLN50A, GLN54A, GLN6B, GLU31B, GLU63B, GLY28A, GLY28B, GLY73B, GLY74B, ILE33B, ILE92A, ILE94A, LEU77B, LYS43B, PHE25A, PHE25B, PHE4A, PHE4B, PHE95A, PRO22B, PRO78B, PRO93A, SER23B, SER2A, SER34B, SER35B, SER37B, SER39B, SER47A, SER99A, THR5B, THR71B, THR97A, TRP82B, TYR58A, TYR85B, VAL29A, VAL29B, VAL48A, VAL72B, VAL75B, VAL79B
• A-C: ALA1A, ALA1C, ALA21A, ALA26A, ALA26C, ALA30C, ALA41A, ALA53C, ALA80A, ALA96C, ARG38A, ARG49C, ARG56C, ARG83A, ASN24A, ASN27A, ASN27C, ASN36A, ASN3A, ASN3C, ASN55C, ASN98C, ASP100C, ASP76A, CYS101C, CYS46C, GLN40A, GLN50C, GLN54C, GLN6A, GLN70A, GLU31A, GLY28A, GLY28C, ILE33A, ILE92C, ILE94C, LEU77A, LYS43A, PHE25A, PHE25C, PHE4A, PHE4C, PHE95C, PRO22A, PRO78A, PRO93C, SER23A, SER2A, SER2C, SER34A, SER35A, SER37A, SER39A, SER47C, SER99C, THR5A, THR97C, TRP32A, TYR58C, VAL29A, VAL29C, VAL48C, VAL72A, VAL79A
• B-C: ALA1B, ALA21C, ALA26B, ALA26C, ALA30C, ALA41C, ALA53B, ALA80C, ALA96B, ARG38C, ARG49B, ARG56B, ARG83C, ASN24C, ASN27B, ASN27C, ASN36C, ASN3B, ASN55B, ASN98B, ASP100B, ASP76C, CYS101B, GLN40C, GLN50B, GLN54B, GLN6C, GLN70C, GLU31C, GLY28B, GLY28C, ILE33C, ILE92B, ILE94B, LEU77C, LYS43C, LYS57B, PHE25B, PHE25C, PHE4B, PHE4C, PHE95B, PRO22C, PRO78C, PRO93B, SER23C, SER2B, SER2C, SER34C, SER35C, SER37C, SER39C, SER47B, SER52B, SER99B, THR19C, THR5C, THR97B, TYR58B, VAL29B, VAL29C, VAL48B, VAL79C