1S4Y

crystal structure of the activin/actriib extracellular domain

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 82
  • Norm. En. per Res.: -2.8763
• 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	-34.1315	-29.8314	-171.897	-235.8599	82	7	6	7911	4	31	27
A-D	0.0	0.0	-0.0221	-0.0221	2	0	0	10	0	0	0
B-D	-18.9508	0.0	473.857	454.9062	114	20	12	10588	0	18	17
C-D	-21.4456	-11.1241	-180.771	-213.3407	78	12	6	8056	1	30	27

Interface residues

• A-B: ALA12A, ALA31B, ALA39A, ARG34A, ARG42A, ARG87B, ASN11A, ASN13A, ASN61A, ASN99B, ASP104B, ASP32A, ASP58A, ASP59A, ASP95B, CYS27A, CYS37A, CYS55A, CYS62A, CYS7A, CYS80A, CYS81A, GLN106B, GLN31A, GLN76A, GLN98B, GLU111B, GLU112B, GLU17A, GLU25A, GLU28A, GLU30A, GLU49A, GLU72A, GLY29A, GLY34B, GLY54A, GLY97B, HIS36A, HIS36B, ILE100B, ILE101B, ILE105B, ILE109B, ILE29B, ILE30B, LEU16A, LEU35A, LEU57A, LEU86B, LEU92B, LYS102B, LYS103B, LYS33A, LYS52A, LYS53A, LYS85B, MET108B, MET89B, MET91B, PHE17B, PHE20B, PHE60A, PHE79A, PRO32B, PRO75A, PRO88B, SER33B, SER40A, SER90B, THR71A, TRP41A, TRP56A, TYR35B, TYR38A, TYR63A, TYR78A, TYR93B, TYR94B, TYR9A, VAL51A, VAL77A
• A-D: GLN106D, GLN31A
• B-D: ALA37B, ALA37D, ARG67B, ARG69B, ARG69D, ARG87B, ARG87D, ASN107B, ASN107D, ASN38B, ASN38D, ASN64B, ASN76B, ASP22B, ASP22D, CYS115B, CYS115D, CYS40B, CYS40D, CYS44D, CYS80B, CYS80D, CYS81B, CYS81D, GLN106B, GLN106D, GLN15D, GLU111B, GLU41D, GLY114B, GLY114D, GLY24B, GLY24D, GLY34D, GLY42D, HIS36B, HIS36D, HIS59B, HIS59D, HIS65B, HIS65D, ILE105B, ILE105D, ILE109B, ILE109D, ILE23B, ILE23D, ILE29B, ILE29D, ILE63B, ILE63D, LEU56B, LEU77B, LEU86B, LEU86D, LYS13B, LYS14B, LYS14D, LYS21B, LYS78B, LYS85B, LYS85D, MET108B, MET108D, MET89B, MET89D, MET91B, MET91D, PHE16B, PHE16D, PHE17B, PHE17D, PHE20B, PHE20D, PHE58B, PHE58D, PHE74B, PRO32D, PRO73B, PRO83B, PRO83D, PRO88B, SER116B, SER116D, SER19B, SER19D, SER57B, SER60B, SER60D, SER79B, THR61B, THR61D, THR84B, THR84D, TRP25B, TRP25D, TRP28B, TRP28D, TYR35B, TYR35D, TYR39B, TYR39D, TYR66B, TYR66D, TYR93B, TYR93D, VAL110B, VAL110D, VAL18B, VAL18D, VAL62B, VAL62D, VAL82B, VAL82D
• C-D: ALA12C, ALA31D, ALA39C, ARG34C, ARG42C, ARG87D, ASN11C, ASN13C, ASN61C, ASN99D, ASP104D, ASP32C, ASP58C, ASP59C, ASP95D, CYS55C, CYS62C, CYS80C, CYS81C, GLN106D, GLN76C, GLN98D, GLU111D, GLU17C, GLU25C, GLU28C, GLU30C, GLU49C, GLU72C, GLY29C, GLY34D, GLY54C, GLY97D, GLY98C, HIS36C, HIS36D, ILE100D, ILE101D, ILE105D, ILE109D, ILE29D, ILE30D, LEU16C, LEU35C, LEU50C, LEU57C, LEU86D, LEU92D, LYS102D, LYS103D, LYS21D, LYS33C, LYS52C, LYS53C, LYS85D, MET108D, MET89D, MET91D, PHE17D, PHE60C, PHE79C, PRO32D, PRO75C, PRO88D, SER33D, SER40C, SER90D, TRP41C, TRP56C, TYR35D, TYR38C, TYR63C, TYR78C, TYR93D, TYR94D, TYR9C, VAL51C, VAL77C