3S1J

crystal structure of acetate-bound hell's gate globin i

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 75
  • Norm. En. per Res.: -3.3453
• Hub Node: A(1)

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	-63.6155	21.754	-209.033	-250.8945	75	5	15	9179	0	12	3
B-C	-32.7365	19.4818	-143.191	-156.4457	55	7	1	5556	2	16	14

Interface residues

• A-B: ALA30A, ALA30B, ARG52A, ARG52B, ASN20A, ASN20B, ASN22A, ASN22B, ASN31A, ASN31B, ASN45A, ASN45B, GLN44A, GLN44B, GLN50A, GLN50B, GLU105A, GLU105B, GLU23A, GLU23B, GLU35A, GLU35B, GLU36A, GLU36B, GLY108B, GLY25A, GLY25B, ILE24A, ILE24B, ILE47A, ILE47B, LEU107B, LEU26A, LEU26B, LEU27A, LEU27B, LEU32A, LEU32B, LEU42A, LEU42B, LYS21A, LYS21B, LYS34A, LYS34B, PHE28A, PHE28B, PHE33A, PHE33B, PHE43A, PHE43B, PRO19A, PRO37A, PRO37B, PRO46A, PRO46B, SER102A, SER102B, SER40A, SER40B, SER48A, SER48B, SER49A, SER49B, SER51A, SER51B, THR38A, THR38B, TYR106A, TYR106B, TYR29A, TYR29B, VAL39A, VAL39B, VAL41A, VAL41B
• B-C: ALA115B, ALA118B, ARG16B, ARG80C, ARG81C, ASN20B, ASP3B, ASP66B, ASP89C, GLN109B, GLN44C, GLN4B, GLN84C, GLU113B, GLU114B, GLU12B, GLU18B, GLU36C, GLU6B, GLU8B, GLY108B, GLY110B, GLY79C, GLY86C, HIS82C, HIS91C, ILE10B, ILE17B, ILE65B, LEU107B, LEU42C, LEU94C, LEU9B, LYS11B, LYS15B, LYS5B, LYS7B, LYS83C, PHE111B, PHE43C, PRO19B, PRO37C, SER13B, SER40C, SER90C, THR112B, THR131C, THR38C, TRP14B, TYR85C, TYR92C, VAL39C, VAL41C, VAL87C, VAL88C