2Z8A

ligand migration and binding in the dimeric hemoglobin of scapharca inaequivalvis: i25w with co bound to heme and in the presence of 3 atoms of xe

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -3.6791
• 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	-36.8955	-57.0878	-237.132	-331.1153	90	6	3	9911	5	43	28

Interface residues

• A-B: ALA1076A, ALA1098A, ALA2076B, ALA2098B, ARG1053A, ARG1067A, ARG1104A, ARG2053B, ARG2067B, ARG2104B, ASN1063A, ASN1079A, ASN1086A, ASN1100A, ASN2063B, ASN2079B, ASN2086B, ASN2100B, ASP1064A, ASP1082A, ASP1088A, ASP1089A, ASP2064B, ASP2082B, ASP2088B, ASP2089B, CYS1092A, CYS2092B, GLN1078A, GLN1083A, GLN2078B, GLN2083B, GLU1095A, GLU2095B, GLY1068A, GLY2068B, HIS1069A, HIS2069B, ILE1071A, ILE1081A, ILE1102A, ILE2071B, ILE2081B, ILE2102B, LEU1054A, LEU1066A, LEU1073A, LEU1077A, LEU1090A, LEU2054B, LEU2066B, LEU2073B, LEU2077B, LEU2090B, LYS1029A, LYS1030A, LYS1065A, LYS1096A, LYS2029B, LYS2030B, LYS2065B, LYS2096B, MET1061A, MET1074A, MET2061B, MET2074B, PHE1080A, PHE1097A, PHE2080B, PHE2097B, PRO1087A, PRO2087B, SER1070A, SER2070B, THR1072A, THR1103A, THR2072B, THR2103B, TYR1004A, TYR1075A, TYR2004B, TYR2075B, VAL1091A, VAL1093A, VAL1094A, VAL1099A, VAL2091B, VAL2093B, VAL2094B, VAL2099B