3MIM

x-ray snapshot of hiv-1 protease in action: observation of tetrahedral intermediate and its sihb with catalytic aspartate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -6.3872
• 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	-188.7028	-20.8964	-576.031	-785.6302	123	64	20	22106	4	8	7
A-X	-13.1414	4.446	-77.2507	-85.9461	38	6	5	3249	0	4	6
B-X	-19.073	-11.6566	-86.5786	-117.3082	33	7	5	3073	2	4	6

Interface residues

• A-B: ALA1028B, ALA1095B, ALA28A, ARG1008B, ARG1087B, ARG87A, ARG8A, ASN1083B, ASN1088B, ASN1098B, ASN83A, ASN88A, ASN98A, ASP1025B, ASP1029B, ASP1030B, ASP25A, ASP29A, ASP30A, CYS1067B, CYS67A, GLN1002B, GLN1007B, GLN1092B, GLN2A, GLN7A, GLN92A, GLY1027B, GLY1048B, GLY1049B, GLY1051B, GLY1052B, GLY1068B, GLY1078B, GLY1086B, GLY1094B, GLY1100B, GLY1101B, GLY27A, GLY48A, GLY49A, GLY51A, GLY52A, GLY68A, GLY78A, GLY86A, GLY94A, HIS1069B, HIS69A, ILE1047B, ILE1050B, ILE1054B, ILE1066B, ILE1084B, ILE1085B, ILE1093B, ILE47A, ILE50A, ILE54A, ILE66A, ILE84A, ILE85A, ILE93A, LEU1005B, LEU1010B, LEU1023B, LEU1024B, LEU1033B, LEU1076B, LEU1089B, LEU1090B, LEU1097B, LEU10A, LEU23A, LEU24A, LEU33A, LEU5A, LEU76A, LEU89A, LEU90A, LEU97A, LYS1055B, LYS55A, MET95A, PHE1053B, PHE1099B, PHE53A, PHE99A, PRO1001B, PRO1009B, PRO1079B, PRO1081B, PRO1A, PRO79A, PRO81A, PRO9A, SER1102B, SER1103B, THR1004B, THR1026B, THR1031B, THR1080B, THR1091B, THR1096B, THR12A, THR26A, THR31A, THR4A, THR80A, THR91A, THR96A, TRP1006B, TRP6A, VAL1003B, VAL1011B, VAL1032B, VAL1056B, VAL1082B, VAL11A, VAL32A, VAL3A, VAL56A, VAL82A
• A-X: ALA28A, ARG87A, ARG8A, ASN83A, ASP25A, ASP29A, ASP30A, ASP7X, GLU2X, GLU34A, GLY27A, GLY48A, GLY49A, GLY52A, GLY86A, ILE47A, ILE50A, ILE54A, ILE84A, ILE85A, LEU23A, LEU24A, LEU33A, LEU76A, LYS45A, MET46A, PHE53A, PRO81A, PRO9A, THR26A, THR31A, THR3X, THR80A, TYR5X, VAL32A, VAL56A, VAL6X, VAL82A
• B-X: ALA1028B, ARG1008B, ARG1087B, ASP1025B, ASP1029B, ASP1030B, ASP7X, GLU2X, GLY1027B, GLY1048B, GLY1049B, GLY1051B, GLY1052B, GLY1086B, ILE1047B, ILE1050B, ILE1054B, ILE1084B, LEU1023B, LEU1076B, LYS1045B, MET1046B, PHE1053B, PRO1081B, THR1026B, THR1031B, THR1080B, THR3X, TYR5X, VAL1032B, VAL1056B, VAL1082B, VAL6X