3GPR

crystal structure of rhodocetin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 126
  • Norm. En. per Res.: -4.4765
• Hub Node: A(3)

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	-68.6508	-58.3522	-437.04	-564.043	126	36	8	16648	4	35	23
A-C	-55.7422	32.8604	-237.953	-260.8347	66	30	2	8276	1	17	22
A-D	0.0	-14.7304	-26.1556	-40.886	29	0	0	1350	1	19	19
B-C	0.0	6.3903	-6.1563	0.234	25	0	0	542	0	3	5
B-D	0.0	-4.7115	-10.0982	-14.8096	13	0	0	652	0	4	5
C-D	-31.064	-24.6739	-449.616	-505.3539	135	47	6	17680	1	31	29

Interface residues

• A-B: ALA1037A, ALA1048A, ALA2047B, ALA2048B, ALA2050B, ALA2083B, ARG1045A, ARG1078A, ARG2030B, ARG2075B, ARG2096B, ASN1044A, ASN1074A, ASN1080A, ASN1093A, ASN2038B, ASN2076B, ASN2081B, ASN2089B, ASP1085A, ASP1106A, ASP2051B, ASP2054B, CYS2032B, CYS2098B, CYS2123B, GLN1077A, GLN1130A, GLN2102B, GLU1027A, GLU1043A, GLU1047A, GLU1073A, GLU1082A, GLU1092A, GLU1096A, GLU2029B, GLU2049B, GLU2074B, GLU2088B, GLU2092B, GLY1069A, GLY1086A, GLY2039B, GLY2045B, GLY2071B, GLY2082B, HIS1038A, HIS1115A, HIS2040B, ILE1068A, ILE1072A, ILE1089A, ILE2044B, LEU1039A, LEU1046A, LEU1070A, LEU1081A, LEU1094A, LEU1104A, LEU1111A, LEU2041B, LEU2053B, LEU2072B, LEU2077B, LEU2090B, LEU2122B, LYS1035A, LYS1071A, LYS1101A, LYS1113A, LYS1128A, LYS2078B, LYS2097B, LYS2107B, LYS2109B, LYS2112B, LYS2124B, MET1042A, MET1099A, MET1105A, PHE1103A, PHE1129A, PHE2099B, PHE2125B, PRO1097A, PRO1112A, PRO2126B, SER1041A, SER1079A, SER1084A, SER1087A, SER1088A, SER1090A, SER2043B, SER2046B, SER2084B, SER2086B, SER2108B, THR1031A, THR1116A, THR2070B, THR2073B, THR2080B, TRP1023A, TRP1083A, TRP1114A, TRP2025B, TRP2079B, TRP2104B, TRP2110B, TYR1012A, TYR1091A, TYR1095A, TYR1098A, TYR2014B, TYR2087B, TYR2091B, TYR2094B, TYR2111B, VAL1040A, VAL1049A, VAL2042B, VAL2085B, VAL2100B, VAL2101B
• A-C: ALA1117A, ALA3089C, ARG1028A, ARG1078A, ARG3030C, ARG3073C, ARG3075C, ARG3076C, ASN1074A, ASN1080A, ASN1093A, ASN3095C, ASN3097C, ASP1118A, ASP3026C, ASP3120C, CYS1102A, CYS1119A, CYS3104C, CYS3121C, GLN1077A, GLN3079C, GLN3080C, GLN3102C, GLN3122C, GLU1024A, GLU1073A, GLU1092A, GLU1096A, GLU1100A, GLU1120A, GLU1121A, GLU3078C, GLU3100C, GLY1076A, GLY1086A, GLY3099C, ILE1089A, ILE3091C, ILE3092C, LEU1081A, LEU1094A, LYS1071A, LYS1075A, LYS1101A, LYS3077C, MET1099A, MET3103C, PRO1097A, SER1079A, SER1087A, SER1088A, SER1090A, SER3088C, SER3090C, SER3101C, THR1022A, THR3024C, THR3098C, TRP1023A, TRP3096C, TYR1091A, TYR1095A, TYR1098A, TYR3093C, VAL3094C
• A-D: ALA1117A, ARG4044D, ARG4104D, ASN1093A, ASP1118A, ASP4103D, CYS1119A, GLU1096A, GLU1100A, GLU1120A, GLU4045D, GLU4046D, GLU4047D, HIS4042D, ILE4041D, ILE4105D, LEU1094A, LYS1101A, LYS4101D, MET1099A, PHE4106D, PRO1097A, SER4043D, THR4102D, TRP4107D, TYR1095A, TYR1098A, TYR4008D, TYR4011D
• B-C: ALA2047B, ALA2048B, ALA2050B, ASN3097C, ASP3120C, CYS3104C, CYS3121C, GLN3102C, GLN3122C, GLU2049B, GLU3100C, GLY2045B, GLY3099C, ILE2044B, LYS2107B, LYS2109B, MET3103C, SER2046B, SER3101C, SER3119C, THR3098C, TRP2110B, TRP3096C, TYR2014B, TYR3118C
• B-D: ARG4044D, ARG4104D, ASP4103D, GLU2105B, GLY2106B, LYS2107B, LYS2109B, LYS2112B, LYS4101D, PHE4106D, THR4102D, TRP2104B, TYR2111B
• C-D: ALA3050C, ALA3089C, ALA3108C, ALA4039D, ALA4048D, ALA4070D, ALA4072D, ALA4073D, ALA4082D, ALA4093D, ALA4096D, ARG3030C, ARG3038C, ARG3073C, ARG3075C, ARG3076C, ARG3114C, ARG4037D, ARG4044D, ARG4091D, ARG4092D, ARG4104D, ASN3095C, ASN3097C, ASN4068D, ASN4069D, ASN4109D, ASP3026C, ASP3047C, ASP3051C, ASP3074C, ASP3117C, ASP4080D, ASP4081D, ASP4085D, ASP4103D, CYS3032C, CYS3081C, CYS3104C, CYS4029D, CYS4074D, CYS4095D, CYS4120D, GLN3079C, GLN3080C, GLN3102C, GLN3105C, GLU3029C, GLU3049C, GLU3084C, GLU4026D, GLU4045D, GLU4046D, GLU4047D, GLU4077D, GLY3039C, GLY3045C, GLY3048C, GLY3071C, GLY3106C, GLY4035D, GLY4066D, HIS3014C, HIS3040C, HIS4042D, ILE3044C, ILE3070C, ILE3091C, ILE3092C, ILE4041D, ILE4105D, LEU3041C, LEU3072C, LEU3107C, LEU4038D, LEU4065D, LEU4067D, LEU4084D, LEU4090D, LEU4119D, LYS3115C, LYS3130C, LYS4075D, LYS4083D, LYS4087D, LYS4101D, LYS4121D, MET3087C, MET3103C, MET4098D, PHE3113C, PHE3131C, PHE4049D, PHE4106D, PHE4122D, SER3043C, SER3046C, SER3082C, SER3083C, SER3086C, SER3088C, SER3090C, SER3132C, SER4036D, SER4040D, SER4043D, SER4079D, THR3033C, THR3098C, TRP3025C, TRP3069C, TRP3085C, TRP3096C, TRP3110C, TRP3116C, TRP4022D, TRP4071D, TRP4076D, TRP4078D, TRP4089D, TRP4107D, TYR3093C, TYR3118C, TYR4011D, TYR4013D, TYR4030D, TYR4086D, TYR4094D, TYR4108D, TYR4123D, VAL3042C, VAL3094C, VAL4088D, VAL4097D, VAL4099D