1UUP

crystal structure of a dimeric form of streptococcal pyrogenic exotoxin a (spea1).

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 74
  • Norm. En. per Res.: -3.8835
• 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	-45.5829	-2.5488	-154.111	-202.2428	87	13	2	5680	4	28	34
A-C	0.0	7.1014	712.671	719.7723	27	8	0	2120	0	6	7
A-D	-17.5677	-46.851	-169.916	-234.3347	77	12	2	6768	1	23	25
B-C	-45.289	-46.3197	-195.774	-287.3827	74	12	1	7175	2	23	25
B-D	0.0	13.6303	713.079	726.7093	29	16	0	2330	0	6	8
C-D	-55.2434	4.1009	-163.231	-214.3736	86	14	2	5694	3	29	32

Interface residues

• A-B: ALA1068A, ALA2068B, ARG1011A, ARG2011B, ASN1064A, ASN2064B, ASP1045A, ASP2045B, ASP2185B, CYS1087A, CYS1090A, CYS2090B, GLN1008A, GLN1040A, GLN1065A, GLN1194A, GLN2008B, GLN2040B, GLN2065B, GLN2194B, GLU1061A, GLU1066A, GLU1189A, GLU1191A, GLU2061B, GLU2066B, GLU2189B, GLU2191B, HIS1010A, HIS1044A, HIS1085A, HIS2010B, HIS2044B, HIS2085B, LEU1009A, LEU1014A, LEU1041A, LEU1042A, LEU1086A, LEU1089A, LEU2009B, LEU2014B, LEU2041B, LEU2042B, LEU2062B, LEU2086B, LEU2089B, LYS1016A, LYS1059A, LYS1063A, LYS1072A, LYS1196A, LYS1202A, LYS2016B, LYS2059B, LYS2063B, LYS2072B, LYS2196B, LYS2202B, MET1067A, MET1199A, MET2067B, MET2199B, PHE1192A, PHE2187B, PHE2192B, PRO1188A, PRO1190A, PRO2188B, PRO2190B, SER1007A, SER1043A, SER1195A, SER2007B, SER2043B, SER2195B, THR1069A, THR1193A, THR2069B, THR2193B, TYR1083A, TYR1100A, TYR1197A, TYR2100B, TYR2197B, VAL1015A, VAL2015B
• A-C: ALA1093A, ALA3093C, ASN1092A, ASN3092C, ASP1045A, ASP3045C, CYS1087A, CYS1090A, CYS3087C, CYS3090C, GLU1061A, GLU1091A, GLU1094A, GLU3091C, GLU3094C, HIS1044A, LEU1041A, LEU1042A, LEU1086A, LEU1089A, LEU3041C, LEU3042C, LEU3089C, LYS1059A, LYS3059C, TYR1088A, TYR3088C
• A-D: ALA1093A, ALA4093D, ARG1095A, ARG4095D, ASN1017A, ASN1020A, ASN1054A, ASN1092A, ASN1162A, ASN4017D, ASN4020D, ASN4054D, ASN4092D, ASN4162D, ASP1056A, ASP4056D, CYS1087A, CYS1090A, CYS4087D, CYS4090D, GLN1019A, GLN1194A, GLN4019D, GLN4194D, GLU1091A, GLU1094A, GLU1191A, GLU4026D, GLU4091D, GLU4094D, GLU4191D, GLY1027A, GLY1052A, GLY4027D, GLY4052D, HIS1085A, HIS4085D, ILE1021A, ILE4021D, LEU1024A, LEU1086A, LEU1089A, LEU4024D, LEU4086D, LEU4089D, LYS1016A, LYS1057A, LYS1196A, LYS4016D, LYS4057D, LYS4196D, PHE1023A, PHE1192A, PHE4023D, PHE4192D, PRO1053A, PRO4053D, SER1051A, SER1096A, SER1195A, SER4051D, SER4096D, SER4195D, THR1193A, THR4193D, TYR1022A, TYR1055A, TYR1083A, TYR1084A, TYR1088A, TYR1197A, TYR4022D, TYR4055D, TYR4083D, TYR4084D, TYR4088D, TYR4197D
• B-C: ALA2093B, ALA3093C, ARG2095B, ARG3095C, ASN2017B, ASN2020B, ASN2054B, ASN2092B, ASN2162B, ASN3017C, ASN3020C, ASN3054C, ASN3092C, ASN3162C, ASP2056B, ASP3056C, CYS2087B, CYS2090B, CYS3087C, CYS3090C, GLN2019B, GLN2194B, GLN3019C, GLN3194C, GLU2091B, GLU2094B, GLU2191B, GLU3091C, GLU3094C, GLU3191C, GLY2052B, GLY3052C, HIS2085B, HIS3085C, ILE2021B, ILE3021C, LEU2024B, LEU2086B, LEU2089B, LEU3024C, LEU3086C, LEU3089C, LYS2016B, LYS2057B, LYS2196B, LYS3016C, LYS3057C, LYS3196C, PHE2023B, PHE2192B, PHE3023C, PHE3192C, PRO2053B, PRO3053C, SER2051B, SER2096B, SER2195B, SER3051C, SER3096C, SER3195C, THR2193B, THR3193C, TYR2022B, TYR2055B, TYR2083B, TYR2084B, TYR2088B, TYR2197B, TYR3022C, TYR3055C, TYR3083C, TYR3084C, TYR3088C, TYR3197C
• B-D: ALA2093B, ALA4093D, ASN2092B, ASN4092D, ASP2045B, ASP4045D, CYS2087B, CYS2090B, CYS4087D, CYS4090D, GLU2061B, GLU2091B, GLU2094B, GLU4091D, GLU4094D, HIS2044B, HIS4044D, LEU2041B, LEU2042B, LEU2086B, LEU2089B, LEU4041D, LEU4042D, LEU4086D, LEU4089D, LYS2059B, LYS4059D, TYR2088B, TYR4088D
• C-D: ALA3068C, ALA4068D, ARG3011C, ARG4011D, ASN3064C, ASN4064D, ASP3045C, ASP4039D, ASP4045D, CYS3090C, CYS4090D, GLN3008C, GLN3040C, GLN3065C, GLN3194C, GLN4008D, GLN4040D, GLN4065D, GLN4194D, GLU3061C, GLU3066C, GLU3189C, GLU3191C, GLU4061D, GLU4066D, GLU4189D, GLU4191D, HIS3010C, HIS3044C, HIS3085C, HIS4010D, HIS4044D, HIS4085D, LEU3009C, LEU3014C, LEU3041C, LEU3042C, LEU3062C, LEU3086C, LEU4009D, LEU4014D, LEU4041D, LEU4042D, LEU4086D, LYS3016C, LYS3059C, LYS3063C, LYS3072C, LYS3196C, LYS3202C, LYS4016D, LYS4059D, LYS4063D, LYS4072D, LYS4196D, LYS4202D, MET3067C, MET3199C, MET4067D, MET4199D, PHE3192C, PHE4192D, PRO3188C, PRO3190C, PRO4188D, PRO4190D, SER3007C, SER3043C, SER3195C, SER4007D, SER4043D, SER4195D, THR3069C, THR3193C, THR4069D, THR4193D, TYR3083C, TYR3088C, TYR3100C, TYR3197C, TYR4083D, TYR4088D, TYR4100D, TYR4197D, VAL3015C, VAL4015D