3RSJ

structure of hcrf in complex with ganglioside gd1a

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 136
  • Norm. En. per Res.: -2.2424
• 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	-39.9621	-21.2708	-205.715	-266.9478	139	23	0	9794	0	48	56
A-C	0.0	0.0	-0.1883	-0.1883	9	0	0	59	0	1	2
A-D	-46.3216	-6.156	-124.126	-176.6036	85	7	1	5931	0	15	14
B-D	0.0	0.0	-0.5961	-0.5961	9	0	0	131	0	3	3
C-D	-46.8651	-18.7392	-239.362	-304.9663	136	12	0	9899	0	47	58

Interface residues

• A-B: ARG1058A, ARG1058B, ARG1103A, ARG1103B, ARG1152A, ARG1152B, ARG1179A, ARG1179B, ARG904A, ARG904B, ASN1055A, ASN1055B, ASN1101A, ASN1101B, ASN1164A, ASN1164B, ASN1278A, ASN1278B, ASN878A, ASN878B, ASN879A, ASN879B, ASN894A, ASN894B, ASN947A, ASN947B, ASN952A, ASN952B, ASN953A, ASN953B, ASP1056A, ASP1056B, ASP1163A, ASP1163B, ASP1178A, ASP1178B, ASP1180A, ASP1180B, ASP896A, ASP896B, CYS1054A, CYS1054B, GLN1276A, GLN1276B, GLU1148A, GLU1148B, GLU1272A, GLU1272B, GLU1277A, GLU1277B, GLU916B, GLU954A, GLU954B, GLY1053A, GLY1053B, GLY1274A, GLY1274B, GLY895A, GLY895B, HIS1273A, HIS1273B, ILE1051A, ILE1051B, ILE1150A, ILE1150B, ILE893A, ILE893B, ILE899A, ILE899B, LEU1099A, LEU1099B, LYS1050A, LYS1050B, LYS1102A, LYS1102B, LYS1134A, LYS1134B, LYS1153A, LYS1153B, LYS1271A, LYS1271B, LYS880A, LYS880B, LYS913A, LYS913B, PHE1165A, PHE1165B, PHE946A, PHE946B, PRO914A, PRO914B, SER1270A, SER1270B, SER901A, SER901B, SER911A, SER911B, SER912A, SER912B, SER915A, SER915B, THR1057A, THR1057B, THR902A, THR902B, TRP1275A, TRP1275B, TYR1059A, TYR1059B, TYR1100A, TYR1100B, TYR1104A, TYR1104B, TYR1105A, TYR1105B, TYR1132A, TYR1132B, TYR1144A, TYR1144B, TYR876A, TYR876B, TYR898A, TYR898B, TYR900A, TYR900B, TYR910A, TYR910B, TYR955A, TYR955B, VAL1052A, VAL1052B, VAL1177A, VAL1177B, VAL1181A, VAL1181B, VAL897A, VAL897B, VAL949A, VAL949B
• A-C: ARG1179C, ASN1037A, ASN1119C, ASN988A, GLN989A, LYS1033A, LYS990A, SER1036A, SER1120C
• A-D: ARG1111D, ASN1026D, ASN1028A, ASN1028D, ASN1136A, ASN1136D, ASN1140D, ASN950A, ASN952A, ASN952D, ASN953A, ASN973A, ASN973D, ASN975A, ASN975D, ASN988A, ASN994A, ASN994D, ASP1003D, ASP1031A, ASP1031D, ASP1113A, ASP1113D, GLN1128A, GLN1133A, GLN997A, GLN997D, GLU1032A, GLU1032D, ILE1001D, ILE1023A, ILE1023D, ILE1025A, ILE1025D, ILE1030A, ILE1030D, ILE1137A, ILE1137D, ILE977A, ILE977D, ILE978A, ILE978D, ILE999A, ILE999D, LEU1029A, LEU1029D, LEU1110D, LEU951A, LEU951D, LEU991A, LEU991D, LYS1033A, LYS1033D, LYS1114A, LYS948A, LYS948D, LYS976A, LYS976D, LYS990A, MET998A, MET998D, PHE1138A, PHE1138D, PHE993A, PHE993D, PRO1135A, PRO1135D, SER1000A, SER1000D, SER1002D, SER1139A, SER1139D, THR1259D, THR996A, THR996D, TYR1004A, TYR1004D, TYR974A, TYR974D, TYR995A, TYR995D, VAL949A, VAL949D, VAL992A, VAL992D
• B-D: ARG1179B, ASN1037D, ASN1119B, ASN988D, GLN989D, LYS1033D, LYS990D, SER1036D, SER1120B
• C-D: ARG1058C, ARG1058D, ARG1103C, ARG1103D, ARG1152C, ARG1152D, ARG1179C, ARG1179D, ARG904C, ARG904D, ASN1055C, ASN1055D, ASN1101C, ASN1101D, ASN1164C, ASN1164D, ASN1278C, ASN1278D, ASN878C, ASN878D, ASN879C, ASN879D, ASN894C, ASN894D, ASN947C, ASN947D, ASN952D, ASN953C, ASN953D, ASP1056C, ASP1056D, ASP1163C, ASP1163D, ASP1178C, ASP1178D, ASP1180C, ASP1180D, ASP896C, ASP896D, CYS1054C, CYS1054D, GLN1276C, GLN1276D, GLU1148C, GLU1148D, GLU1272C, GLU1272D, GLU1277C, GLU1277D, GLU916C, GLU954C, GLU954D, GLY1053C, GLY1053D, GLY1274C, GLY1274D, GLY895C, GLY895D, HIS1273C, HIS1273D, ILE1051C, ILE1051D, ILE1150C, ILE1150D, ILE893C, ILE893D, ILE899C, ILE899D, LEU1099C, LEU1099D, LYS1050C, LYS1050D, LYS1102C, LYS1102D, LYS1134C, LYS1134D, LYS1153C, LYS1271C, LYS1271D, LYS880C, LYS880D, LYS913C, LYS913D, PHE1165C, PHE1165D, PHE946C, PHE946D, PRO914C, PRO914D, SER1270C, SER1270D, SER901C, SER901D, SER911C, SER911D, SER912C, SER912D, SER915C, SER915D, THR1057C, THR1057D, THR902C, THR902D, TRP1275D, TYR1059C, TYR1059D, TYR1100C, TYR1100D, TYR1104C, TYR1104D, TYR1105C, TYR1105D, TYR1132C, TYR1132D, TYR1144C, TYR1144D, TYR876C, TYR876D, TYR898C, TYR898D, TYR900C, TYR900D, TYR910C, TYR910D, TYR955C, TYR955D, VAL1052C, VAL1052D, VAL1177C, VAL1177D, VAL1181C, VAL1181D, VAL897C, VAL897D, VAL949C, VAL949D