1URQ

crystal structure of neuronal q-snares in complex with r-snare motif of tomosyn

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 123
  • Norm. En. per Res.: -4.3018
• 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	-13.9713	-31.4697	-373.853	-419.294	121	3	19	14956	2	34	38
A-C	0.0	0.0	-41.9729	-41.9729	53	0	0	2227	0	6	4
A-D	-35.8452	-73.5741	-290.112	-399.5312	106	10	22	11866	5	38	36
B-C	-35.5543	-64.4655	-382.751	-482.7707	130	11	15	15344	5	49	66
B-D	0.0	0.0	-38.8131	-38.8131	57	0	1	2616	0	9	7
C-D	-71.6605	-86.7027	-370.76	-529.1232	123	11	11	14843	7	37	47

Interface residues

• A-B: ALA1058A, ALA1059A, ALA1067A, ALA1069A, ALA1072A, ALA1088A, ALA1089A, ALA1094A, ALA1101A, ALA220B, ALA240B, ALA247B, ALA254B, ARG1068A, ARG1070A, ARG1076A, ARG1086A, ARG198B, ARG210B, ARG232B, ARG246B, ASN207B, ASN236B, ASP1074A, ASP1082A, ASP1095A, ASP214B, ASP218B, ASP231B, ASP242B, ASP250B, GLN1078A, GLN226B, GLN258B, GLU1053A, GLU1065A, GLU1075A, GLU1084A, GLU1085A, GLU1103A, GLU201B, GLU206B, GLU211B, GLU224B, GLU228B, GLU234B, GLU238B, GLU245B, GLY1051A, GLY1054A, GLY1057A, GLY1061A, GLY1064A, GLY1077A, GLY227B, HIS1100A, HIS1102A, HIS199B, HIS213B, HIS239B, ILE1052A, ILE202B, ILE203B, ILE209B, ILE230B, ILE233B, LEU1066A, LEU1071A, LEU1073A, LEU1080A, LEU1083A, LEU1106A, LEU205B, LEU212B, LEU222B, LYS1056A, LYS1079A, LYS1099A, LYS1107A, LYS204B, LYS252B, LYS253B, LYS256B, MET1090A, MET1091A, MET1104A, MET1105A, MET215B, MET217B, MET219B, MET221B, MET229B, PHE1097A, PHE216B, SER1060A, SER1081A, SER1092A, SER1093A, SER1096A, SER1098A, SER200B, SER208B, SER225B, SER249B, SER259B, THR1087A, THR197B, THR251B, TYR1108A, TYR235B, TYR243B, TYR257B, VAL1055A, VAL1062A, VAL1063A, VAL223B, VAL237B, VAL241B, VAL244B, VAL248B, VAL255B
• A-C: ALA1059A, ALA1069A, ALA1088A, ALA1094A, ALA1101A, ALA74C, ARG1076A, ARG1086A, ASN77C, ASP51C, ASP70C, GLN53C, GLN56C, GLU52C, GLU61C, GLU73C, GLU75C, GLY43C, GLY54C, GLY63C, HIS1100A, ILE1052A, ILE67C, LEU1066A, LEU1073A, LEU1080A, LEU1083A, LEU50C, LEU57C, LEU78C, LEU81C, LYS1056A, LYS1107A, LYS83C, MET1090A, MET1091A, MET1104A, MET1105A, MET32C, MET49C, MET64C, MET71C, PHE1097A, SER25C, SER39C, THR1087A, THR29C, THR46C, TYR1108A, VAL1055A, VAL1062A, VAL36C, VAL60C
• A-D: ALA1058A, ALA1059A, ALA1067A, ALA1069A, ALA1072A, ALA1088A, ALA1089A, ALA1094A, ALA1101A, ALA163D, ALA184D, ALA194D, ALA198D, ARG1068A, ARG1070A, ARG1076A, ARG1086A, ARG160D, ARG175D, ARG179D, ARG190D, ARG197D, ASN148D, ASN158D, ASN168D, ASN174D, ASN187D, ASN195D, ASP1074A, ASP1082A, ASP1095A, ASP146D, ASP165D, ASP171D, ASP178D, ASP185D, ASP192D, GLN1078A, GLN173D, GLN176D, GLN196D, GLU1065A, GLU1075A, GLU1084A, GLU1085A, GLU1103A, GLU150D, GLU169D, GLU182D, GLU193D, GLY1051A, GLY1054A, GLY1057A, GLY1061A, GLY1064A, GLY1077A, GLY154D, GLY157D, GLY167D, HIS1100A, HIS1102A, HIS161D, ILE1052A, ILE155D, ILE156D, ILE170D, ILE177D, ILE180D, ILE191D, LEU1066A, LEU1071A, LEU1073A, LEU1080A, LEU1083A, LEU149D, LEU159D, LEU164D, LYS1056A, LYS1079A, LYS1099A, LYS183D, LYS188D, MET1090A, MET1091A, MET1104A, MET145D, MET162D, MET166D, MET181D, PHE1097A, SER1060A, SER1081A, SER1092A, SER1093A, SER1096A, SER1098A, SER153D, SER186D, THR1087A, THR172D, THR189D, THR199D, VAL1055A, VAL1062A, VAL1063A, VAL152D
• B-C: ALA18C, ALA220B, ALA22C, ALA240B, ALA247B, ALA254B, ALA42C, ALA74C, ARG17C, ARG198B, ARG210B, ARG232B, ARG246B, ARG30C, ARG31C, ARG45C, ARG59C, ASN207B, ASN236B, ASN65C, ASN68C, ASN77C, ASP214B, ASP218B, ASP231B, ASP23C, ASP242B, ASP250B, ASP41C, ASP51C, ASP58C, ASP70C, ASP80C, GLN20C, GLN226B, GLN258B, GLN34C, GLN53C, GLN56C, GLN69C, GLU196B, GLU201B, GLU206B, GLU211B, GLU224B, GLU228B, GLU234B, GLU238B, GLU245B, GLU24C, GLU27C, GLU37C, GLU38C, GLU52C, GLU55C, GLU61C, GLU62C, GLU73C, GLU75C, GLY227B, GLY43C, GLY54C, GLY63C, GLY82C, HIS199B, HIS213B, HIS239B, HIS66C, ILE202B, ILE203B, ILE209B, ILE230B, ILE233B, ILE44C, ILE67C, LEU205B, LEU212B, LEU21C, LEU222B, LEU26C, LEU33C, LEU35C, LEU47C, LEU50C, LEU57C, LEU78C, LEU81C, LYS204B, LYS252B, LYS253B, LYS256B, LYS40C, LYS72C, LYS76C, LYS79C, LYS83C, MET215B, MET217B, MET219B, MET221B, MET229B, MET32C, MET49C, MET64C, MET71C, PHE216B, SER200B, SER208B, SER225B, SER249B, SER259B, SER25C, SER28C, SER39C, THR197B, THR251B, THR29C, THR46C, TYR235B, TYR243B, TYR257B, VAL223B, VAL237B, VAL241B, VAL244B, VAL248B, VAL255B, VAL36C, VAL48C, VAL60C
• B-D: ALA163D, ALA184D, ALA194D, ALA198D, ALA220B, ALA240B, ALA247B, ARG160D, ARG190D, ARG198B, ASN148D, ASN158D, ASN174D, ASN187D, ASN195D, ASP146D, GLN173D, GLN226B, GLU142D, GLU206B, GLY157D, GLY167D, HIS161D, HIS199B, HIS213B, ILE155D, ILE156D, ILE170D, ILE177D, ILE180D, ILE191D, ILE202B, ILE209B, ILE230B, ILE233B, LEU149D, LEU159D, LEU164D, LEU205B, LEU212B, LYS188D, MET145D, MET162D, MET166D, MET181D, MET215B, MET219B, PHE216B, SER153D, SER208B, THR251B, TYR243B, VAL152D, VAL223B, VAL237B, VAL241B, VAL244B
• C-D: ALA163D, ALA184D, ALA18C, ALA194D, ALA198D, ALA22C, ALA42C, ALA74C, ARG141D, ARG179D, ARG190D, ARG197D, ARG30C, ARG31C, ARG45C, ARG59C, ASN143D, ASN148D, ASN158D, ASN168D, ASN174D, ASN187D, ASN195D, ASN65C, ASN68C, ASN77C, ASP146D, ASP165D, ASP171D, ASP178D, ASP185D, ASP192D, ASP19C, ASP23C, ASP41C, ASP51C, ASP58C, ASP70C, ASP80C, GLN151D, GLN173D, GLN176D, GLN196D, GLN34C, GLN53C, GLN56C, GLN69C, GLU142D, GLU144D, GLU147D, GLU150D, GLU169D, GLU182D, GLU193D, GLU24C, GLU27C, GLU37C, GLU38C, GLU52C, GLU55C, GLU61C, GLU62C, GLU73C, GLU75C, GLY154D, GLY157D, GLY167D, GLY43C, GLY54C, GLY63C, GLY82C, HIS161D, HIS66C, ILE155D, ILE156D, ILE170D, ILE177D, ILE180D, ILE191D, ILE44C, ILE67C, LEU149D, LEU159D, LEU164D, LEU21C, LEU26C, LEU33C, LEU35C, LEU47C, LEU50C, LEU57C, LEU78C, LEU81C, LYS183D, LYS188D, LYS40C, LYS72C, LYS76C, LYS79C, LYS83C, MET145D, MET162D, MET166D, MET181D, MET32C, MET49C, MET64C, MET71C, SER140D, SER153D, SER186D, SER25C, SER28C, SER39C, THR172D, THR189D, THR199D, THR29C, THR46C, VAL152D, VAL36C, VAL48C, VAL60C