1WNC

crystal structure of the sars-cov spike protein fusion core

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 107
  • Norm. En. per Res.: -2.4694
• Hub Node: B(4)

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	-10.2727	-31.3227	-201.664	-243.2594	112	23	19	12438	2	11	9
A-C	-11.6196	-19.9199	-232.681	-264.2205	107	22	20	11885	1	7	8
A-F	0.0	0.0	-0.6602	-0.6602	6	0	0	68	0	1	2
B-C	-35.3433	-32.7533	-193.825	-261.9216	111	38	19	11981	2	12	8
B-D	0.0	0.0	-0.0059	-0.0059	4	0	0	5	0	0	0
B-E	0.0	0.0	-0.7566	-0.7566	8	0	0	118	0	1	2
B-F	-12.9476	-22.1495	-74.5142	-109.6113	54	15	3	4092	2	2	2
D-E	-6.0278	-20.1205	-208.379	-234.5273	107	31	14	11646	1	8	9
D-F	-10.2729	-33.4003	-227.954	-271.6272	110	47	19	12659	2	10	10
E-F	-12.9608	-18.4107	-189.955	-221.3264	107	35	19	10919	0	8	7

Interface residues

• A-B: ALA1155B, ALA1171B, ALA906A, ALA906B, ALA912A, ALA912B, ALA926A, ALA926B, ALA938A, ALA938B, ALA940A, ALA940B, ARG1166B, ASN1154B, ASN1159B, ASN1168B, ASN1173B, ASN1175B, ASN907A, ASN910A, ASN910B, ASN935A, ASN935B, ASN937A, ASN937B, ASN942A, ASN942B, ASP1165B, ASP1180B, ASP932A, ASP932B, GLN1161B, GLN902A, GLN902B, GLN904A, GLN908A, GLN915A, GLN917A, GLN917B, GLN931A, GLN931B, GLN936A, GLN936B, GLN939A, GLN939B, GLN947A, GLU1162B, GLU1163B, GLU1169B, GLU1176B, GLU1183B, GLU918A, GLY1152B, GLY928A, GLY928B, ILE1150B, ILE1153B, ILE1160A, ILE1160B, ILE1164B, ILE1179B, ILE905A, ILE905B, ILE913A, ILE913B, ILE916A, ILE916B, LEU1167B, LEU1174B, LEU1178B, LEU1181B, LEU1184B, LEU920A, LEU920B, LEU927A, LEU927B, LEU930A, LEU930B, LEU941A, LEU941B, LEU944A, LEU944B, LYS1172B, LYS911A, LYS929A, LYS929B, LYS946A, PHE909A, PHE909B, SER1151B, SER1156B, SER1177B, SER914A, SER919A, SER919B, SER924A, SER924B, THR921A, THR922A, THR923A, THR923B, THR925A, THR943A, VAL1157B, VAL1158B, VAL1170B, VAL933A, VAL933B, VAL934A, VAL934B, VAL945A, VAL945B
• A-C: ALA1155A, ALA1155C, ALA1171A, ALA906A, ALA906C, ALA912A, ALA912C, ALA926A, ALA926C, ALA938A, ALA938C, ALA940A, ALA940C, ARG1166A, ASN1154A, ASN1159A, ASN1168A, ASN1173A, ASN1175A, ASN907C, ASN910A, ASN910C, ASN935A, ASN935C, ASN937A, ASN937C, ASN942A, ASN942C, ASP1165A, ASP932A, ASP932C, GLN1161A, GLN902A, GLN902C, GLN908C, GLN915C, GLN917A, GLN917C, GLN931A, GLN931C, GLN936A, GLN936C, GLN939A, GLN939C, GLN947C, GLU1162A, GLU1163A, GLU1169A, GLU918C, GLY928A, GLY928C, ILE1153A, ILE1160A, ILE1160C, ILE1164A, ILE905A, ILE905C, ILE913A, ILE913C, ILE916A, ILE916C, LEU1167A, LEU1167C, LEU1174A, LEU1174C, LEU920A, LEU920C, LEU927A, LEU927C, LEU930A, LEU930C, LEU941A, LEU941C, LEU944A, LEU944C, LYS1172A, LYS911C, LYS929A, LYS929C, LYS946A, LYS946C, PHE909A, PHE909C, SER1156A, SER914C, SER919A, SER919C, SER924A, SER924C, THR921A, THR921C, THR922C, THR923A, THR923C, THR925C, THR943A, THR943C, VAL1157A, VAL1158A, VAL1158C, VAL1170A, VAL933A, VAL933C, VAL934A, VAL934C, VAL945A, VAL945C
• A-F: ASN1159F, GLN1161F, GLN936A, LYS929A, VAL1157F, VAL933A
• B-C: ALA1155B, ALA1155C, ALA1171C, ALA906B, ALA906C, ALA912B, ALA912C, ALA926B, ALA926C, ALA938B, ALA938C, ALA940B, ARG1166C, ASN1154C, ASN1159C, ASN1168C, ASN1173C, ASN1175C, ASN907B, ASN910B, ASN910C, ASN935B, ASN935C, ASN937B, ASN937C, ASN942B, ASN942C, ASP1165C, ASP1180C, ASP932B, ASP932C, GLN1161C, GLN1182C, GLN902B, GLN902C, GLN904B, GLN908B, GLN915B, GLN917B, GLN917C, GLN931B, GLN931C, GLN936B, GLN936C, GLN939B, GLN939C, GLN947B, GLN947C, GLU1162C, GLU1163C, GLU1169C, GLU1176C, GLU1183C, GLU918B, GLY928B, GLY928C, ILE1153C, ILE1160C, ILE1164C, ILE1179B, ILE1179C, ILE905B, ILE905C, ILE913B, ILE913C, ILE916B, ILE916C, LEU1167B, LEU1167C, LEU1174C, LEU1178C, LEU1181C, LEU1184B, LEU920B, LEU920C, LEU927B, LEU927C, LEU930B, LEU930C, LEU941B, LEU941C, LEU944B, LEU944C, LYS1172C, LYS911B, LYS929B, LYS946C, PHE909B, PHE909C, SER1156C, SER1177C, SER914B, SER919B, SER924B, SER924C, THR921B, THR922B, THR923B, THR923C, THR925B, THR943B, VAL1157C, VAL1158B, VAL1158C, VAL1170C, VAL933B, VAL933C, VAL934B, VAL934C, VAL945B, VAL945C
• B-D: GLN939B, LYS946B, SER1156D, VAL1157D
• B-E: ASN1159B, ASP1165B, GLN1161B, GLN931B, GLN936E, GLU1162B, VAL1157B, VAL933E
• B-F: ALA1155B, ALA1155F, ALA938B, ALA938F, ALA940F, ASN1154B, ASN1154F, ASN1159B, ASN1159F, ASN1168F, ASN935B, ASN935F, ASN937F, ASN942B, ASN942F, ASP1165B, ASP1165F, ASP932B, ASP932F, GLN1161B, GLN1161F, GLN931B, GLN931F, GLN936B, GLN936F, GLN939B, GLN939F, GLN947F, GLU1162B, GLU1162F, GLY1152B, GLY928B, GLY928F, ILE1160B, ILE1160F, ILE1164B, ILE1164F, LYS929B, LYS929F, LYS946B, LYS946F, SER1151B, SER1156B, SER1156F, THR943B, THR943F, VAL1157B, VAL1157F, VAL1158B, VAL1158F, VAL933B, VAL933F, VAL934B, VAL934F
• D-E: ALA1155D, ALA1155E, ALA1171E, ALA906D, ALA906E, ALA912D, ALA912E, ALA926D, ALA926E, ALA938D, ALA938E, ALA940D, ALA940E, ARG1166E, ASN1154E, ASN1159E, ASN1168E, ASN1173E, ASN1175E, ASN901D, ASN901E, ASN907D, ASN910D, ASN910E, ASN935D, ASN935E, ASN937D, ASN937E, ASN942D, ASN942E, ASP1165E, ASP932D, ASP932E, GLN1161E, GLN902D, GLN902E, GLN904D, GLN908D, GLN915D, GLN917D, GLN917E, GLN931D, GLN931E, GLN936D, GLN936E, GLN939D, GLN939E, GLN947D, GLU1162E, GLU1163E, GLU1169E, GLU1176E, GLU918D, GLY928D, GLY928E, ILE1153E, ILE1160E, ILE1164E, ILE905D, ILE905E, ILE913D, ILE913E, ILE916D, ILE916E, LEU1167D, LEU1167E, LEU1174E, LEU1178E, LEU920D, LEU920E, LEU927D, LEU927E, LEU930D, LEU930E, LEU941D, LEU941E, LEU944D, LEU944E, LEU948E, LYS903D, LYS903E, LYS911D, LYS929D, PHE909D, PHE909E, SER1156E, SER1177E, SER914D, SER919D, SER919E, SER924D, SER924E, THR921D, THR922D, THR923D, THR923E, THR925D, THR943D, VAL1157E, VAL1158E, VAL1170E, VAL933D, VAL933E, VAL934D, VAL934E, VAL945D, VAL945E
• D-F: ALA1155D, ALA1171D, ALA906D, ALA906F, ALA912D, ALA912F, ALA926D, ALA926F, ALA938D, ALA938F, ALA940F, ARG1166D, ASN1154D, ASN1159D, ASN1168D, ASN1173D, ASN1175D, ASN901D, ASN901F, ASN907F, ASN910D, ASN910F, ASN935D, ASN935F, ASN937D, ASN937F, ASN942D, ASN942F, ASP1165D, ASP1180D, ASP932D, ASP932F, GLN1161D, GLN902D, GLN902F, GLN904F, GLN908F, GLN915F, GLN917D, GLN917F, GLN931D, GLN931F, GLN936D, GLN936F, GLN939D, GLN939F, GLN947D, GLN947F, GLU1162D, GLU1163D, GLU1169D, GLU1176D, GLU918F, GLY1152D, GLY928D, GLY928F, ILE1153D, ILE1160D, ILE1164D, ILE1179D, ILE905D, ILE905F, ILE913D, ILE913F, ILE916D, ILE916F, LEU1167D, LEU1167F, LEU1174D, LEU1178D, LEU1181D, LEU920D, LEU920F, LEU927D, LEU927F, LEU930D, LEU930F, LEU941D, LEU941F, LEU944D, LEU944F, LYS1172D, LYS911F, LYS929D, LYS929F, LYS946D, PHE909D, PHE909F, SER1156D, SER1177D, SER914F, SER919D, SER919F, SER924D, SER924F, THR921F, THR922F, THR923D, THR923F, THR925F, THR943F, VAL1157D, VAL1158D, VAL1170D, VAL933D, VAL933F, VAL934D, VAL934F, VAL945D, VAL945F
• E-F: ALA1155F, ALA1171F, ALA906F, ALA912E, ALA912F, ALA926E, ALA926F, ALA938E, ALA938F, ALA940E, ALA940F, ARG1166F, ASN1154F, ASN1159F, ASN1168F, ASN1173F, ASN1175F, ASN901E, ASN907E, ASN910E, ASN910F, ASN935E, ASN935F, ASN937E, ASN937F, ASN942E, ASN942F, ASP1165F, ASP1180F, ASP932E, ASP932F, GLN902E, GLN902F, GLN904E, GLN908E, GLN915E, GLN917E, GLN917F, GLN931E, GLN931F, GLN936E, GLN936F, GLN939E, GLN939F, GLU1162F, GLU1163F, GLU1169F, GLU1176F, GLU918E, GLY928E, GLY928F, ILE1160E, ILE1160F, ILE1164F, ILE1179F, ILE905E, ILE905F, ILE913E, ILE913F, ILE916E, ILE916F, LEU1167E, LEU1167F, LEU1174F, LEU1178F, LEU1181F, LEU920E, LEU920F, LEU927E, LEU927F, LEU930E, LEU930F, LEU941E, LEU941F, LEU944E, LEU944F, LEU948E, LYS1172F, LYS911E, LYS929E, LYS929F, LYS946F, PHE909E, PHE909F, SER1156F, SER1177F, SER914E, SER919E, SER919F, SER924E, SER924F, THR921E, THR922E, THR923E, THR923F, THR925E, THR943E, VAL1157F, VAL1158E, VAL1158F, VAL1170F, VAL933E, VAL933F, VAL934E, VAL934F, VAL945E, VAL945F