2BEQ

structure of a proteolytically resistant core from the severe acute respiratory syndrome coronavirus s2 fusion protein

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 27
  • Norm. En. per Res.: -4.7298
• Hub Node: A(5)

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	0.0	0.0	-64.5	-64.5	58	1	8	4058	0	1	1
A-C	0.0	0.0	-66.8515	-66.8515	59	1	8	4137	0	1	1
A-D	-45.7039	-29.2377	-220.25	-295.1916	67	5	9	8542	3	6	7
A-E	0.0	0.0	-0.0868	-0.0868	13	0	0	48	0	0	0
A-F	-53.0921	0.0	-191.265	-244.3571	67	7	13	7857	0	4	3
B-C	0.0	0.0	-68.6208	-68.6208	58	2	9	4230	0	1	1
B-D	-61.6123	0.0	-201.477	-263.0893	67	8	14	8315	0	4	2
B-E	-33.3728	-27.8693	-161.554	-222.7962	66	6	8	7524	2	6	7
B-F	0.0	0.0	-10.3735	-10.3735	23	1	0	429	0	0	2
C-D	0.0	0.0	-0.1583	-0.1583	14	0	0	78	0	0	0
C-E	-58.0949	0.0	-203.87	-261.9649	69	5	14	8346	0	4	4
C-F	-65.5383	-36.4876	-204.951	-306.9769	68	7	10	8291	3	6	6
D-E	0.0	0.0	-4.5715	-4.5715	10	0	1	348	0	0	2
D-F	-13.495	23.6158	-98.4522	-88.3314	35	1	6	3986	0	7	10
E-F	-46.6531	0.0	-81.0526	-127.7057	27	5	8	3366	0	0	5

Interface residues

• A-B: ALA926A, ALA926B, ALA938A, ALA938B, ALA940A, ALA940B, ASN935A, ASN935B, ASN937A, ASN937B, ASN942A, ASN942B, ASP932A, ASP932B, GLN915A, GLN931A, GLN931B, GLN936A, GLN936B, GLN939A, GLN939B, GLN947A, GLU918A, GLY928A, GLY928B, ILE916A, ILE916B, LEU920A, LEU920B, LEU927A, LEU927B, LEU930A, LEU930B, LEU941A, LEU941B, LEU944A, LEU944B, LEU948A, LEU948B, LYS929A, LYS929B, LYS946B, SER919A, SER919B, SER924A, SER924B, SER949B, THR922A, THR923A, THR923B, THR925A, THR943A, VAL933A, VAL933B, VAL934A, VAL934B, VAL945A, VAL945B
• A-C: ALA926A, ALA926C, ALA938A, ALA938C, ALA940A, ALA940C, ASN935A, ASN935C, ASN937A, ASN937C, ASN942A, ASN942C, ASP932A, ASP932C, GLN915C, GLN917A, GLN931A, GLN931C, GLN936A, GLN936C, GLN939A, GLN939C, GLN947C, GLU918C, GLY928A, GLY928C, ILE916A, ILE916C, LEU920A, LEU920C, LEU927A, LEU927C, LEU930A, LEU930C, LEU941A, LEU941C, LEU944A, LEU944C, LEU948A, LEU948C, LYS929A, LYS929C, LYS946A, SER919A, SER919C, SER924A, SER924C, SER949A, THR922C, THR923A, THR923C, THR925C, THR943C, VAL933A, VAL933C, VAL934A, VAL934C, VAL945A, VAL945C
• A-D: ALA1156D, ALA1172D, ALA926A, ALA938A, ALA940A, ARG1167D, ASN1155D, ASN1160D, ASN1169D, ASN1174D, ASN1176D, ASN937A, ASN942A, ASP1150D, ASP1166D, ASP932A, GLN1162D, GLN915A, GLN917A, GLN931A, GLN936A, GLN939A, GLN947A, GLU1164D, GLU1170D, GLU1177D, GLU918A, GLY1149D, GLY1153D, GLY928A, ILE1151D, ILE1154D, ILE1161D, ILE1165D, ILE916A, LEU1148D, LEU1168D, LEU1175D, LEU1179D, LEU920A, LEU927A, LEU930A, LEU941A, LEU944A, LEU948A, LYS1163D, LYS1173D, LYS929A, LYS946A, SER1152D, SER1157D, SER1178D, SER914A, SER919A, SER924A, SER949A, THR921A, THR922A, THR923A, THR925A, THR943A, VAL1158D, VAL1159D, VAL1171D, VAL933A, VAL934A, VAL945A
• A-E: ALA1156E, ILE1151E, ILE1161E, ILE916A, LEU1168E, LEU1175E, LEU1179E, LEU927A, LEU930A, LEU941A, LEU944A, LEU948A, THR923A
• A-F: ALA1156F, ALA1172F, ALA926A, ALA938A, ALA940A, ARG1167F, ASN1155F, ASN1160F, ASN1169F, ASN1174F, ASN1176F, ASN935A, ASN937A, ASN942A, ASP1150F, ASP1166F, ASP932A, GLN1162F, GLN915A, GLN917A, GLN931A, GLN936A, GLN939A, GLN947A, GLU1164F, GLU1170F, GLU1177F, GLU918A, GLY1153F, GLY928A, ILE1151F, ILE1154F, ILE1161F, ILE1165F, ILE916A, LEU1148F, LEU1168F, LEU1175F, LEU1179F, LEU920A, LEU927A, LEU930A, LEU941A, LEU944A, LEU948A, LYS1163F, LYS1173F, LYS929A, LYS946A, SER1152F, SER1157F, SER1178F, SER914A, SER919A, SER924A, SER949A, THR921A, THR922A, THR923A, THR925A, THR943A, VAL1158F, VAL1159F, VAL1171F, VAL933A, VAL934A, VAL945A
• B-C: ALA926B, ALA926C, ALA938B, ALA938C, ALA940B, ALA940C, ASN935B, ASN935C, ASN937B, ASN937C, ASN942B, ASN942C, ASP932B, ASP932C, GLN915B, GLN917B, GLN917C, GLN931B, GLN931C, GLN936B, GLN939B, GLN939C, GLU918B, GLY928B, GLY928C, ILE916B, ILE916C, LEU920B, LEU920C, LEU927B, LEU927C, LEU930B, LEU930C, LEU941B, LEU941C, LEU944B, LEU944C, LEU948B, LEU948C, LYS929B, LYS929C, LYS946C, SER919B, SER919C, SER924B, SER924C, SER949C, THR922B, THR923B, THR923C, THR925B, THR943B, VAL933B, VAL933C, VAL934B, VAL934C, VAL945B, VAL945C
• B-D: ALA1156D, ALA1172D, ALA926B, ALA938B, ALA940B, ARG1167D, ASN1155D, ASN1160D, ASN1169D, ASN1174D, ASN1176D, ASN935B, ASN937B, ASN942B, ASP1150D, ASP1166D, ASP932B, GLN1162D, GLN915B, GLN917B, GLN931B, GLN936B, GLN939B, GLN947B, GLU1164D, GLU1170D, GLU918B, GLY1149D, GLY1153D, GLY928B, ILE1151D, ILE1154D, ILE1161D, ILE1165D, ILE916B, LEU1148D, LEU1168D, LEU1175D, LEU1179D, LEU920B, LEU927B, LEU930B, LEU941B, LEU944B, LEU948B, LYS1163D, LYS1173D, LYS929B, LYS946B, SER1152D, SER1157D, SER1178D, SER914B, SER919B, SER924B, SER949B, THR921B, THR922B, THR923B, THR925B, THR943B, VAL1158D, VAL1159D, VAL1171D, VAL933B, VAL934B, VAL945B
• B-E: ALA1156E, ALA1172E, ALA926B, ALA938B, ALA940B, ARG1167E, ASN1155E, ASN1160E, ASN1169E, ASN1174E, ASN1176E, ASN935B, ASN937B, ASN942B, ASP1150E, ASP1166E, ASP932B, GLN1162E, GLN915B, GLN917B, GLN931B, GLN936B, GLN939B, GLN947B, GLU1164E, GLU1170E, GLU1177E, GLU918B, GLY1149E, GLY1153E, GLY928B, ILE1151E, ILE1154E, ILE1161E, ILE1165E, ILE916B, LEU1168E, LEU1175E, LEU1179E, LEU920B, LEU927B, LEU930B, LEU941B, LEU944B, LEU948B, LYS1163E, LYS929B, LYS946B, SER1152E, SER1157E, SER1178E, SER914B, SER919B, SER924B, SER949B, THR921B, THR922B, THR923B, THR925B, THR943B, VAL1158E, VAL1159E, VAL1171E, VAL933B, VAL934B, VAL945B
• B-F: ALA1156F, ASP1181F, GLN1183F, GLN915B, GLN917B, GLU1184F, ILE1151F, ILE1161F, ILE1180F, ILE916B, LEU1148F, LEU1168F, LEU1175F, LEU1179F, LEU1182F, LEU927B, LEU930B, LEU941B, LEU948B, LYS1187F, SER914B, THR923B, VAL1159F
• C-D: ALA1156D, ILE1151D, ILE1161D, ILE916C, LEU1148D, LEU1168D, LEU1175D, LEU1179D, LEU927C, LEU930C, LEU941C, LEU948C, SER1178D, THR923C
• C-E: ALA1156E, ALA1172E, ALA926C, ALA938C, ALA940C, ARG1167E, ASN1155E, ASN1160E, ASN1169E, ASN1174E, ASN1176E, ASN935C, ASN937C, ASN942C, ASP1150E, ASP1166E, ASP1181E, ASP932C, GLN1162E, GLN915C, GLN917C, GLN931C, GLN936C, GLN939C, GLN947C, GLU1164E, GLU1170E, GLU1177E, GLU1184E, GLU918C, GLY1149E, GLY1153E, GLY928C, ILE1151E, ILE1154E, ILE1161E, ILE1165E, ILE1180E, ILE916C, LEU1168E, LEU1175E, LEU1179E, LEU920C, LEU927C, LEU930C, LEU941C, LEU944C, LEU948C, LYS1163E, LYS1173E, LYS929C, LYS946C, SER1152E, SER1157E, SER914C, SER919C, SER924C, SER949C, THR921C, THR922C, THR923C, THR925C, THR943C, VAL1158E, VAL1159E, VAL1171E, VAL933C, VAL934C, VAL945C
• C-F: ALA1156F, ALA1172F, ALA926C, ALA938C, ALA940C, ARG1167F, ASN1155F, ASN1160F, ASN1169F, ASN1174F, ASN1176F, ASN935C, ASN937C, ASN942C, ASP1150F, ASP1166F, ASP932C, GLN1162F, GLN915C, GLN917C, GLN931C, GLN936C, GLN939C, GLN947C, GLU1164F, GLU1170F, GLU1177F, GLU918C, GLY1149F, GLY1153F, GLY928C, ILE1151F, ILE1154F, ILE1161F, ILE1165F, ILE916C, LEU1148F, LEU1168F, LEU1175F, LEU1179F, LEU920C, LEU927C, LEU930C, LEU941C, LEU944C, LEU948C, LYS1163F, LYS1173F, LYS929C, LYS946C, SER1152F, SER1157F, SER1178F, SER914C, SER919C, SER924C, SER949C, THR921C, THR922C, THR923C, THR925C, THR943C, VAL1158F, VAL1159F, VAL1171F, VAL933C, VAL934C, VAL945C
• D-E: ASP1181E, GLN1183E, GLU1184D, ILE1180D, ILE1180E, LEU1175D, LEU1179D, LEU1179E, LEU1182E, LEU1185D
• D-F: ASN1176D, ASP1181D, ASP1181F, GLN1183D, GLN1183F, GLN1190F, GLU1177D, GLU1177F, GLU1184D, GLU1184F, GLU1189D, GLU1189F, GLY1186D, GLY1186F, ILE1151F, ILE1180D, ILE1180F, ILE1192F, LEU1148D, LEU1148F, LEU1175D, LEU1175F, LEU1179D, LEU1179F, LEU1182D, LEU1182F, LEU1185D, LEU1185F, LYS1187D, LYS1187F, SER1178D, SER1178F, TYR1188D, TYR1188F, TYR1191F
• E-F: ASN1176E, ASN1176F, ASP1181E, ASP1181F, GLN1183E, GLN1183F, GLU1177E, GLU1177F, GLU1184E, GLU1184F, GLY1149E, GLY1186E, ILE1151E, ILE1180E, ILE1180F, LEU1148F, LEU1175E, LEU1175F, LEU1179E, LEU1179F, LEU1182E, LEU1182F, LEU1185E, LEU1185F, LYS1187E, SER1178E, SER1178F