3I6K

newly identified epitope from sars-cov membrane protein complexed with hla-a*0201

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -4.4456
• 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	-50.364	-140.3901	-364.952	-555.7061	125	17	2	12905	7	45	43
A-C	-32.2673	0.0	-269.891	-302.1583	87	14	8	9719	0	0	0
A-E	-6.0976	-64.0151	-115.034	-185.1467	66	3	0	4836	5	25	38
E-F	-50.5984	-86.2822	-339.812	-476.6926	124	15	2	12417	4	40	39
E-G	-26.7554	0.0	-270.766	-297.5215	85	10	8	9441	0	0	0

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS203A, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU229A, GLU232A, GLU36B, GLU46A, GLU50B, GLY120A, GLY237A, GLY239A, GLY26A, GLY29B, HIS114A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET0B, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PHE9A, PRO14B, PRO235A, PRO32B, SER11A, SER11B, SER13A, SER207A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR67B, TYR7A, TYR99A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL95A, VAL9B
• A-C: ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA2C, ALA69A, ALA7C, ALA8C, ARG157A, ARG170A, ARG35A, ARG65A, ARG6A, ARG82A, ARG97A, ASP77A, CYS164A, CYS3C, GLN155A, GLN72A, GLU154A, GLU166A, GLU55A, GLU63A, GLY100A, GLY26A, GLY62A, GLY79A, HIS114A, HIS151A, HIS70A, HIS74A, ILE124A, ILE52A, LEU126A, LEU156A, LEU160A, LEU168A, LEU1C, LEU6C, LEU78A, LEU81A, LYS144A, LYS146A, LYS66A, LYS68A, MET45A, MET5A, PHE22A, PHE33A, PHE36A, PHE4C, PHE8A, PHE9A, SER71A, THR0C, THR142A, THR143A, THR163A, THR64A, THR73A, THR80A, TRP133A, TRP147A, TRP167A, TRP60A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, VAL152A, VAL25A, VAL28A, VAL34A, VAL5C, VAL67A, VAL76A, VAL95A, VAL9C
• A-E: ARG108A, ARG108E, ARG169A, ARG169E, ASP106A, ASP106E, ASP223A, ASP223E, GLN180A, GLN180E, GLN218A, GLN218E, GLN224A, GLN224E, GLN262A, GLN262E, GLU173A, GLU173E, GLU222A, GLU222E, GLU264A, GLU264E, GLY104A, GLY104E, GLY1A, GLY1E, GLY221A, GLY221E, HIS260A, HIS260E, HIS263A, HIS263E, HIS3A, HIS3E, LEU172A, LEU172E, LEU266A, LEU266E, LEU270A, LEU270E, LYS176A, LYS176E, LYS268A, LYS268E, PHE109A, PHE109E, PRO267A, PRO267E, PRO269A, PRO269E, SER105A, SER105E, THR214A, THR214E, THR216A, THR216E, THR271A, THR271E, TRP107A, TRP107E, TRP217A, TRP217E, VAL103A, VAL103E, VAL261A, VAL261E
• E-F: ALA117E, ALA125E, ALA236E, ALA246E, ALA24E, ARG12F, ARG14E, ARG17E, ARG202E, ARG21E, ARG234E, ARG35E, ARG3F, ARG48E, ARG6E, ARG97E, ARG97F, ASN24F, ASP119E, ASP122E, ASP238E, ASP30E, ASP34F, ASP37E, ASP53F, ASP59F, ASP96F, ASP98F, CYS203E, CYS25F, GLN115E, GLN242E, GLN2F, GLN32E, GLN87E, GLN8F, GLN96E, GLU232E, GLU46E, GLU50F, GLY120E, GLY237E, GLY239E, GLY26E, GLY29F, GLY91E, HIS114E, HIS13F, HIS188E, HIS191E, HIS192E, HIS31F, HIS51F, HIS93E, ILE124E, ILE1F, ILE23E, ILE7F, LEU206E, LEU230E, LEU54F, LEU64F, LEU65F, LYS121E, LYS186E, LYS243E, LYS58F, LYS6F, MET0F, MET189E, MET98E, MET99F, PHE22E, PHE22F, PHE241E, PHE30F, PHE36E, PHE56F, PHE62F, PHE8E, PHE9E, PRO14F, PRO235E, PRO32F, PRO47E, SER11E, SER11F, SER207E, SER28F, SER33F, SER52F, SER55F, SER57F, SER61F, SER92E, THR10E, THR190E, THR200E, THR233E, THR240E, THR94E, TRP204E, TRP244E, TRP60F, TRP95F, TYR10F, TYR116E, TYR118E, TYR123E, TYR26F, TYR27E, TYR63F, TYR66F, TYR67F, TYR7E, TYR85E, TYR99E, VAL12E, VAL231E, VAL25E, VAL27F, VAL34E, VAL95E, VAL9F
• E-G: ALA139E, ALA140E, ALA150E, ALA153E, ALA158E, ALA24E, ALA2G, ALA69E, ALA7G, ALA8G, ARG157E, ARG170E, ARG65E, ARG6E, ARG82E, ARG97E, ASP77E, CYS164E, CYS3G, GLN155E, GLN72E, GLU154E, GLU166E, GLU55E, GLU63E, GLY100E, GLY26E, GLY62E, GLY79E, HIS114E, HIS151E, HIS70E, HIS74E, ILE124E, ILE52E, LEU126E, LEU156E, LEU160E, LEU168E, LEU1G, LEU6G, LEU78E, LEU81E, LYS144E, LYS146E, LYS66E, LYS68E, MET45E, MET5E, PHE22E, PHE33E, PHE36E, PHE4G, PHE8E, PHE9E, SER71E, THR0G, THR142E, THR143E, THR163E, THR64E, THR73E, THR80E, TRP133E, TRP147E, TRP167E, TYR116E, TYR118E, TYR123E, TYR159E, TYR171E, TYR59E, TYR7E, TYR84E, TYR85E, TYR99E, VAL152E, VAL25E, VAL28E, VAL34E, VAL5G, VAL67E, VAL76E, VAL95E, VAL9G