3IWM

the octameric sars-cov main protease

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 264
  • Norm. En. per Res.: -5.9229
• 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	-126.7568	32.9486	-296.28	-390.0882	109	31	6	10943	0	8	21
A-C	-156.8365	-183.828	-1222.97	-1563.6345	264	115	50	48780	11	46	29
A-D	-6.1319	-15.1946	-15.3216	-36.6481	25	2	0	718	0	6	0
B-C	-2.8649	-18.4864	-18.8586	-40.2099	22	1	0	799	1	6	0
B-D	-134.0564	-154.1235	-1200.09	-1488.2699	258	105	47	47695	10	47	25
C-D	0.0	0.0	-9.2418	-9.2418	11	0	0	653	0	0	1

Interface residues

• A-B: ALA116A, ALA116B, ALA129A, ALA129B, ALA7A, ALA7B, ARG131A, ARG131B, ARG4A, ARG4B, ASN142A, ASN142B, ASN214A, ASN214B, CYS117A, CYS117B, CYS128A, CYS128B, GLN127A, GLN127B, GLU14A, GLU14B, GLU166A, GLU166B, GLY11A, GLY11B, GLY124A, GLY124B, GLY138A, GLY138B, GLY15A, GLY15B, GLY170A, GLY170B, GLY215B, GLY2A, GLY2B, HIS163A, HIS163B, HIS172A, HIS172B, ILE136A, ILE136B, ILE152A, ILE152B, ILE213A, ILE213B, LEU115A, LEU115B, LEU141A, LEU141B, LEU167A, LEU167B, LYS12A, LYS12B, LYS137A, LYS137B, LYS5A, LYS5B, LYS97A, LYS97B, MET6A, MET6B, PHE112A, PHE112B, PHE140A, PHE140B, PHE150A, PHE150B, PHE3A, PHE3B, PHE8A, PHE8B, PRO122A, PRO122B, PRO168A, PRO168B, PRO9A, PRO9B, SER10A, SER10B, SER113A, SER113B, SER121A, SER121B, SER123A, SER123B, SER139A, SER139B, SER144A, SER1A, SER1B, THR111A, THR111B, THR169A, THR169B, TYR118A, TYR118B, TYR126A, TYR126B, TYR154B, VAL114A, VAL114B, VAL125A, VAL125B, VAL13A, VAL13B, VAL171A, VAL171B
• A-C: ALA129A, ALA129C, ALA206A, ALA206C, ALA210A, ALA210C, ALA211A, ALA211C, ALA234A, ALA234C, ALA255A, ALA255C, ALA260A, ALA260C, ALA266A, ALA266C, ALA267A, ALA267C, ALA7A, ALA7C, ARG131A, ARG131C, ARG217A, ARG217C, ARG222A, ARG222C, ARG279A, ARG279C, ARG298A, ARG298C, ARG4A, ARG4C, ASN133C, ASN151A, ASN151C, ASN203A, ASN203C, ASN214A, ASN214C, ASN221A, ASN221C, ASN231A, ASN231C, ASN238A, ASN238C, ASN274A, ASN274C, ASN277A, ASN277C, ASP153A, ASP153C, ASP197A, ASP197C, ASP216A, ASP216C, ASP229A, ASP229C, ASP245A, ASP245C, ASP248A, ASP263A, ASP263C, ASP289A, ASP289C, ASP295A, ASP295C, CYS128A, CYS128C, CYS265A, CYS265C, CYS300A, CYS300C, GLN107C, GLN110A, GLN110C, GLN127A, GLN127C, GLN256A, GLN256C, GLN273A, GLN273C, GLN299A, GLN299C, GLU240A, GLU240C, GLU270A, GLU270C, GLU288A, GLU288C, GLU290A, GLU290C, GLY109A, GLY109C, GLY138A, GLY138C, GLY215A, GLY215C, GLY251A, GLY251C, GLY258A, GLY258C, GLY275A, GLY275C, GLY278A, GLY278C, GLY283A, GLY283C, GLY2A, GLY2C, HIS246A, HIS246C, ILE106A, ILE106C, ILE136A, ILE136C, ILE152A, ILE152C, ILE200A, ILE200C, ILE213A, ILE213C, ILE249A, ILE249C, ILE259A, ILE259C, ILE281A, ILE281C, ILE286A, ILE286C, LEU202A, LEU202C, LEU205A, LEU205C, LEU208A, LEU208C, LEU220A, LEU220C, LEU227A, LEU227C, LEU242A, LEU242C, LEU250A, LEU250C, LEU253A, LEU253C, LEU262A, LEU262C, LEU268A, LEU268C, LEU271A, LEU271C, LEU272A, LEU272C, LEU282A, LEU282C, LEU287A, LEU287C, LYS137A, LYS137C, LYS269A, LYS269C, LYS5A, LYS5C, MET130A, MET130C, MET235A, MET235C, MET264A, MET264C, MET276A, MET276C, MET6A, MET6C, PHE112A, PHE112C, PHE150A, PHE150C, PHE219A, PHE219C, PHE223A, PHE223C, PHE230A, PHE230C, PHE291A, PHE291C, PHE294A, PHE294C, PHE3A, PHE3C, PHE8A, PHE8C, PRO108A, PRO108C, PRO132A, PRO132C, PRO241A, PRO241C, PRO252A, PRO252C, PRO293A, PRO293C, PRO9A, PRO9C, SER113A, SER113C, SER1A, SER1C, SER254A, SER254C, SER284A, SER284C, SER301A, THR111A, THR111C, THR135A, THR196A, THR196C, THR198A, THR198C, THR199A, THR199C, THR201A, THR201C, THR224A, THR224C, THR225A, THR225C, THR226A, THR226C, THR243A, THR243C, THR257A, THR257C, THR280A, THR280C, THR285A, THR285C, THR292A, THR292C, TRP207A, TRP207C, TRP218A, TRP218C, TYR126C, TYR154A, TYR154C, TYR209A, TYR209C, TYR237A, TYR237C, TYR239A, TYR239C, VAL204A, VAL204C, VAL212A, VAL212C, VAL247A, VAL247C, VAL261A, VAL261C, VAL296A, VAL296C, VAL297A, VAL297C
• A-D: ALA116A, ARG298D, ARG4A, ASN142A, CYS300D, GLN256D, GLN299D, GLU288D, GLU290D, GLY124A, GLY138A, GLY283D, LEU141A, LEU282D, LYS137A, PHE140A, PHE291D, PRO122A, SER123A, SER139A, TYR118A, TYR126A, VAL125A, VAL296D, VAL297D
• B-C: ALA116B, ARG298C, ARG4B, CYS300C, GLN299C, GLU290C, GLY124B, GLY138B, GLY283C, LEU141B, LEU282C, LYS137B, PHE140B, PHE291C, PRO122B, SER123B, SER139B, TYR118B, TYR126B, VAL125B, VAL296C, VAL297C
• B-D: ALA129B, ALA129D, ALA206B, ALA206D, ALA210B, ALA210D, ALA211B, ALA211D, ALA234B, ALA234D, ALA255B, ALA255D, ALA260B, ALA260D, ALA266B, ALA266D, ALA267B, ALA267D, ALA7B, ALA7D, ARG131B, ARG131D, ARG217B, ARG217D, ARG222B, ARG222D, ARG279B, ARG279D, ARG298B, ARG298D, ARG4B, ARG4D, ASN133B, ASN133D, ASN151B, ASN151D, ASN203B, ASN203D, ASN214B, ASN214D, ASN221B, ASN221D, ASN231B, ASN231D, ASN238B, ASN238D, ASN274B, ASN274D, ASN277B, ASN277D, ASP153B, ASP153D, ASP197B, ASP197D, ASP216B, ASP216D, ASP245B, ASP245D, ASP248B, ASP248D, ASP263B, ASP263D, ASP289B, ASP289D, ASP295B, ASP295D, CYS128B, CYS128D, CYS265B, CYS265D, CYS300B, CYS300D, GLN107B, GLN107D, GLN110B, GLN110D, GLN127B, GLN127D, GLN256B, GLN256D, GLN273B, GLN299B, GLN299D, GLU240B, GLU240D, GLU270B, GLU270D, GLU288B, GLU288D, GLU290B, GLU290D, GLY109B, GLY109D, GLY138B, GLY215B, GLY215D, GLY251B, GLY251D, GLY258B, GLY258D, GLY275B, GLY275D, GLY278B, GLY278D, GLY283B, GLY283D, GLY2B, GLY2D, HIS246B, HIS246D, ILE106B, ILE106D, ILE136B, ILE136D, ILE152B, ILE152D, ILE200B, ILE200D, ILE213B, ILE213D, ILE249B, ILE249D, ILE259B, ILE259D, ILE281B, ILE281D, ILE286B, ILE286D, LEU202B, LEU202D, LEU205B, LEU205D, LEU208B, LEU208D, LEU220B, LEU220D, LEU242B, LEU242D, LEU250B, LEU250D, LEU253B, LEU253D, LEU262B, LEU262D, LEU268B, LEU268D, LEU271B, LEU271D, LEU272B, LEU272D, LEU282B, LEU282D, LEU287B, LEU287D, LYS137B, LYS137D, LYS269B, LYS269D, LYS5B, LYS5D, MET130B, MET130D, MET235B, MET235D, MET264B, MET264D, MET276B, MET276D, MET6B, MET6D, PHE112B, PHE112D, PHE150D, PHE219B, PHE219D, PHE223B, PHE223D, PHE230B, PHE230D, PHE291B, PHE291D, PHE294B, PHE294D, PHE3B, PHE3D, PHE8B, PHE8D, PRO108B, PRO108D, PRO132B, PRO132D, PRO241B, PRO241D, PRO252B, PRO252D, PRO293B, PRO293D, PRO9B, PRO9D, SER113B, SER113D, SER1B, SER1D, SER254B, SER254D, SER284B, SER284D, SER301B, THR111B, THR111D, THR135B, THR196B, THR196D, THR198B, THR198D, THR199B, THR199D, THR201B, THR201D, THR224B, THR224D, THR225B, THR225D, THR243B, THR243D, THR257B, THR257D, THR280B, THR280D, THR285B, THR285D, THR292B, THR292D, TRP207B, TRP207D, TRP218B, TRP218D, TYR126B, TYR154B, TYR154D, TYR209B, TYR209D, TYR237B, TYR237D, TYR239B, TYR239D, VAL204B, VAL204D, VAL212B, VAL212D, VAL247B, VAL247D, VAL261B, VAL261D, VAL296B, VAL296D, VAL297B, VAL297D
• C-D: GLU288C, GLY283C, GLY283D, ILE286C, ILE286D, SER284C, SER284D, THR280C, THR280D, THR285C, THR285D