1P9S

coronavirus main proteinase (3clpro) structure: basis for design of anti-sars drugs

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 150
  • Norm. En. per Res.: -2.5736
• Hub Node: A(1)

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	-120.2323	19.3602	-285.171	-386.043	150	21	10	11624	1	13	20

Interface residues

• A-B: ALA115A, ALA115B, ALA121A, ALA121B, ALA143A, ALA143B, ALA1A, ALA1B, ALA7A, ALA7B, ARG130A, ARG130B, ARG136A, ARG136B, ARG4A, ARG4B, ASN112A, ASN112B, ASN128A, ASN128B, ASN141A, ASN141B, ASN213A, ASN213B, ASN269A, ASN269B, ASN270A, ASN270B, ASN284A, ASN284B, ASN300A, CYS116A, CYS116B, CYS120A, CYS120B, GLN122A, GLN122B, GLN276A, GLN276B, GLN295A, GLN295B, GLN8A, GLN8B, GLU14A, GLU14B, GLU165A, GLU165B, GLU286A, GLU286B, GLU291A, GLU291B, GLY11A, GLY11B, GLY123A, GLY123B, GLY126A, GLY126B, GLY137A, GLY137B, GLY169A, GLY169B, GLY214B, GLY271A, GLY271B, GLY273A, GLY273B, GLY274A, GLY274B, GLY279A, GLY279B, GLY298A, GLY298B, GLY2A, GLY2B, HIS162A, HIS162B, HIS171A, HIS171B, HIS96A, HIS96B, ILE113A, ILE113B, ILE135A, ILE135B, ILE140A, ILE140B, LEU114A, LEU114B, LEU151A, LEU151B, LEU166A, LEU166B, LEU278A, LEU278B, LEU283A, LEU283B, LEU3A, LEU3B, LYS15A, LYS15B, LYS275B, LYS294A, LYS294B, LYS5A, LYS5B, PHE111A, PHE111B, PHE125A, PHE125B, PHE12A, PHE12B, PHE139A, PHE139B, PHE272A, PHE272B, PHE287A, PHE287B, PHE297A, PHE297B, PRO9A, PRO9B, SER10A, SER10B, SER138A, SER138B, SER168A, SER168B, SER170A, SER170B, SER281A, SER281B, SER282A, SER282B, TYR117A, TYR117B, TYR149A, TYR149B, TYR280A, TYR280B, VAL124A, VAL124B, VAL127A, VAL127B, VAL13A, VAL13B, VAL292B, VAL293A, VAL293B, VAL299A, VAL299B