2OKE

high resolution crystal structures of vaccinia virus dutpase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -4.7688
• Hub Node: A(2)

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	-110.0471	-26.7426	-406.859	-543.6487	114	20	14	15579	5	21	16
A-C	-94.7727	-57.1546	-403.501	-555.4283	117	20	14	15519	7	20	16
B-C	-108.8559	-34.4616	-401.897	-545.2144	116	18	14	15222	6	22	16

Interface residues

• A-B: ALA19A, ALA29A, ALA30A, ALA67A, ALA67B, ARG119A, ARG119B, ARG11A, ARG24A, ARG47B, ARG65A, ARG65B, ARG69A, ARG89A, ARG89B, ASN17A, ASN98A, ASN99A, ASN99B, ASP33A, ASP78A, ASP78B, ASP85B, ASP87B, CYS62A, CYS62B, GLN114A, GLN118A, GLN118B, GLN129B, GLN25A, GLN48B, GLU124B, GLU126B, GLU127B, GLU15A, GLU46B, GLU86B, GLY100A, GLY28A, GLY31A, GLY45B, GLY64B, GLY71A, GLY76A, GLY80B, GLY81B, GLY82B, GLY90A, GLY93B, ILE116A, ILE120A, ILE120B, ILE50B, ILE54A, ILE66A, ILE66B, ILE77A, ILE79A, ILE79B, ILE84B, ILE92A, ILE95B, ILE97A, ILE97B, LEU115A, LEU125B, LEU131B, LEU34A, LEU49B, LEU72A, LEU74A, LEU96B, LYS101A, LYS14A, LYS60A, LYS60B, LYS75A, MET56A, MET58A, MET58B, PHE12A, PHE61A, PHE61B, PRO123B, PRO22A, PRO27A, PRO43B, PRO44B, PRO59A, PRO68A, PRO9A, SER130B, SER21A, SER26A, SER55A, SER57A, SER70A, SER73A, THR23A, TYR117A, TYR121A, TYR121B, TYR122B, TYR32A, TYR63A, TYR63B, TYR88A, TYR88B, VAL10A, VAL128B, VAL13A, VAL83B, VAL94B
• A-C: ALA19C, ALA29C, ALA30C, ALA67A, ALA67C, ARG119A, ARG119C, ARG11C, ARG24C, ARG47A, ARG65A, ARG65C, ARG69C, ARG89A, ARG89C, ASN17C, ASN98C, ASN99A, ASN99C, ASP33C, ASP78A, ASP78C, ASP85A, ASP87A, CYS62A, CYS62C, GLN114C, GLN118A, GLN118C, GLN129A, GLN25C, GLN48A, GLU124A, GLU126A, GLU127A, GLU15C, GLU46A, GLU86A, GLU86C, GLY100C, GLY28C, GLY31C, GLY45A, GLY64A, GLY71C, GLY76C, GLY80A, GLY81A, GLY82A, GLY90C, GLY93A, ILE116A, ILE116C, ILE120A, ILE120C, ILE50A, ILE54C, ILE66A, ILE66C, ILE77C, ILE79A, ILE79C, ILE84A, ILE92C, ILE95A, ILE97A, ILE97C, LEU115C, LEU125A, LEU131A, LEU34C, LEU49A, LEU72C, LEU74C, LEU96A, LYS101C, LYS14C, LYS20C, LYS60A, LYS60C, LYS75C, MET56C, MET58A, MET58C, PHE12C, PHE61A, PHE61C, PRO123A, PRO22C, PRO27C, PRO43A, PRO44A, PRO59C, PRO68C, PRO9C, SER130A, SER21C, SER26C, SER55C, SER57C, SER70C, SER73C, THR23C, TYR117C, TYR121A, TYR121C, TYR122A, TYR32C, TYR63A, TYR63C, TYR88A, TYR88C, VAL10C, VAL128A, VAL13C, VAL83A, VAL94A
• B-C: ALA19B, ALA29B, ALA30B, ALA67B, ALA67C, ARG119B, ARG119C, ARG11B, ARG24B, ARG47C, ARG65B, ARG65C, ARG69B, ARG89B, ARG89C, ASN17B, ASN98B, ASN99B, ASN99C, ASP33B, ASP78B, ASP78C, ASP85C, ASP87C, CYS62B, CYS62C, GLN114B, GLN118B, GLN118C, GLN129C, GLN25B, GLN48C, GLU124C, GLU126C, GLU127C, GLU15B, GLU46C, GLU86B, GLU86C, GLY100B, GLY28B, GLY31B, GLY45C, GLY64C, GLY71B, GLY76B, GLY80C, GLY81C, GLY82C, GLY90B, GLY93C, ILE116B, ILE116C, ILE120B, ILE120C, ILE50C, ILE54B, ILE66B, ILE66C, ILE77B, ILE79B, ILE79C, ILE84C, ILE92B, ILE95C, ILE97B, ILE97C, LEU115B, LEU125C, LEU131C, LEU34B, LEU49C, LEU72B, LEU74B, LEU96C, LYS101B, LYS14B, LYS60B, LYS60C, LYS75B, MET56B, MET58B, MET58C, PHE12B, PHE61B, PHE61C, PRO123C, PRO22B, PRO27B, PRO43C, PRO44C, PRO59B, PRO68B, PRO9B, SER130C, SER21B, SER26B, SER55B, SER57B, SER70B, SER73B, THR23B, TYR117B, TYR121B, TYR121C, TYR122C, TYR32B, TYR63B, TYR63C, TYR88B, TYR88C, VAL10B, VAL128C, VAL13B, VAL83C, VAL94C