1WP9

crystal structure of pyrococcus furiosus hef helicase domain

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 166
  • Norm. En. per Res.: -3.2192
• 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	-34.007	-48.2415	-424.274	-506.5225	170	27	5	19004	8	95	89
A-E	-17.0223	-6.5311	-293.476	-317.0294	142	33	3	13528	5	58	51
B-F	-31.5385	-41.1759	-306.056	-378.7704	150	34	2	13987	8	67	64
C-D	-31.7939	-26.8544	-303.753	-362.4012	150	31	2	13685	7	69	63
C-F	-44.9933	-56.2365	-433.158	-534.3878	166	29	6	18922	11	95	90
D-E	-57.1196	-54.2909	-408.951	-520.3616	168	29	5	18876	6	93	91

Interface residues

• A-B: ALA19A, ALA19B, ALA416A, ALA416B, ALA44B, ARG11A, ARG11B, ARG196A, ARG196B, ARG417A, ARG417B, ARG457A, ARG457B, ARG459A, ARG459B, ARG462A, ARG462B, ARG47A, ARG47B, ARG4A, ARG4B, ARG5A, ARG5B, ARG73A, ARG73B, ARG74A, ARG74B, ASN361A, ASN361B, ASN77A, ASN77B, ASP413A, ASP413B, ASP434A, ASP434B, ASP6A, ASP6B, GLN14A, GLN14B, GLN67A, GLN67B, GLN9A, GLN9B, GLU15A, GLU15B, GLU23A, GLU23B, GLU414A, GLU419A, GLU431A, GLU431B, GLU437A, GLU437B, GLU45A, GLU45B, GLU70A, GLU70B, GLY201B, GLY33A, GLY33B, GLY35A, GLY35B, GLY418A, GLY418B, GLY432A, GLY432B, GLY461A, GLY461B, GLY52A, GLY52B, HIS463A, HIS463B, HIS68A, HIS68B, ILE12A, ILE12B, ILE39A, ILE39B, ILE43A, ILE43B, ILE83A, ILE83B, ILE8A, ILE8B, LEU34A, LEU34B, LEU38A, LEU38B, LEU3A, LEU3B, LEU412A, LEU412B, LEU433B, LEU48A, LEU48B, LEU75A, LEU75B, LEU78A, LEU78B, LEU7A, LEU7B, LYS103A, LYS103B, LYS200A, LYS200B, LYS22A, LYS22B, LYS359A, LYS359B, LYS363A, LYS363B, LYS36A, LYS409A, LYS409B, LYS50A, LYS50B, LYS82B, MET1A, MET1B, MET41A, MET41B, MET42A, MET42B, MET464A, MET464B, PHE415A, PHE415B, PHE72A, PHE72B, PHE76A, PHE76B, PRO10A, PRO10B, PRO197A, PRO197B, PRO436A, PRO436B, PRO79A, PRO79B, PRO80A, PRO80B, SER362A, SER71A, SER71B, THR37A, THR37B, THR460A, THR460B, THR49A, THR49B, TYR13A, TYR13B, TYR18A, TYR18B, TYR198A, TYR198B, TYR46A, TYR46B, TYR51A, TYR51B, VAL16A, VAL16B, VAL199A, VAL199B, VAL2A, VAL2B, VAL435A, VAL435B, VAL438A, VAL438B
• A-E: ALA164A, ALA164E, ALA234A, ALA234E, ALA473A, ALA480A, ALA480E, ARG148A, ARG148E, ARG188A, ARG188E, ARG208A, ARG208E, ARG219A, ARG219E, ARG223A, ARG223E, ARG227A, ARG227E, ARG477A, ARG477E, ARG486A, ARG486E, ASN140A, ASN140E, ASN178A, ASN178E, ASN179A, ASN179E, ASN191A, ASN191E, ASP245A, ASP245E, ASP478A, ASP478E, GLN487E, GLU171A, GLU171E, GLU175A, GLU175E, GLU183A, GLU183E, GLU186A, GLU186E, GLU235A, GLU235E, GLU240A, GLU240E, GLU250A, GLU250E, GLU290A, GLU479A, GLU479E, GLY139A, GLY139E, GLY167A, GLY167E, GLY475A, GLY475E, HIS135E, HIS184A, HIS184E, HIS283A, HIS283E, ILE173A, ILE173E, ILE177A, ILE177E, ILE182A, ILE182E, ILE185A, ILE185E, ILE246A, ILE246E, LEU239E, LEU27A, LEU27E, LYS172A, LYS172E, LYS216A, LYS216E, LYS231A, LYS231E, LYS248A, LYS248E, LYS249A, LYS249E, LYS474A, LYS474E, MET174A, MET174E, MET472A, MET472E, PRO166A, PRO166E, PRO170A, PRO170E, PRO193A, PRO244A, PRO244E, PRO247A, PRO247E, SER165A, SER165E, SER168A, SER168E, SER189A, SER189E, SER192A, SER241A, SER241E, SER242A, SER242E, SER243A, SER243E, SER484A, SER484E, SER485A, SER485E, THR163E, THR169A, THR169E, THR476A, THR476E, TRP483A, TRP483E, TYR141A, TYR141E, TYR187A, TYR187E, TYR481A, TYR481E, TYR482A, TYR482E, VAL138A, VAL138E, VAL144A, VAL144E, VAL176A, VAL176E, VAL29A, VAL29E
• B-F: ALA137F, ALA164F, ALA234B, ALA234F, ALA473B, ALA473F, ALA480B, ALA480F, ARG148B, ARG148F, ARG188B, ARG188F, ARG208B, ARG208F, ARG219B, ARG219F, ARG223B, ARG223F, ARG227B, ARG227F, ARG477B, ARG477F, ARG486B, ARG486F, ASN140B, ASN140F, ASN178B, ASN178F, ASN179B, ASN179F, ASN191B, ASN191F, ASP245B, ASP245F, ASP478B, ASP478F, CYS26B, GLN487B, GLN487F, GLU171B, GLU171F, GLU175B, GLU175F, GLU183B, GLU183F, GLU186B, GLU186F, GLU224B, GLU224F, GLU235B, GLU235F, GLU240B, GLU240F, GLU250B, GLU250F, GLU290F, GLU479B, GLU479F, GLY139B, GLY139F, GLY167B, GLY167F, GLY475B, GLY475F, HIS184B, HIS184F, HIS283B, HIS283F, ILE173B, ILE173F, ILE177B, ILE177F, ILE182B, ILE182F, ILE185B, ILE185F, ILE246B, ILE246F, LEU27B, LEU27F, LYS172B, LYS172F, LYS20B, LYS20F, LYS216B, LYS216F, LYS231B, LYS231F, LYS248B, LYS248F, LYS249B, LYS249F, LYS264B, LYS264F, LYS474B, LYS474F, MET174B, MET174F, MET472B, MET472F, PRO166B, PRO166F, PRO170B, PRO170F, PRO244B, PRO244F, PRO247B, PRO247F, PRO448B, PRO448F, SER165B, SER165F, SER168B, SER168F, SER189B, SER189F, SER192F, SER241B, SER241F, SER242B, SER242F, SER243B, SER243F, SER484B, SER484F, SER485B, SER485F, THR169B, THR169F, THR24B, THR476B, THR476F, TRP483B, TRP483F, TYR141B, TYR141F, TYR187B, TYR187F, TYR481B, TYR481F, TYR482B, TYR482F, VAL138B, VAL138F, VAL144B, VAL144F, VAL176B, VAL176F, VAL29B, VAL29F
• C-D: ALA137C, ALA137D, ALA234C, ALA234D, ALA473C, ALA473D, ALA480C, ALA480D, ARG148C, ARG148D, ARG188C, ARG188D, ARG208C, ARG208D, ARG219C, ARG219D, ARG223C, ARG223D, ARG227C, ARG227D, ARG477C, ARG477D, ARG486C, ARG486D, ASN140C, ASN140D, ASN178C, ASN178D, ASN179C, ASN179D, ASN191C, ASN191D, ASP245C, ASP245D, ASP478C, ASP478D, GLN487C, GLU171C, GLU171D, GLU175C, GLU175D, GLU183C, GLU183D, GLU186C, GLU186D, GLU224C, GLU224D, GLU235C, GLU235D, GLU240C, GLU240D, GLU250C, GLU250D, GLU290C, GLU479C, GLU479D, GLY139C, GLY139D, GLY167C, GLY167D, GLY475C, GLY475D, HIS184C, HIS184D, HIS283C, HIS283D, ILE173C, ILE173D, ILE177C, ILE177D, ILE182C, ILE182D, ILE185C, ILE185D, ILE246C, ILE246D, LEU239D, LEU27C, LEU27D, LYS151C, LYS172C, LYS172D, LYS20C, LYS20D, LYS216C, LYS216D, LYS220D, LYS231C, LYS231D, LYS248C, LYS248D, LYS249C, LYS249D, LYS264C, LYS264D, LYS474C, LYS474D, MET174C, MET174D, MET472C, MET472D, PRO166C, PRO166D, PRO170C, PRO170D, PRO244C, PRO244D, PRO247C, PRO247D, PRO448C, PRO448D, SER165D, SER168C, SER168D, SER189C, SER189D, SER192D, SER241C, SER241D, SER242C, SER242D, SER243C, SER243D, SER484C, SER484D, SER485C, SER485D, THR169C, THR169D, THR24D, THR476C, THR476D, TRP483C, TRP483D, TYR141C, TYR141D, TYR187C, TYR187D, TYR481C, TYR481D, TYR482C, TYR482D, VAL138C, VAL138D, VAL144C, VAL144D, VAL176C, VAL176D, VAL29C, VAL29D
• C-F: ALA19C, ALA19F, ALA416C, ALA416F, ALA44C, ARG11C, ARG11F, ARG196C, ARG196F, ARG417C, ARG417F, ARG457C, ARG457F, ARG459C, ARG459F, ARG462C, ARG462F, ARG47C, ARG47F, ARG4C, ARG4F, ARG5C, ARG5F, ARG73C, ARG73F, ARG74C, ARG74F, ASN361C, ASN361F, ASN77C, ASN77F, ASP413C, ASP413F, ASP434C, ASP434F, ASP6C, ASP6F, GLN14C, GLN14F, GLN67C, GLN67F, GLN9C, GLN9F, GLU15C, GLU15F, GLU23C, GLU23F, GLU414F, GLU431C, GLU431F, GLU437C, GLU437F, GLU45C, GLU45F, GLU70C, GLU70F, GLY201F, GLY33C, GLY33F, GLY35C, GLY35F, GLY418C, GLY418F, GLY432F, GLY461C, GLY461F, GLY52C, GLY52F, HIS463C, HIS463F, HIS68C, HIS68F, ILE12C, ILE12F, ILE39C, ILE39F, ILE43C, ILE43F, ILE83C, ILE83F, ILE8C, ILE8F, LEU34C, LEU34F, LEU38C, LEU38F, LEU3C, LEU3F, LEU412C, LEU412F, LEU433C, LEU433F, LEU48C, LEU48F, LEU75C, LEU75F, LEU78C, LEU78F, LEU7C, LEU7F, LYS103C, LYS103F, LYS200C, LYS200F, LYS22C, LYS22F, LYS359C, LYS359F, LYS363C, LYS363F, LYS409C, LYS409F, LYS50C, LYS50F, MET1C, MET1F, MET41C, MET41F, MET42C, MET42F, MET464C, MET464F, PHE415C, PHE415F, PHE72C, PHE72F, PHE76C, PHE76F, PRO10C, PRO10F, PRO197C, PRO197F, PRO436C, PRO436F, PRO79C, PRO79F, PRO80C, PRO80F, SER71C, SER71F, THR37C, THR37F, THR460C, THR460F, THR49C, THR49F, TYR13C, TYR13F, TYR18C, TYR18F, TYR198C, TYR198F, TYR46C, TYR46F, TYR51C, TYR51F, VAL16C, VAL16F, VAL199C, VAL199F, VAL2C, VAL2F, VAL435C, VAL435F, VAL438C, VAL438F
• D-E: ALA19D, ALA19E, ALA416D, ALA416E, ALA44D, ARG11D, ARG11E, ARG196D, ARG196E, ARG417D, ARG417E, ARG457D, ARG457E, ARG459D, ARG459E, ARG462D, ARG462E, ARG47D, ARG47E, ARG4D, ARG4E, ARG5D, ARG5E, ARG73D, ARG73E, ARG74D, ARG74E, ASN361D, ASN361E, ASN77D, ASN77E, ASP413D, ASP413E, ASP434D, ASP434E, ASP6D, ASP6E, GLN14D, GLN14E, GLN67D, GLN67E, GLN9D, GLN9E, GLU15D, GLU15E, GLU23D, GLU23E, GLU414E, GLU419E, GLU431D, GLU431E, GLU437D, GLU437E, GLU45D, GLU45E, GLU70D, GLU70E, GLY201D, GLY33D, GLY33E, GLY35D, GLY35E, GLY418D, GLY418E, GLY461D, GLY461E, GLY52D, GLY52E, HIS463D, HIS463E, HIS68D, HIS68E, ILE12D, ILE12E, ILE39D, ILE39E, ILE43D, ILE43E, ILE83D, ILE83E, ILE8D, ILE8E, LEU34D, LEU34E, LEU38D, LEU38E, LEU3D, LEU3E, LEU412D, LEU412E, LEU433D, LEU433E, LEU48D, LEU48E, LEU75D, LEU75E, LEU78D, LEU78E, LEU7D, LEU7E, LYS103D, LYS103E, LYS200D, LYS200E, LYS22D, LYS22E, LYS359D, LYS359E, LYS363D, LYS363E, LYS36D, LYS36E, LYS409D, LYS409E, LYS50D, LYS50E, MET1D, MET1E, MET41D, MET41E, MET42D, MET42E, MET464D, MET464E, PHE415E, PHE72D, PHE72E, PHE76D, PHE76E, PRO10D, PRO10E, PRO197D, PRO197E, PRO436D, PRO436E, PRO79D, PRO79E, PRO80D, PRO80E, SER71D, SER71E, THR37D, THR37E, THR460D, THR460E, THR49D, THR49E, TYR13D, TYR13E, TYR18D, TYR18E, TYR198D, TYR198E, TYR46D, TYR46E, TYR51D, TYR51E, VAL16D, VAL16E, VAL195D, VAL199D, VAL199E, VAL2D, VAL2E, VAL435D, VAL435E, VAL438D, VAL438E