1QBG

crystal structure of human dt-diaphorase (nad(p)h oxidoreductase)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 264
  • Norm. En. per Res.: -3.5753
• 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	-149.9173	-80.6872	-657.017	-887.6215	269	47	16	30370	6	26	37
A-C	-12.8102	0.4603	-45.1793	-57.5292	62	2	0	2121	0	19	24
B-C	0.0	0.0	-2.029	-2.029	17	0	0	302	0	0	3
B-D	0.0	-11.5463	-67.3328	-78.8791	61	11	0	4072	0	19	19
C-D	-148.1059	-78.3758	-717.397	-943.8787	264	40	16	29695	6	26	37

Interface residues

• A-B: ALA10A, ALA10B, ALA110A, ALA110B, ALA125A, ALA125B, ALA223A, ALA223B, ALA234A, ALA234B, ALA63A, ALA63B, ARG118A, ARG118B, ARG14A, ARG14B, ARG52A, ARG52B, ASN165A, ASN165B, ASN231A, ASN231B, ASN267A, ASN267B, ASN45A, ASN45B, ASN47A, ASN47B, ASN64A, ASN64B, ASP133A, ASP133B, ASP163A, ASP163B, ASP229A, ASP229B, ASP244A, ASP266A, ASP266B, CYS179A, CYS179B, GLN104A, GLN104B, GLN158A, GLN158B, GLN243A, GLN243B, GLN268A, GLN268B, GLN66A, GLN66B, GLU117A, GLU117B, GLU13A, GLU13B, GLU246A, GLU246B, GLU70A, GLU70B, GLY107A, GLY107B, GLY114A, GLY114B, GLY122A, GLY122B, GLY149A, GLY149B, GLY150A, GLY150B, GLY152A, GLY152B, GLY159A, GLY159B, GLY162A, GLY162B, GLY174A, GLY174B, GLY193A, GLY193B, GLY235A, GLY235B, GLY256A, GLY256B, GLY260A, GLY260B, HIS11A, HIS11B, HIS161A, HIS161B, HIS177A, HIS177B, HIS194A, HIS194B, HIS257A, HIS257B, HIS258A, HIS258B, ILE111A, ILE111B, ILE121A, ILE121B, ILE160A, ILE160B, ILE167A, ILE167B, ILE171A, ILE171B, ILE175A, ILE175B, ILE263A, ILE263B, ILE49A, ILE49B, ILE50A, ILE50B, LEU103A, LEU103B, LEU112A, LEU112B, LEU157A, LEU157B, LEU168A, LEU168B, LEU176A, LEU176B, LEU227A, LEU227B, LEU230A, LEU230B, LEU237A, LEU237B, LEU253A, LEU253B, LEU259A, LEU259B, LEU41A, LEU41B, LEU59A, LEU59B, LYS113A, LYS113B, LYS134A, LYS134B, LYS239A, LYS239B, LYS240A, LYS240B, LYS247A, LYS247B, LYS250A, LYS250B, LYS261A, LYS261B, LYS53A, LYS53B, MET131A, MET131B, MET154A, MET154B, MET164A, MET164B, MET238A, MET238B, PHE101A, PHE101B, PHE106A, PHE106B, PHE116A, PHE116B, PHE120A, PHE120B, PHE124A, PHE124B, PHE137A, PHE137B, PHE178A, PHE178B, PHE17A, PHE17B, PHE228A, PHE228B, PHE232A, PHE232B, PHE236A, PHE236B, PHE251A, PHE251B, PHE46A, PHE46B, PHE65A, PHE65B, PRO102A, PRO102B, PRO109A, PRO109B, PRO170A, PRO170B, PRO224A, PRO224B, PRO264A, PRO264B, PRO48A, PRO48B, PRO62A, PRO62B, PRO68A, PRO68B, SER12A, SER12B, SER151A, SER151B, SER153A, SER153B, SER156A, SER156B, SER16A, SER16B, SER173A, SER173B, SER191A, SER191B, SER225A, SER225B, SER226A, SER226B, SER254A, SER254B, SER262A, SER262B, SER51A, SER51B, THR127A, THR127B, THR148A, THR148B, THR15A, THR15B, THR265A, THR265B, TRP105A, TRP105B, TRP115A, TRP115B, TRP169A, TRP169B, TYR126A, TYR126B, TYR128A, TYR128B, TYR132A, TYR132B, TYR155A, TYR155B, TYR190A, TYR190B, TYR42A, TYR42B, TYR67A, TYR67B, VAL108A, VAL108B, VAL119A, VAL119B, VAL166A, VAL166B, VAL242A, VAL242B, VAL255A, VAL255B
• A-C: ALA43A, ALA43C, ALA86A, ALA86C, ARG118C, ARG14A, ARG14C, ARG52C, ASN45A, ASN45C, ASN47A, ASN47C, ASP40A, ASP40C, ASP54C, ASP83A, ASP83C, GLU13A, GLU23A, GLU23C, GLU38A, GLU38C, GLU87A, GLY57A, GLY57C, HIS79C, ILE111C, ILE55C, ILE84C, LEU41A, LEU41C, LEU80C, LYS22A, LYS22C, LYS30A, LYS30C, LYS53A, LYS53C, LYS58C, LYS89C, LYS90A, LYS90C, MET44A, MET44C, PHE46A, PHE46C, PRO48A, PRO48C, PRO82A, PRO82C, SER12A, SER39A, SER81C, THR15A, THR56A, THR56C, TYR19A, TYR19C, TYR42A, VAL36C, VAL37C, VAL85C
• B-C: ALA43C, ARG14C, ARG52B, ASN45B, ASN45C, ASN47B, ASN47C, GLU13C, ILE49B, ILE49C, LYS53B, LYS53C, PRO48B, PRO48C, SER12C, SER51B, TYR42C
• B-D: ALA43B, ALA43D, ALA86B, ALA86D, ARG118B, ARG118D, ARG14D, ARG52B, ARG52D, ASN45B, ASN45D, ASN47B, ASN47D, ASP40D, ASP54B, ASP54D, ASP83B, ASP83D, GLU38D, GLU77B, GLU87B, GLU87D, GLY57B, GLY57D, GLY78B, HIS79B, HIS79D, ILE49D, ILE55B, ILE55D, ILE84B, ILE84D, LEU59B, LEU80B, LEU80D, LYS53B, LYS53D, LYS58B, LYS58D, LYS89B, LYS90D, MET44B, MET44D, PHE46B, PHE46D, PHE65B, PRO48D, PRO62B, PRO82B, PRO82D, SER39D, SER51B, SER51D, SER81B, SER81D, THR56B, THR56D, TYR42D, VAL37B, VAL37D, VAL85B
• C-D: ALA10C, ALA10D, ALA110C, ALA110D, ALA125C, ALA125D, ALA223C, ALA223D, ALA234C, ALA234D, ALA63C, ALA63D, ARG118C, ARG118D, ARG14C, ARG14D, ARG200D, ARG52C, ARG52D, ASN165C, ASN165D, ASN231C, ASN231D, ASN267C, ASN267D, ASN45C, ASN45D, ASN47C, ASN47D, ASN64C, ASN64D, ASP133C, ASP133D, ASP163C, ASP163D, ASP229C, ASP229D, ASP266C, ASP266D, ASP54C, ASP61C, ASP61D, CYS179C, CYS179D, GLN104C, GLN104D, GLN158C, GLN158D, GLN243C, GLN243D, GLN268C, GLN268D, GLN66C, GLN66D, GLU117C, GLU117D, GLU13C, GLU13D, GLU70C, GLU70D, GLY107C, GLY107D, GLY114C, GLY114D, GLY122C, GLY122D, GLY149C, GLY149D, GLY150C, GLY150D, GLY152C, GLY152D, GLY159C, GLY159D, GLY162C, GLY162D, GLY174C, GLY174D, GLY193C, GLY193D, GLY235C, GLY235D, GLY256C, GLY256D, GLY260C, GLY260D, HIS11C, HIS11D, HIS161C, HIS161D, HIS177C, HIS177D, HIS194C, HIS194D, HIS257C, HIS257D, HIS258C, HIS258D, ILE111C, ILE111D, ILE121C, ILE121D, ILE160C, ILE160D, ILE167C, ILE167D, ILE171C, ILE171D, ILE175C, ILE175D, ILE263C, ILE263D, ILE49C, ILE49D, ILE50C, ILE50D, LEU103C, LEU103D, LEU112C, LEU112D, LEU157C, LEU157D, LEU168C, LEU168D, LEU176C, LEU176D, LEU227C, LEU227D, LEU230C, LEU230D, LEU237C, LEU237D, LEU253C, LEU253D, LEU259C, LEU259D, LEU41C, LEU41D, LEU59C, LEU59D, LYS113C, LYS113D, LYS134C, LYS134D, LYS239C, LYS239D, LYS240D, LYS250C, LYS250D, LYS261C, LYS261D, LYS53C, MET131C, MET131D, MET154C, MET154D, MET164C, MET164D, MET238C, MET238D, PHE101C, PHE101D, PHE106C, PHE106D, PHE116C, PHE116D, PHE120C, PHE120D, PHE124C, PHE124D, PHE137C, PHE137D, PHE178C, PHE178D, PHE17C, PHE17D, PHE228C, PHE228D, PHE232C, PHE232D, PHE236C, PHE236D, PHE251C, PHE251D, PHE46C, PHE46D, PHE65C, PHE65D, PRO102C, PRO102D, PRO109C, PRO109D, PRO170C, PRO170D, PRO224C, PRO224D, PRO264C, PRO264D, PRO48C, PRO48D, PRO62C, PRO62D, PRO68C, PRO68D, SER12C, SER12D, SER151C, SER151D, SER153C, SER153D, SER156C, SER156D, SER16C, SER16D, SER173C, SER173D, SER191C, SER191D, SER225C, SER225D, SER226C, SER226D, SER254C, SER254D, SER262C, SER262D, SER51C, SER51D, THR127C, THR127D, THR148C, THR148D, THR15C, THR15D, THR265C, THR265D, TRP105C, TRP105D, TRP115C, TRP115D, TRP169C, TRP169D, TYR126C, TYR126D, TYR128C, TYR128D, TYR132C, TYR132D, TYR155C, TYR155D, TYR190C, TYR190D, TYR42C, TYR42D, TYR67C, TYR67D, VAL108C, VAL108D, VAL119C, VAL119D, VAL166C, VAL166D, VAL255C, VAL255D