1WS2

urate oxidase from aspergillus flavus complexed with 5,6- diaminouracil

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 226
  • Norm. En. per Res.: -4.9715
• 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	-237.5811	-63.3335	-775.479	-1076.3935	226	38	26	30559	4	63	58
A-C	-217.2814	-34.294	-774.277	-1025.8524	225	35	30	31857	5	94	98
A-D	0.0	-13.7959	-78.0651	-91.861	35	0	0	2502	0	12	5
B-C	-2.8818	-12.6384	-74.2454	-89.7656	35	1	0	2454	0	12	3
B-D	-216.6911	-51.5469	-765.371	-1033.609	220	36	28	31961	5	95	96
C-D	-233.6606	-78.8243	-811.083	-1123.568	226	35	30	31093	6	64	58

Interface residues

• A-B: ALA225A, ALA225B, ALA229A, ALA229B, ALA235A, ALA235B, ALA2A, ALA2B, ALA49A, ALA49B, ALA56A, ALA56B, ALA5A, ALA5B, ALA6A, ALA6B, ARG14A, ARG14B, ARG164A, ARG164B, ARG176A, ARG176B, ARG294A, ARG294B, ARG7A, ARG7B, ASN12A, ASN12B, ASN254A, ASN254B, ASN285A, ASN285B, ASN51A, ASN51B, ASN62A, ASN62B, ASN92A, ASN92B, ASP11A, ASP11B, ASP165A, ASP165B, ASP222A, ASP222B, ASP283A, ASP283B, ASP50A, ASP50B, ASP58A, ASP58B, CYS290A, CYS290B, CYS35A, CYS35B, GLN158A, GLN158B, GLN187A, GLN187B, GLN228A, GLN228B, GLN281A, GLN281B, GLN70A, GLN70B, GLU166A, GLU166B, GLU172A, GLU172B, GLU236A, GLU236B, GLU246A, GLU246B, GLU249A, GLU249B, GLU39A, GLU43A, GLU43B, GLY161A, GLY161B, GLY286A, GLY286B, GLY293A, GLY293B, GLY9A, GLY9B, HIS256A, HIS256B, HIS86A, HIS86B, HIS93A, HIS93B, HIS98A, ILE288A, ILE288B, ILE42A, ILE42B, ILE54A, ILE54B, ILE60A, ILE60B, ILE64A, ILE64B, ILE66A, ILE66B, ILE94A, ILE94B, LEU163A, LEU163B, LEU170A, LEU170B, LEU239A, LEU239B, LEU252A, LEU252B, LEU287A, LEU287B, LEU37A, LEU37B, LEU38A, LEU38B, LYS10A, LYS10B, LYS171A, LYS171B, LYS233A, LYS233B, LYS255A, LYS255B, LYS289A, LYS289B, LYS48A, LYS48B, LYS4A, LYS4B, LYS61A, LYS61B, LYS90A, LYS90B, MET231A, MET231B, PHE159A, PHE159B, PHE162A, PHE162B, PHE258A, PHE258B, PHE87A, PHE87B, PRO253A, PRO253B, PRO284A, PRO284B, SER224A, SER224B, SER226A, SER226B, SER251A, SER251B, SER282A, SER282B, SER295A, SER295B, SER45A, SER45B, SER52A, SER52B, SER59A, SER59B, THR168A, THR168B, THR169A, THR169B, THR230A, THR230B, THR247A, THR247B, THR291A, THR291B, THR33A, THR33B, THR44A, THR44B, THR47A, THR47B, THR57A, THR57B, THR63A, THR63B, THR67A, THR67B, TRP160A, TRP160B, TYR167A, TYR167B, TYR232A, TYR232B, TYR250A, TYR250B, TYR46A, TYR46B, TYR65A, TYR65B, TYR8A, TYR8B, TYR91A, TYR91B, VAL13A, VAL13B, VAL15A, VAL15B, VAL227A, VAL227B, VAL248A, VAL248B, VAL292A, VAL292B, VAL34A, VAL34B, VAL36A, VAL36B, VAL3A, VAL3B, VAL53A, VAL53B, VAL55A, VAL55B
• A-C: ALA220A, ALA220C, ALA275A, ALA275C, ALA279A, ALA279C, ALA68A, ALA68C, ARG105A, ARG105C, ARG108A, ARG108C, ARG122A, ARG122C, ARG14A, ARG14C, ARG176A, ARG176C, ARG212A, ARG212C, ASN12A, ASN12C, ASN156A, ASN156C, ASN223A, ASN223C, ASN270A, ASN270C, ASN274A, ASN274C, ASN62A, ASN62C, ASN71A, ASN71C, ASP110A, ASP110C, ASP112A, ASP112C, ASP123A, ASP123C, ASP175A, ASP175C, ASP181A, ASP181C, ASP222A, ASP222C, ASP261A, ASP261C, ASP283A, ASP283C, ASP58A, ASP58C, GLN269A, GLN269C, GLN27A, GLN27C, GLN281A, GLN281C, GLN70A, GLN70C, GLU125A, GLU125C, GLU126A, GLU126C, GLU213A, GLU213C, GLU221A, GLU221C, GLU22A, GLU259A, GLU259C, GLU276A, GLU276C, GLU31A, GLU31C, GLY148A, GLY148C, GLY25A, GLY25C, GLY272A, GLY272C, HIS104A, HIS104C, HIS116A, HIS116C, HIS118A, HIS118C, HIS19A, HIS19C, HIS256A, HIS256C, HIS265A, HIS265C, HIS86A, HIS86C, ILE111A, ILE111C, ILE121A, ILE121C, ILE177A, ILE177C, ILE260A, ILE260C, ILE64A, ILE64C, ILE66A, ILE66C, LEU149A, LEU149C, LEU152A, LEU152C, LEU178A, LEU178C, LEU216A, LEU216C, LEU262A, LEU262C, LEU268A, LEU268C, LYS114A, LYS114C, LYS153A, LYS153C, LYS17A, LYS17C, LYS20A, LYS20C, LYS217A, LYS217C, LYS255A, LYS255C, LYS266A, LYS266C, LYS273A, LYS273C, LYS61A, LYS61C, LYS69A, LYS69C, LYS90A, LYS90C, MET109A, MET109C, MET32A, MET32C, PHE120A, PHE120C, PHE219A, PHE219C, PHE258A, PHE258C, PHE278A, PHE278C, PHE79A, PHE79C, PRO117A, PRO117C, PRO280A, PRO280C, SER119A, SER119C, SER124A, SER124C, SER154A, SER154C, SER157A, SER157C, SER179A, SER179C, SER263C, SER282A, SER282C, SER59A, SER59C, THR107A, THR107C, THR150A, THR150C, THR155A, THR155C, THR180A, THR180C, THR215A, THR215C, THR218A, THR218C, THR271A, THR271C, THR28A, THR28C, THR33A, THR33C, THR63A, THR63C, THR67A, THR67C, TRP106A, TRP106C, TRP264A, TRP264C, TYR16A, TYR16C, TYR257A, TYR257C, TYR30A, TYR30C, TYR65A, TYR65C, VAL13A, VAL13C, VAL151A, VAL151C, VAL15A, VAL15C, VAL182C, VAL18A, VAL18C, VAL26A, VAL26C, VAL277A, VAL277C, VAL29A, VAL29C, VAL73A, VAL73C
• A-D: ALA279A, ALA279D, ASP165A, ASP165D, ASP261A, ASP261D, ASP283A, ASP283D, GLN281A, GLN281D, GLU166A, GLU166D, HIS265A, HIS265D, LEU170A, LEU262A, LEU262D, LEU268A, LEU268D, LYS266A, LYS266D, PRO280A, PRO280D, PRO284A, PRO284D, SER282A, SER282D, THR168A, THR168D, THR169A, THR169D, TRP264A, TRP264D, TYR167A, TYR167D
• B-C: ALA279B, ALA279C, ASP165B, ASP165C, ASP261B, ASP261C, ASP283B, ASP283C, GLN281B, GLN281C, GLU166B, GLU166C, HIS265B, HIS265C, LEU262B, LEU262C, LEU268B, LEU268C, LYS266B, LYS266C, PHE258C, PRO280B, PRO280C, PRO284B, PRO284C, SER282B, SER282C, THR168B, THR168C, THR169B, THR169C, TRP264B, TRP264C, TYR167B, TYR167C
• B-D: ALA220B, ALA220D, ALA275B, ALA275D, ALA279B, ALA279D, ALA68B, ALA68D, ARG105B, ARG105D, ARG108B, ARG108D, ARG122B, ARG122D, ARG14B, ARG14D, ARG176B, ARG176D, ARG212B, ARG212D, ASN12B, ASN12D, ASN156B, ASN156D, ASN223B, ASN223D, ASN270B, ASN270D, ASN274B, ASN274D, ASN62B, ASN62D, ASN71B, ASN71D, ASP110B, ASP110D, ASP112B, ASP112D, ASP123B, ASP123D, ASP175B, ASP175D, ASP181B, ASP181D, ASP222B, ASP222D, ASP261D, ASP283B, ASP283D, ASP58B, ASP58D, GLN269B, GLN269D, GLN27B, GLN27D, GLN281B, GLN281D, GLN70B, GLN70D, GLU125B, GLU125D, GLU126B, GLU126D, GLU213B, GLU213D, GLU221B, GLU221D, GLU259B, GLU259D, GLU276B, GLU276D, GLU31B, GLU31D, GLY148B, GLY148D, GLY25B, GLY25D, GLY272B, GLY272D, HIS104B, HIS104D, HIS116B, HIS116D, HIS118B, HIS118D, HIS19B, HIS19D, HIS256B, HIS256D, HIS265B, HIS265D, HIS86B, HIS86D, ILE111B, ILE111D, ILE121B, ILE121D, ILE177B, ILE177D, ILE260B, ILE260D, ILE64B, ILE64D, ILE66B, ILE66D, LEU149B, LEU149D, LEU152B, LEU152D, LEU178B, LEU178D, LEU216B, LEU216D, LEU262B, LEU262D, LEU268B, LEU268D, LYS114B, LYS153B, LYS153D, LYS17B, LYS17D, LYS20B, LYS20D, LYS217B, LYS217D, LYS255B, LYS255D, LYS266B, LYS266D, LYS273B, LYS273D, LYS61B, LYS61D, LYS69B, LYS69D, LYS90B, LYS90D, MET109B, MET109D, MET32B, MET32D, PHE120B, PHE120D, PHE219B, PHE219D, PHE258B, PHE258D, PHE278B, PHE278D, PHE79B, PHE79D, PRO117B, PRO117D, PRO280B, PRO280D, SER119B, SER119D, SER124B, SER124D, SER154B, SER154D, SER157B, SER157D, SER179B, SER179D, SER282B, SER282D, SER59B, SER59D, THR107B, THR107D, THR150B, THR150D, THR155B, THR155D, THR180B, THR180D, THR215B, THR215D, THR218B, THR218D, THR271B, THR271D, THR28B, THR28D, THR33B, THR33D, THR63B, THR63D, THR67B, THR67D, TRP106B, TRP106D, TRP264B, TRP264D, TYR16B, TYR16D, TYR257B, TYR257D, TYR30B, TYR30D, TYR65B, TYR65D, VAL13B, VAL13D, VAL151B, VAL151D, VAL15B, VAL15D, VAL182D, VAL18B, VAL18D, VAL26D, VAL277B, VAL277D, VAL29B, VAL29D, VAL73B, VAL73D
• C-D: ALA225C, ALA225D, ALA229C, ALA229D, ALA235C, ALA235D, ALA2C, ALA2D, ALA49C, ALA49D, ALA56C, ALA56D, ALA5C, ALA5D, ALA6C, ALA6D, ARG14C, ARG14D, ARG164C, ARG164D, ARG176C, ARG176D, ARG294C, ARG294D, ARG7C, ARG7D, ASN12C, ASN12D, ASN254C, ASN254D, ASN285C, ASN285D, ASN51C, ASN51D, ASN62C, ASN62D, ASN92C, ASN92D, ASP11C, ASP11D, ASP165C, ASP165D, ASP222C, ASP222D, ASP283C, ASP283D, ASP50C, ASP50D, ASP58C, ASP58D, CYS290C, CYS290D, CYS35C, CYS35D, GLN158C, GLN158D, GLN187D, GLN228C, GLN228D, GLN281C, GLN281D, GLN70C, GLN70D, GLU166C, GLU166D, GLU172C, GLU172D, GLU236C, GLU236D, GLU246C, GLU246D, GLU249C, GLU249D, GLU39C, GLU43C, GLU43D, GLY161C, GLY161D, GLY286C, GLY286D, GLY293C, GLY293D, GLY9C, GLY9D, HIS256C, HIS256D, HIS86C, HIS86D, HIS93C, HIS93D, ILE288C, ILE288D, ILE42C, ILE42D, ILE54C, ILE54D, ILE60C, ILE60D, ILE64C, ILE64D, ILE66C, ILE66D, ILE94C, ILE94D, LEU163C, LEU163D, LEU170C, LEU170D, LEU239C, LEU239D, LEU252C, LEU252D, LEU287C, LEU287D, LEU297C, LEU37C, LEU37D, LEU38C, LEU38D, LYS10C, LYS10D, LYS171C, LYS171D, LYS233C, LYS233D, LYS255C, LYS289C, LYS289D, LYS48C, LYS48D, LYS4C, LYS4D, LYS61C, LYS61D, LYS90C, LYS90D, MET231C, MET231D, PHE159C, PHE159D, PHE162C, PHE162D, PHE258C, PHE258D, PHE87C, PHE87D, PRO253C, PRO253D, PRO284C, PRO284D, SER224C, SER224D, SER226C, SER226D, SER251C, SER251D, SER282C, SER282D, SER295C, SER295D, SER296C, SER45C, SER45D, SER52C, SER52D, SER59C, SER59D, THR168C, THR168D, THR169C, THR169D, THR173D, THR230C, THR230D, THR247C, THR247D, THR291C, THR291D, THR33C, THR33D, THR44C, THR44D, THR47C, THR47D, THR57C, THR57D, THR63C, THR63D, THR67C, THR67D, TRP160C, TRP160D, TYR167C, TYR167D, TYR232C, TYR232D, TYR250C, TYR250D, TYR46C, TYR46D, TYR65C, TYR65D, TYR8C, TYR8D, TYR91C, TYR91D, VAL13C, VAL13D, VAL15C, VAL15D, VAL227C, VAL227D, VAL248C, VAL248D, VAL292C, VAL292D, VAL34C, VAL34D, VAL36C, VAL36D, VAL3C, VAL3D, VAL53C, VAL53D, VAL55C, VAL55D