3HRX

crystal structure of phenylacetic acid degradation protein paag

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 157
  • Norm. En. per Res.: -4.1878
• Hub Node: A(5)

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	-68.3776	-10.75	-526.227	-605.3546	157	19	24	22151	0	36	38
A-C	-81.2905	-13.2463	-562.949	-657.4858	157	16	26	23279	0	41	35
A-D	0.0	66.0984	-35.2343	30.8641	28	1	0	1207	0	24	23
A-E	0.0	9.3376	-21.3074	-11.9698	23	0	0	1078	0	13	13
A-F	0.0	-9.2809	-2.017	-11.2979	20	0	0	279	0	11	13
B-C	-73.7354	-12.1641	-554.071	-639.9705	159	21	26	23454	0	41	35
B-D	-3.7718	0.0	-54.6214	-58.3932	45	1	5	3032	0	5	7
B-F	0.0	18.072	-11.0428	7.0292	29	8	0	689	2	25	22
C-F	0.0	-29.793	-16.0821	-45.8751	15	0	0	724	3	6	8
D-E	-86.5937	-12.3106	-546.261	-645.1653	158	18	23	23010	1	40	39
D-F	-74.1608	-1.57	-515.033	-590.7639	153	14	26	21793	0	33	32
E-F	-75.2142	-12.9991	-533.646	-621.8593	159	17	26	22573	0	39	39

Interface residues

• A-B: ALA105A, ALA150A, ALA152A, ALA169B, ALA190B, ALA200B, ALA202B, ALA219B, ALA221B, ALA224B, ALA230B, ALA242B, ALA59A, ALA75A, ALA86A, ARG116B, ARG130A, ARG145A, ARG145B, ARG175B, ARG199B, ARG213A, ARG213B, ARG241B, ARG244B, ARG254B, ARG69A, ARG78A, ARG82A, ASN81A, ASP114B, ASP136A, ASP235B, ASP62A, ASP68A, ASP72A, GLN153A, GLN227B, GLN229B, GLN232B, GLN234B, GLN61A, GLU154A, GLU192B, GLU210A, GLU210B, GLU218B, GLU223B, GLU237B, GLU238B, GLU65A, GLU74A, GLU85A, GLY113B, GLY132A, GLY138A, GLY148A, GLY148B, GLY171B, GLY196B, GLY228B, GLY231B, GLY239B, GLY67A, GLY89A, HIS174B, HIS236B, HIS76A, ILE131A, LEU111B, LEU115B, LEU117B, LEU133A, LEU139A, LEU142A, LEU142B, LEU143A, LEU143B, LEU146A, LEU146B, LEU149A, LEU149B, LEU155A, LEU156A, LEU157A, LEU158A, LEU168B, LEU170B, LEU172B, LEU189B, LEU193B, LEU203B, LEU207B, LEU208B, LEU209A, LEU209B, LEU214A, LEU214B, LEU216B, LEU21A, LEU220B, LEU222B, LEU226B, LEU63A, LEU77A, LEU87A, LEU94B, LYS151A, LYS205B, LYS206B, LYS70A, LYS92B, PHE128A, PHE141A, PHE141B, PHE243B, PHE251B, PHE66A, PRO135A, PRO144A, PRO144B, PRO160A, PRO197B, PRO249B, PRO71A, PRO93B, SER108A, SER137A, SER140A, SER159A, SER215B, SER88A, THR126A, THR198B, THR204B, THR211A, THR211B, THR217B, THR233B, THR64A, TRP112A, TRP112B, TYR201B, TYR212A, TYR212B, TYR73A, TYR80A, VAL129A, VAL134A, VAL147A, VAL147B, VAL173B, VAL225B, VAL240B, VAL83A, VAL84A, VAL95B
• A-C: ALA105C, ALA127C, ALA150C, ALA152C, ALA167A, ALA169A, ALA200A, ALA202A, ALA219A, ALA221A, ALA224A, ALA230A, ALA242A, ALA59C, ALA75C, ALA86C, ARG116A, ARG130C, ARG145A, ARG145C, ARG175A, ARG199A, ARG213A, ARG213C, ARG241A, ARG244A, ARG254A, ARG78C, ARG79C, ARG82C, ASN81C, ASP114A, ASP136C, ASP235A, ASP62C, ASP68C, ASP72C, GLN153C, GLN227A, GLN229A, GLN232A, GLN234A, GLN61C, GLU154C, GLU192A, GLU210A, GLU210C, GLU218A, GLU223A, GLU237A, GLU238A, GLU65C, GLU74C, GLU85C, GLY113A, GLY132C, GLY138C, GLY148A, GLY148C, GLY171A, GLY196A, GLY228A, GLY231A, GLY239A, GLY67C, GLY89C, HIS174A, HIS236A, HIS76C, ILE131C, LEU111A, LEU115A, LEU117A, LEU133C, LEU139C, LEU142A, LEU142C, LEU143A, LEU143C, LEU146A, LEU146C, LEU149A, LEU149C, LEU155C, LEU156C, LEU157C, LEU158C, LEU168A, LEU170A, LEU172A, LEU189A, LEU193A, LEU203A, LEU207A, LEU208A, LEU209A, LEU209C, LEU214A, LEU214C, LEU216A, LEU21C, LEU220A, LEU222A, LEU226A, LEU63C, LEU77C, LEU87C, LEU94A, LYS151C, LYS205A, LYS206A, LYS70C, PHE128C, PHE141A, PHE141C, PHE243A, PHE251A, PHE66C, PRO135C, PRO144A, PRO144C, PRO160C, PRO197A, PRO249A, PRO71C, PRO93A, SER108C, SER137C, SER140C, SER159C, SER215A, SER88C, THR126C, THR198A, THR204A, THR211A, THR211C, THR217A, THR233A, THR64C, TRP112A, TRP112C, TYR201A, TYR212A, TYR212C, TYR73C, TYR80C, VAL129C, VAL134C, VAL147A, VAL147C, VAL173A, VAL225A, VAL240A, VAL83C, VAL84C, VAL95A
• A-D: ALA219D, ALA221D, ALA75A, ARG213D, ARG69A, ARG78A, ARG78D, ARG79A, ARG82D, ASN81A, ASP72A, GLU210D, GLU218D, GLU74A, GLU85A, GLU85D, HIS76A, LEU207D, LEU214D, LEU222D, LEU226D, LEU77A, LYS206D, LYS70A, PRO71A, SER215D, THR217D, TYR73A
• A-E: ALA219E, ALA221E, ALA75A, ARG213E, ARG69A, ARG78A, ARG78E, ARG79A, ARG82A, ASP72A, GLU218E, GLU41A, GLU74A, HIS76A, LEU214E, LEU216E, LYS37A, LYS70A, PHE66A, PRO71A, SER215E, THR217E, TYR73A
• A-F: ALA221F, ARG213A, ARG213F, ARG78A, ARG82A, ARG82F, ASN81A, GLU218A, GLU218F, GLU41F, GLU85A, GLU85F, LEU214F, LYS37A, LYS37F, SER215A, SER215F, THR217F, TYR33A, TYR33F
• B-C: ALA105B, ALA127B, ALA150B, ALA152B, ALA167C, ALA169C, ALA200C, ALA202C, ALA219C, ALA221C, ALA224C, ALA230C, ALA242C, ALA59B, ALA75B, ALA86B, ARG116C, ARG130B, ARG145B, ARG145C, ARG175C, ARG199C, ARG213B, ARG213C, ARG241C, ARG244C, ARG254C, ARG69B, ARG78B, ARG79B, ARG82B, ASN81B, ASP114C, ASP136B, ASP235C, ASP62B, ASP68B, ASP72B, GLN153B, GLN227C, GLN229C, GLN232C, GLN234C, GLN61B, GLU154B, GLU192C, GLU210B, GLU210C, GLU218C, GLU223C, GLU237C, GLU238C, GLU65B, GLU74B, GLU85B, GLY113C, GLY132B, GLY138B, GLY148B, GLY148C, GLY171C, GLY196C, GLY228C, GLY231C, GLY239C, GLY67B, GLY89B, HIS174C, HIS236C, HIS76B, ILE131B, LEU111C, LEU115C, LEU117C, LEU133B, LEU139B, LEU142B, LEU142C, LEU143B, LEU143C, LEU146B, LEU146C, LEU149B, LEU149C, LEU155B, LEU156B, LEU157B, LEU158B, LEU168C, LEU170C, LEU172C, LEU189C, LEU193C, LEU203C, LEU207C, LEU208C, LEU209B, LEU209C, LEU214B, LEU214C, LEU216C, LEU21B, LEU220C, LEU222C, LEU226C, LEU63B, LEU77B, LEU87B, LEU94C, LYS151B, LYS205C, LYS206C, LYS70B, LYS92C, PHE128B, PHE141B, PHE141C, PHE243C, PHE251C, PHE66B, PRO135B, PRO144B, PRO144C, PRO160B, PRO197C, PRO249C, PRO71B, PRO93C, SER108B, SER137B, SER140B, SER159B, SER215C, SER88B, THR126B, THR198C, THR204C, THR211B, THR211C, THR217C, THR233C, THR64B, TRP112B, TRP112C, TYR201C, TYR212B, TYR212C, TYR73B, TYR80B, VAL129B, VAL134B, VAL147B, VAL147C, VAL173C, VAL225C, VAL240C, VAL83B, VAL84B, VAL95C
• B-D: ALA219B, ALA219D, ALA221B, ALA221D, ALA224B, ALA224D, ARG199B, ARG213D, GLN229B, GLN229D, GLN232B, GLN232D, GLU210D, GLU218B, GLU218D, GLU223B, GLU223D, GLU40B, GLU41B, GLU91B, GLU91D, GLY228B, GLY228D, LEU203B, LEU203D, LEU207B, LEU207D, LEU214B, LEU214D, LEU216B, LEU216D, LEU220B, LEU220D, LEU222B, LEU222D, LEU226B, LEU226D, LYS206B, LYS206D, SER215B, SER215D, THR217B, THR217D, VAL225B, VAL225D
• B-F: ALA75F, ALA86B, ARG213B, ARG213F, ARG78B, ARG78F, ARG79F, ARG82B, ARG82F, ASN81F, ASP72F, GLU210B, GLU218B, GLU74F, GLU85B, GLU85F, LEU203B, LEU209B, LEU214B, LEU222B, LEU226B, LEU77F, LYS206B, LYS37B, LYS70F, SER215B, THR217B, TYR33B, VAL225B
• C-F: ALA221C, ALA75F, ARG213C, ARG78F, ARG79F, ASP30F, ASP72F, GLU218C, HIS76F, LEU214C, LEU216C, LYS37F, SER215C, THR217C, TYR33F
• D-E: ALA105D, ALA150D, ALA152D, ALA167E, ALA169E, ALA200E, ALA202E, ALA219E, ALA221E, ALA224E, ALA230E, ALA242E, ALA59D, ALA75D, ALA86D, ARG116E, ARG130D, ARG145D, ARG145E, ARG175E, ARG199E, ARG213D, ARG213E, ARG241E, ARG244E, ARG254E, ARG69D, ARG78D, ARG79D, ARG82D, ASN81D, ASP114E, ASP136D, ASP235E, ASP62D, ASP68D, ASP72D, GLN153D, GLN227E, GLN229E, GLN232E, GLN234E, GLN61D, GLU154D, GLU192E, GLU210D, GLU210E, GLU218E, GLU223E, GLU237E, GLU238E, GLU65D, GLU74D, GLU85D, GLY113E, GLY132D, GLY138D, GLY148D, GLY148E, GLY171E, GLY196E, GLY228E, GLY231E, GLY239E, GLY67D, GLY89D, HIS174E, HIS236E, HIS76D, ILE131D, LEU111E, LEU115E, LEU117E, LEU133D, LEU139D, LEU142D, LEU142E, LEU143D, LEU143E, LEU146D, LEU146E, LEU149D, LEU149E, LEU155D, LEU156D, LEU157D, LEU158D, LEU168E, LEU170E, LEU172E, LEU189E, LEU193E, LEU203E, LEU207E, LEU208E, LEU209D, LEU209E, LEU214D, LEU214E, LEU216E, LEU21D, LEU220E, LEU222E, LEU226E, LEU63D, LEU77D, LEU87D, LEU94E, LYS151D, LYS205E, LYS206E, LYS70D, LYS92E, PHE128D, PHE141D, PHE141E, PHE243E, PHE251E, PHE66D, PRO135D, PRO144D, PRO144E, PRO160D, PRO197E, PRO249E, PRO71D, PRO93E, SER108D, SER137D, SER140D, SER159D, SER215E, SER88D, THR126D, THR198E, THR204E, THR211D, THR211E, THR217E, THR233E, THR64D, TRP112D, TRP112E, TYR201E, TYR212D, TYR212E, TYR73D, TYR80D, VAL129D, VAL134D, VAL147D, VAL147E, VAL173E, VAL225E, VAL240E, VAL83D, VAL84D, VAL95E
• D-F: ALA105F, ALA150F, ALA152F, ALA169D, ALA190D, ALA200D, ALA202D, ALA219D, ALA221D, ALA224D, ALA230D, ALA242D, ALA59F, ALA75F, ALA86F, ARG116D, ARG130F, ARG145D, ARG145F, ARG175D, ARG199D, ARG213D, ARG213F, ARG241D, ARG244D, ARG254D, ARG78F, ARG82F, ASN81F, ASP114D, ASP136F, ASP235D, ASP62F, ASP72F, GLN153F, GLN227D, GLN229D, GLN232D, GLN234D, GLN61F, GLU154F, GLU192D, GLU210D, GLU210F, GLU218D, GLU223D, GLU237D, GLU238D, GLU65F, GLU74F, GLU85F, GLY113D, GLY132F, GLY138F, GLY148D, GLY148F, GLY171D, GLY196D, GLY228D, GLY231D, GLY239D, GLY89F, HIS174D, HIS236D, HIS76F, ILE131F, LEU111D, LEU115D, LEU117D, LEU133F, LEU139F, LEU142D, LEU142F, LEU143D, LEU143F, LEU146D, LEU146F, LEU149D, LEU149F, LEU155F, LEU156F, LEU157F, LEU158F, LEU168D, LEU170D, LEU172D, LEU189D, LEU193D, LEU203D, LEU207D, LEU208D, LEU209D, LEU209F, LEU214D, LEU214F, LEU216D, LEU21F, LEU220D, LEU222D, LEU226D, LEU63F, LEU77F, LEU87F, LEU94D, LYS151F, LYS205D, LYS206D, LYS70F, LYS92D, PHE128F, PHE141D, PHE141F, PHE243D, PHE251D, PRO135F, PRO144D, PRO144F, PRO160F, PRO197D, PRO249D, PRO71F, PRO93D, SER108F, SER137F, SER140F, SER159F, SER215D, SER88F, THR126F, THR198D, THR204D, THR211D, THR211F, THR217D, THR233D, THR64F, TRP112D, TRP112F, TYR201D, TYR212D, TYR212F, TYR73F, TYR80F, VAL129F, VAL134F, VAL147D, VAL147F, VAL173D, VAL225D, VAL240D, VAL83F, VAL84F, VAL95D
• E-F: ALA105E, ALA127E, ALA150E, ALA152E, ALA167F, ALA169F, ALA200F, ALA202F, ALA219F, ALA221F, ALA224F, ALA230F, ALA242F, ALA59E, ALA75E, ALA86E, ARG116F, ARG130E, ARG145E, ARG145F, ARG175F, ARG199F, ARG213E, ARG213F, ARG241F, ARG244F, ARG254F, ARG69E, ARG78E, ARG79E, ARG82E, ASN81E, ASP114F, ASP136E, ASP235F, ASP62E, ASP68E, ASP72E, GLN153E, GLN227F, GLN229F, GLN232F, GLN234F, GLN61E, GLU154E, GLU192F, GLU210E, GLU210F, GLU218F, GLU223F, GLU237F, GLU238F, GLU65E, GLU74E, GLU85E, GLY113F, GLY132E, GLY138E, GLY148E, GLY148F, GLY171F, GLY196F, GLY228F, GLY231F, GLY239F, GLY67E, GLY89E, HIS174F, HIS236F, HIS76E, ILE131E, LEU111F, LEU115F, LEU117F, LEU133E, LEU139E, LEU142E, LEU142F, LEU143E, LEU143F, LEU146E, LEU146F, LEU149E, LEU149F, LEU155E, LEU156E, LEU157E, LEU158E, LEU168F, LEU170F, LEU172F, LEU189F, LEU193F, LEU203F, LEU207F, LEU208F, LEU209E, LEU209F, LEU214E, LEU214F, LEU216F, LEU21E, LEU220F, LEU222F, LEU226F, LEU63E, LEU77E, LEU87E, LEU94F, LYS151E, LYS205F, LYS206F, LYS70E, LYS92F, PHE128E, PHE141E, PHE141F, PHE243F, PHE251F, PHE66E, PRO135E, PRO144E, PRO144F, PRO160E, PRO197F, PRO249F, PRO71E, PRO93F, SER108E, SER137E, SER140E, SER159E, SER215F, SER88E, THR126E, THR198F, THR204F, THR211E, THR211F, THR217F, THR233F, THR64E, TRP112E, TRP112F, TYR201F, TYR212E, TYR212F, TYR73E, TYR80E, VAL129E, VAL134E, VAL147E, VAL147F, VAL173F, VAL225F, VAL240F, VAL83E, VAL84E, VAL95F