2A7K

carboxymethylproline synthase (carb) from pectobacterium carotovora, apo enzyme

• Total interactions analyzed: 36
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 91
  • Norm. En. per Res.: -3.5618
• 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	-8.0431	-57.5346	-241.642	-307.2197	95	8	9	9589	4	10	15
A-C	-27.3641	-60.3303	-257.316	-345.0104	99	8	9	9997	4	10	16
A-I	0.0	0.0	-0.4377	-0.4377	4	0	0	80	0	6	2
B-C	-25.1296	-66.9412	-239.85	-331.9208	97	12	8	9648	4	10	14
C-F	-24.0611	-26.9373	-59.834	-110.8324	67	8	0	3259	5	59	61
C-I	0.0	-22.4024	-67.2802	-89.6826	67	2	0	3436	3	64	65
D-E	-16.8028	-55.0025	-256.065	-327.8703	96	10	8	10080	3	10	15
D-F	-39.7991	-56.5937	-249.228	-345.6208	99	15	8	9940	3	10	13
E-F	-27.0746	-61.1751	-235.873	-324.1227	91	8	8	9343	4	10	14
F-G	0.0	0.0	-0.105	-0.105	4	0	0	23	0	4	2
F-I	0.0	1.2839	-43.1959	-41.912	75	4	0	3173	3	54	63
G-H	-21.0456	-56.0061	-247.614	-324.6657	96	7	9	9951	4	10	16
G-I	-26.4178	-65.972	-241.685	-334.0748	94	11	8	9688	4	10	15
H-I	-23.8646	-63.5764	-256.502	-343.943	98	10	9	10046	4	11	14

Interface residues

• A-B: ALA142B, ALA143B, ALA200A, ALA202A, ALA209A, ALA224B, ALA227B, ARG119A, ARG168B, ARG173A, ARG173B, ARG208A, ASN176A, ASN205A, ASN211A, ASP117A, ASP171A, ASP171B, CYS138B, CYS161B, CYS169B, GLN118A, GLN155B, GLN160B, GLN162B, GLN177A, GLN191A, GLN220B, GLU131B, GLU156B, GLY135B, GLY137B, GLY141B, GLY146A, GLY146B, GLY150A, GLY150B, HIS134B, HIS149A, HIS149B, HIS229B, ILE136B, ILE144A, ILE157B, ILE158B, ILE204A, ILE215A, ILE98A, LEU114A, LEU120A, LEU132B, LEU145A, LEU145B, LEU174A, LEU174B, LEU217B, LEU91A, LYS133B, LYS207A, LYS212A, LYS68B, MET115A, MET154B, MET195A, PHE116A, PHE147A, PHE151B, PHE203A, PHE214A, PRO130B, PRO199A, PRO213A, PRO96A, SER139B, SER152B, SER197A, SER201A, SER225B, THR148A, THR153A, THR153B, THR206A, THR221B, THR97A, TYR159B, TYR172A, TYR172B, TYR198A, VAL140B, VAL170A, VAL170B, VAL175A, VAL194A, VAL210A, VAL228B
• A-C: ALA142A, ALA143A, ALA200C, ALA202C, ALA209C, ALA224A, ALA227A, ARG119C, ARG168A, ARG173A, ARG173C, ARG208C, ASN176C, ASN205C, ASN211C, ASN94C, ASP117C, ASP171A, ASP171C, CYS138A, CYS161A, CYS169A, GLN118C, GLN155A, GLN160A, GLN162A, GLN177C, GLN191C, GLU131A, GLU156A, GLY135A, GLY137A, GLY141A, GLY146A, GLY146C, GLY150A, GLY150C, HIS134A, HIS149A, HIS149C, HIS229A, ILE136A, ILE144C, ILE157A, ILE158A, ILE204C, ILE215C, ILE98C, LEU114C, LEU120C, LEU132A, LEU145A, LEU145C, LEU164A, LEU174A, LEU174C, LEU217A, LEU91C, LYS133A, LYS207C, LYS212C, LYS230A, LYS68A, LYS95C, MET115C, MET129A, MET154A, MET195C, PHE116C, PHE147C, PHE151A, PHE203C, PHE214C, PRO130A, PRO199C, PRO213C, PRO96C, SER139A, SER152A, SER197C, SER201C, SER225A, THR148C, THR153A, THR153C, THR206C, THR221A, THR97C, TYR159A, TYR172A, TYR172C, TYR198C, VAL140A, VAL170A, VAL170C, VAL175C, VAL194C, VAL210C, VAL228A
• A-I: ALA227A, ALA54I, GLU55I, LYS230A
• B-C: ALA142C, ALA143C, ALA200B, ALA202B, ALA209B, ALA224C, ALA227C, ALA231C, ALA232C, ARG119B, ARG168C, ARG173B, ARG173C, ARG208B, ASN176B, ASN205B, ASN211B, ASP117B, ASP171B, ASP171C, CYS138C, CYS161C, CYS169C, GLN118B, GLN155C, GLN160C, GLN162C, GLN177B, GLN191B, GLN220C, GLU131C, GLU156C, GLY135C, GLY137C, GLY141C, GLY146B, GLY146C, GLY150B, GLY150C, HIS134C, HIS149B, HIS149C, HIS229C, ILE136C, ILE144B, ILE157C, ILE158C, ILE204B, ILE215B, ILE98B, LEU114B, LEU120B, LEU132C, LEU145B, LEU164C, LEU174B, LEU174C, LEU217C, LEU91B, LYS133C, LYS207B, LYS212B, LYS68C, MET115B, MET154C, MET195B, PHE116B, PHE147B, PHE151C, PHE203B, PHE214B, PRO130C, PRO199B, PRO213B, PRO96B, SER139C, SER152C, SER197B, SER201B, SER225C, THR148B, THR153B, THR153C, THR206B, THR221C, THR97B, TYR159C, TYR172B, TYR172C, TYR198B, VAL140C, VAL170B, VAL170C, VAL175B, VAL194B, VAL210B, VAL228C
• C-F: ALA35C, ALA37F, ALA41F, ARG11C, ARG208F, ARG222F, ARG26C, ARG26F, ARG38C, ARG38F, ARG72C, ARG72F, ARG82C, ARG82F, ASN19C, ASN40F, ASN6C, ASN92F, ASN94F, ASP16C, ASP223F, ASP34C, ASP34F, ASP42C, ASP42F, ASP43F, ASP75C, ASP75F, ASP81F, ASP85F, GLN220F, GLN69C, GLN88F, GLU219F, GLU4C, GLU5C, GLU66C, GLU74C, GLU74F, GLU77F, GLU78C, GLU78F, HIS17C, HIS216F, ILE215F, ILE76C, ILE76F, ILE80F, ILE84F, LEU28C, LEU36F, LEU70C, LYS212F, LYS226F, LYS33F, MET1C, PHE3C, PRO18C, SER25C, SER31C, SER71C, SER73C, SER73F, THR27C, THR30C, TRP79F, VAL2C
• C-I: ALA37C, ALA41C, ALA89C, ARG11I, ARG208C, ARG222C, ARG26I, ARG38C, ARG38I, ARG56I, ARG72C, ARG72I, ARG82C, ARG82I, ASN19I, ASN40C, ASN65I, ASN92C, ASN94C, ASP16I, ASP223C, ASP34C, ASP34I, ASP42I, ASP63I, ASP75I, ASP81C, ASP85C, GLN220C, GLN234C, GLN69I, GLN88C, GLU219C, GLU4I, GLU5I, GLU66I, GLU74C, GLU74I, GLU77C, GLU78C, GLU78I, HIS17I, HIS216C, ILE215C, ILE84C, LEU217C, LEU218C, LEU28I, LEU70I, LEU86C, LYS20I, LYS212C, LYS226C, LYS230C, LYS33C, MET1I, PHE3I, PRO18I, PRO213C, PRO23I, SER25I, SER31I, SER73I, THR14I, THR27I, THR30I, VAL2I
• D-E: ALA142E, ALA143E, ALA200D, ALA202D, ALA209D, ALA224E, ALA227E, ALA232E, ARG119D, ARG168E, ARG173D, ARG173E, ARG208D, ASN176D, ASN205D, ASN211D, ASP117D, ASP171D, ASP171E, CYS138E, CYS161E, CYS169E, GLN118D, GLN155E, GLN160E, GLN162E, GLN177D, GLN191D, GLN220E, GLU131E, GLU156E, GLY135E, GLY137E, GLY141E, GLY146D, GLY146E, GLY150D, GLY150E, HIS134E, HIS149D, HIS149E, HIS229E, ILE136E, ILE144D, ILE157E, ILE158E, ILE204D, ILE215D, ILE98D, LEU114D, LEU120D, LEU132E, LEU145D, LEU164E, LEU174D, LEU174E, LEU217E, LEU91D, LYS133E, LYS207D, LYS212D, LYS68E, MET115D, MET154E, MET195D, PHE116D, PHE147D, PHE151E, PHE203D, PHE214D, PRO130E, PRO199D, PRO213D, PRO96D, SER139E, SER152E, SER197D, SER201D, SER225E, THR148D, THR153D, THR153E, THR206D, THR221E, THR97D, TYR159E, TYR172D, TYR172E, TYR198D, VAL140E, VAL170D, VAL170E, VAL175D, VAL194D, VAL210D, VAL228E
• D-F: ALA142D, ALA143D, ALA200F, ALA202F, ALA209F, ALA224D, ALA227D, ARG119F, ARG168D, ARG173D, ARG173F, ARG208F, ASN176F, ASN205F, ASN211F, ASN94F, ASP117F, ASP171D, ASP171F, CYS138D, CYS161D, CYS169D, GLN118F, GLN155D, GLN160D, GLN162D, GLN177F, GLN191F, GLU131D, GLU156D, GLY135D, GLY137D, GLY141D, GLY146D, GLY146F, GLY150D, GLY150F, HIS134D, HIS149D, HIS149F, HIS229D, ILE136D, ILE144F, ILE157D, ILE158D, ILE204F, ILE215F, ILE98F, LEU114F, LEU120F, LEU132D, LEU145D, LEU145F, LEU164D, LEU174D, LEU174F, LEU217D, LEU91F, LYS133D, LYS207F, LYS212F, LYS68D, LYS95F, MET115F, MET129D, MET154D, MET195F, PHE116F, PHE147F, PHE151D, PHE203F, PHE214F, PRO130D, PRO199F, PRO213F, PRO96F, SER139D, SER152D, SER197F, SER201F, SER225D, THR148F, THR153D, THR153F, THR206F, THR221D, THR97F, TYR159D, TYR172D, TYR172F, TYR198F, VAL140D, VAL170D, VAL170F, VAL175F, VAL194F, VAL210F, VAL228D, VAL93F
• E-F: ALA142F, ALA143F, ALA200E, ALA202E, ALA209E, ALA224F, ARG119E, ARG168F, ARG173E, ARG173F, ARG208E, ASN176E, ASN205E, ASN211E, ASP117E, ASP171E, ASP171F, CYS138F, CYS161F, CYS169F, GLN118E, GLN155F, GLN160F, GLN162F, GLN177E, GLN191E, GLU131F, GLU156F, GLY135F, GLY137F, GLY141F, GLY146E, GLY146F, GLY150E, GLY150F, HIS134F, HIS149E, HIS149F, ILE136F, ILE144E, ILE157F, ILE158F, ILE204E, ILE215E, ILE98E, LEU114E, LEU120E, LEU132F, LEU145E, LEU164F, LEU174E, LEU174F, LEU217F, LEU91E, LYS133F, LYS207E, LYS212E, LYS68F, MET115E, MET154F, MET195E, PHE116E, PHE147E, PHE151F, PHE203E, PHE214E, PRO130F, PRO199E, PRO213E, PRO96E, SER139F, SER152F, SER197E, SER201E, SER225F, THR148E, THR153E, THR153F, THR206E, THR221F, THR97E, TYR159F, TYR172E, TYR172F, TYR198E, VAL140F, VAL170E, VAL170F, VAL175E, VAL194E, VAL210E
• F-G: ALA227G, ALA54F, GLU55F, LYS230G
• F-I: ALA35F, ALA37I, ALA39I, ALA41I, ALA89I, ARG11F, ARG208I, ARG222I, ARG26F, ARG26I, ARG38F, ARG38I, ARG56F, ARG72F, ARG72I, ARG82F, ARG82I, ASN19F, ASN40I, ASN6F, ASN92I, ASN94I, ASP16F, ASP223I, ASP34F, ASP34I, ASP42F, ASP42I, ASP43I, ASP63F, ASP75F, ASP75I, ASP81I, ASP85I, GLN220I, GLN69F, GLN88I, GLU219I, GLU4F, GLU5F, GLU66F, GLU74I, GLU77I, GLU78F, GLU78I, GLY53F, HIS17F, HIS216I, ILE204I, ILE215I, ILE84I, LEU15F, LEU217I, LEU218I, LEU28F, LEU36I, LEU70F, LEU86I, LYS212I, LYS226I, LYS33I, MET1F, PHE3F, PRO18F, PRO23F, SER25F, SER31F, SER44F, SER71F, THR14F, THR27F, THR30F, THR30I, TRP79I, VAL2F
• G-H: ALA113G, ALA142H, ALA143H, ALA200G, ALA202G, ALA209G, ALA224H, ALA227H, ALA231H, ARG119G, ARG168H, ARG173G, ARG173H, ARG208G, ASN176G, ASN205G, ASN211G, ASP117G, ASP171G, ASP171H, CYS138H, CYS161H, CYS169H, GLN118G, GLN155H, GLN160H, GLN162H, GLN177G, GLN191G, GLU131H, GLU156H, GLY135H, GLY137H, GLY141H, GLY146G, GLY146H, GLY150G, GLY150H, HIS134H, HIS149G, HIS149H, HIS229H, ILE136H, ILE144G, ILE157H, ILE158H, ILE204G, ILE215G, ILE98G, LEU114G, LEU120G, LEU132H, LEU145G, LEU164H, LEU174G, LEU174H, LEU217H, LEU91G, LYS133H, LYS207G, LYS212G, LYS68H, MET115G, MET154H, MET195G, PHE116G, PHE147G, PHE151H, PHE203G, PHE214G, PRO130H, PRO199G, PRO213G, PRO96G, SER139H, SER152H, SER197G, SER201G, SER225H, THR148G, THR153G, THR153H, THR206G, THR221H, THR97G, TYR159H, TYR172G, TYR172H, TYR198G, VAL140H, VAL170G, VAL170H, VAL175G, VAL194G, VAL210G, VAL228H
• G-I: ALA142G, ALA143G, ALA200I, ALA202I, ALA209I, ALA224G, ARG119I, ARG168G, ARG173G, ARG173I, ARG208I, ASN176I, ASN205I, ASN211I, ASP117I, ASP171G, ASP171I, CYS138G, CYS161G, CYS169G, GLN118I, GLN155G, GLN160G, GLN162G, GLN177I, GLN191I, GLU131G, GLU156G, GLY135G, GLY137G, GLY141G, GLY146G, GLY146I, GLY150G, GLY150I, HIS134G, HIS149G, HIS149I, HIS229G, ILE136G, ILE144I, ILE157G, ILE158G, ILE204I, ILE215I, ILE98I, LEU114I, LEU120I, LEU132G, LEU145G, LEU145I, LEU164G, LEU174G, LEU174I, LEU217G, LEU91I, LYS133G, LYS207I, LYS212I, LYS68G, MET115I, MET154G, MET195I, PHE116I, PHE147I, PHE151G, PHE203I, PHE214I, PRO130G, PRO199I, PRO213I, PRO96I, SER139G, SER152G, SER197I, SER201I, SER225G, THR148I, THR153G, THR153I, THR206I, THR221G, THR97I, TYR159G, TYR172G, TYR172I, TYR198I, VAL140G, VAL170G, VAL170I, VAL175I, VAL194I, VAL210I, VAL228G
• H-I: ALA142I, ALA143I, ALA200H, ALA202H, ALA209H, ALA224I, ALA227I, ARG119H, ARG168I, ARG173H, ARG173I, ARG208H, ASN176H, ASN205H, ASN211H, ASN94H, ASP117H, ASP171H, ASP171I, CYS138I, CYS161I, CYS169I, GLN118H, GLN155I, GLN160I, GLN162I, GLN177H, GLN191H, GLU131I, GLU156I, GLY135I, GLY137I, GLY141I, GLY146H, GLY146I, GLY150H, GLY150I, HIS134I, HIS149H, HIS149I, HIS229I, ILE136I, ILE144H, ILE157I, ILE158I, ILE204H, ILE215H, ILE98H, LEU114H, LEU120H, LEU132I, LEU145H, LEU174H, LEU174I, LEU217I, LEU91H, LYS133I, LYS207H, LYS212H, LYS68I, LYS95H, MET115H, MET129I, MET154I, MET195H, PHE116H, PHE147H, PHE151I, PHE203H, PHE214H, PRO130I, PRO167I, PRO199H, PRO213H, PRO96H, SER139I, SER152I, SER197H, SER201H, SER225I, THR148H, THR153H, THR153I, THR206H, THR221I, THR97H, TYR159I, TYR172H, TYR172I, TYR198H, VAL140I, VAL170H, VAL170I, VAL175H, VAL194H, VAL210H, VAL228I, VAL67I