3A6J

e122q mutant creatininase complexed with creatine

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 150
  • Norm. En. per Res.: -4.9564
• Hub Node: A(4)

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	-209.1685	-95.6039	-438.688	-743.4604	150	24	17	16558	22	28	43
A-C	0.0	20.0275	-43.7044	-23.6769	25	0	2	1477	0	11	14
A-E	0.0	23.6403	-44.792	-21.1517	25	2	2	1581	0	11	14
A-F	-145.3004	7.9021	-648.506	-785.9043	183	18	2	22977	4	53	55
B-C	-158.4595	8.6255	-655.334	-805.1681	185	16	2	23161	4	54	52
B-D	0.0	24.0489	-38.0816	-14.0327	24	2	2	1325	0	11	13
B-F	0.0	23.4434	-41.387	-17.9436	24	1	2	1391	0	11	13
C-D	-202.8404	-82.6762	-432.35	-717.8666	151	19	17	16224	22	28	43
C-E	-6.1521	22.6096	-42.6608	-26.2033	24	1	2	1447	0	11	13
D-E	-151.1642	-0.3483	-654.208	-805.7205	185	17	2	23022	4	54	52
D-F	0.0	23.6131	-43.1874	-19.5743	24	2	2	1508	0	11	13
E-F	-208.5239	-87.475	-436.893	-732.8919	153	23	17	16448	21	28	43

Interface residues

• A-B: ALA134A, ALA134B, ALA252A, ALA252B, ALA93A, ALA93B, ARG112A, ARG112B, ARG136A, ARG136B, ARG139A, ARG139B, ARG220A, ARG220B, ASN123A, ASN123B, ASN82A, ASN82B, ASP132A, ASP132B, ASP145A, ASP145B, ASP155A, ASP155B, ASP212A, ASP212B, ASP217A, ASP217B, ASP251A, ASP251B, ASP91A, ASP91B, GLN122A, GLN122B, GLN144A, GLN144B, GLN75A, GLN75B, GLN76A, GLN76B, GLU129A, GLU129B, GLU255A, GLU255B, GLU256A, GLU256B, GLY130A, GLY130B, GLY248A, GLY248B, GLY92A, GLY92B, ILE103A, ILE103B, ILE127A, ILE127B, ILE131A, ILE131B, ILE143A, ILE143B, ILE249A, ILE249B, ILE253A, ILE253B, LEU114A, LEU114B, LEU116A, LEU116B, LEU133A, LEU133B, LEU135A, LEU135B, LEU138A, LEU138B, LEU151A, LEU151B, LEU90A, LEU90B, LEU95A, LEU95B, LYS147A, LYS147B, LYS158A, LYS158B, LYS73A, LYS73B, LYS77A, LYS77B, MET125A, MET125B, PHE126A, PHE126B, PHE146A, PHE146B, PHE156A, PHE156B, PHE208A, PHE208B, PHE214A, PHE214B, PHE257A, PHE257B, PRO209A, PRO209B, PRO210A, PRO210B, PRO215A, PRO215B, SER124A, SER124B, SER152A, SER152B, SER74A, SER74B, SER78A, SER78B, SER89A, SER89B, THR207A, THR207B, THR94A, THR94B, THR96A, THR96B, TRP154A, TRP154B, TYR121A, TYR121B, TYR153A, TYR153B, TYR211A, TYR211B, TYR72A, TYR72B, VAL115A, VAL115B, VAL128A, VAL128B, VAL148A, VAL148B, VAL149A, VAL149B, VAL150A, VAL150B, VAL157A, VAL157B, VAL213A, VAL213B, VAL216A, VAL216B
• A-C: ALA134C, ALA141A, ALA141C, ARG104C, ARG108C, ARG136A, ARG136C, ARG139A, ARG139C, ASP101C, ASP132A, GLN100C, GLN144A, GLU105C, GLU129A, GLU137A, GLU137C, GLY142A, GLY142C, ILE143C, LEU133A, LEU133C, LEU138C, TYR140A, TYR140C
• A-E: ALA134A, ALA141A, ALA141E, ARG104A, ARG108A, ARG136A, ARG136E, ARG139A, ARG139E, ASP101A, ASP132E, GLN100A, GLN144E, GLU105A, GLU129E, GLU137A, GLU137E, GLY142A, GLY142E, ILE143A, LEU133A, LEU133E, LEU138A, TYR140A, TYR140E
• A-F: ALA107A, ALA107F, ALA111A, ALA111F, ALA17A, ALA17F, ALA20A, ALA223A, ALA223F, ALA32A, ALA32F, ALA93A, ALA93F, ARG104A, ARG104F, ARG108A, ARG108F, ARG199A, ARG199F, ASN43A, ASN43F, ASN82A, ASN82F, ASP101A, ASP101F, ASP193A, ASP193F, ASP196A, ASP196F, ASP91A, ASP91F, CYS41A, CYS41F, GLN100A, GLN100F, GLN35A, GLN35F, GLN69A, GLN69F, GLU105A, GLU105F, GLU137A, GLU137F, GLU14A, GLU14F, GLU16A, GLU16F, GLU34A, GLU34F, GLU9A, GLU9F, GLY110A, GLY110F, GLY225A, GLY225F, GLY37A, GLY37F, GLY67A, GLY67F, GLY71A, GLY71F, GLY81A, GLY81F, GLY86A, GLY86F, GLY8A, GLY8F, GLY92A, GLY92F, GLY97A, GLY97F, HIS109A, HIS109F, HIS178A, HIS178F, HIS36A, HIS36F, HIS38A, HIS38F, HIS39A, HIS39F, HIS83A, HIS83F, ILE102A, ILE102F, ILE103A, ILE103F, LEU106A, LEU106F, LEU10A, LEU10F, LEU194A, LEU194F, LEU26A, LEU26F, LEU28A, LEU28F, LEU33A, LEU33F, LEU47A, LEU47F, LEU63A, LEU63F, LEU68A, LEU68F, LEU90A, LEU90F, LEU95A, LEU95F, LYS13A, LYS13F, LYS73A, LYS73F, MET187A, MET187F, MET27A, MET27F, MET40A, MET40F, MET42A, MET42F, MET65A, MET65F, PHE6A, PHE6F, PHE84A, PHE84F, PRO222A, PRO222F, PRO224A, PRO224F, PRO29A, PRO29F, PRO66A, PRO66F, PRO85A, PRO85F, SER4A, SER4F, SER74A, SER74F, SER89A, SER89F, THR11A, THR11F, THR226A, THR226F, THR87A, THR87F, THR88A, THR88F, THR94A, THR94F, THR96A, THR96F, THR98A, THR98F, TRP12A, TRP12F, TYR15A, TYR15F, TYR191A, TYR191F, TYR70A, TYR70F, VAL195A, VAL195F, VAL19A, VAL19F, VAL201A, VAL201F, VAL216A, VAL216F, VAL44A, VAL44F, VAL46A, VAL46F, VAL64A, VAL64F, VAL7A, VAL7F, VAL99A, VAL99F
• B-C: ALA107B, ALA107C, ALA111B, ALA111C, ALA17B, ALA17C, ALA223B, ALA223C, ALA32B, ALA32C, ALA93B, ALA93C, ARG104B, ARG104C, ARG108B, ARG108C, ARG199B, ARG199C, ASN43B, ASN43C, ASN82B, ASN82C, ASP101B, ASP101C, ASP193B, ASP193C, ASP196B, ASP196C, ASP91B, ASP91C, CYS41B, CYS41C, GLN100B, GLN100C, GLN35B, GLN35C, GLN69B, GLN69C, GLU105B, GLU105C, GLU137B, GLU137C, GLU14B, GLU14C, GLU16B, GLU16C, GLU34B, GLU34C, GLU9B, GLU9C, GLY110B, GLY110C, GLY225B, GLY225C, GLY37B, GLY37C, GLY67B, GLY67C, GLY71B, GLY71C, GLY81B, GLY81C, GLY86B, GLY86C, GLY8B, GLY8C, GLY92B, GLY92C, GLY97B, GLY97C, HIS109B, HIS109C, HIS178B, HIS178C, HIS36B, HIS36C, HIS38B, HIS38C, HIS39B, HIS39C, HIS83B, HIS83C, ILE102B, ILE102C, ILE103B, ILE103C, LEU106B, LEU106C, LEU10B, LEU10C, LEU194B, LEU194C, LEU26B, LEU26C, LEU28B, LEU28C, LEU33B, LEU33C, LEU47B, LEU47C, LEU63B, LEU63C, LEU68B, LEU68C, LEU90B, LEU90C, LEU95B, LEU95C, LYS13B, LYS13C, LYS3B, LYS3C, LYS73B, LYS73C, MET187B, MET187C, MET27B, MET27C, MET40B, MET40C, MET42B, MET42C, MET65B, MET65C, PHE6B, PHE6C, PHE84B, PHE84C, PRO222B, PRO222C, PRO224B, PRO224C, PRO29B, PRO29C, PRO66B, PRO66C, PRO85B, PRO85C, SER4B, SER4C, SER74B, SER74C, SER89B, SER89C, THR11B, THR11C, THR226B, THR226C, THR87B, THR87C, THR88B, THR88C, THR94B, THR94C, THR96B, THR96C, THR98B, THR98C, TRP12B, TRP12C, TYR15B, TYR15C, TYR191C, TYR70B, TYR70C, VAL195B, VAL195C, VAL19B, VAL19C, VAL201B, VAL201C, VAL216B, VAL216C, VAL30B, VAL30C, VAL44B, VAL44C, VAL46B, VAL46C, VAL64B, VAL64C, VAL7B, VAL7C, VAL99B, VAL99C
• B-D: ALA134B, ALA141B, ALA141D, ARG104B, ARG108B, ARG136B, ARG136D, ARG139B, ARG139D, ASP101B, ASP132D, GLN100B, GLU105B, GLU129D, GLU137B, GLU137D, GLY142B, GLY142D, ILE143B, LEU133B, LEU133D, LEU138B, TYR140B, TYR140D
• B-F: ALA134F, ALA141B, ALA141F, ARG104F, ARG108F, ARG136B, ARG136F, ARG139B, ARG139F, ASP101F, ASP132B, GLN100F, GLU105F, GLU129B, GLU137B, GLU137F, GLY142B, GLY142F, ILE143F, LEU133B, LEU133F, LEU138F, TYR140B, TYR140F
• C-D: ALA134C, ALA134D, ALA252C, ALA252D, ALA93C, ALA93D, ARG112C, ARG112D, ARG136C, ARG136D, ARG139C, ARG139D, ARG220C, ARG220D, ASN123C, ASN123D, ASN82C, ASN82D, ASP132C, ASP132D, ASP145C, ASP145D, ASP155C, ASP155D, ASP212C, ASP212D, ASP217C, ASP217D, ASP251C, ASP251D, ASP91C, ASP91D, GLN122C, GLN122D, GLN144C, GLN144D, GLN75C, GLN75D, GLN76C, GLN76D, GLU129C, GLU129D, GLU255C, GLU255D, GLU256C, GLU256D, GLY130C, GLY130D, GLY248C, GLY248D, GLY92C, GLY92D, HIS83C, ILE103C, ILE103D, ILE127C, ILE127D, ILE131C, ILE131D, ILE143C, ILE143D, ILE249C, ILE249D, ILE253C, ILE253D, LEU114C, LEU114D, LEU116C, LEU116D, LEU133C, LEU133D, LEU135C, LEU135D, LEU138C, LEU138D, LEU151C, LEU151D, LEU90C, LEU90D, LEU95C, LEU95D, LYS147C, LYS147D, LYS158C, LYS158D, LYS73C, LYS73D, LYS77C, LYS77D, MET125C, MET125D, PHE126C, PHE126D, PHE146C, PHE146D, PHE156C, PHE156D, PHE208C, PHE208D, PHE214C, PHE214D, PHE257C, PHE257D, PRO209C, PRO209D, PRO210C, PRO210D, PRO215C, PRO215D, SER124C, SER124D, SER152C, SER152D, SER74C, SER74D, SER78C, SER78D, SER89C, SER89D, THR207C, THR207D, THR94C, THR94D, THR96C, THR96D, TRP154C, TRP154D, TYR121C, TYR121D, TYR153C, TYR153D, TYR211C, TYR211D, TYR72C, TYR72D, VAL115C, VAL115D, VAL128C, VAL128D, VAL148C, VAL148D, VAL149C, VAL149D, VAL150C, VAL150D, VAL157C, VAL157D, VAL213C, VAL213D, VAL216C, VAL216D
• C-E: ALA134E, ALA141C, ALA141E, ARG104E, ARG108E, ARG136C, ARG136E, ARG139C, ARG139E, ASP101E, ASP132C, GLN100E, GLU105E, GLU129C, GLU137C, GLU137E, GLY142C, GLY142E, ILE143E, LEU133C, LEU133E, LEU138E, TYR140C, TYR140E
• D-E: ALA107D, ALA107E, ALA111D, ALA111E, ALA17D, ALA17E, ALA20E, ALA223D, ALA223E, ALA32D, ALA32E, ALA93D, ALA93E, ARG104D, ARG104E, ARG108D, ARG108E, ARG199D, ARG199E, ASN43D, ASN43E, ASN82D, ASN82E, ASP101D, ASP101E, ASP193D, ASP193E, ASP196D, ASP196E, ASP91D, ASP91E, CYS41D, CYS41E, GLN100D, GLN100E, GLN35D, GLN35E, GLN69D, GLN69E, GLU105D, GLU105E, GLU137D, GLU137E, GLU14D, GLU14E, GLU16D, GLU16E, GLU34D, GLU34E, GLU9D, GLU9E, GLY110D, GLY110E, GLY225D, GLY225E, GLY37D, GLY37E, GLY67D, GLY67E, GLY71D, GLY71E, GLY81D, GLY81E, GLY86D, GLY86E, GLY8D, GLY8E, GLY92D, GLY92E, GLY97D, GLY97E, HIS109D, HIS109E, HIS178D, HIS178E, HIS36D, HIS36E, HIS38D, HIS38E, HIS39D, HIS39E, HIS83D, HIS83E, ILE102D, ILE102E, ILE103D, ILE103E, LEU106D, LEU106E, LEU10D, LEU10E, LEU114D, LEU194D, LEU194E, LEU26D, LEU26E, LEU28D, LEU28E, LEU33D, LEU33E, LEU47D, LEU47E, LEU63D, LEU63E, LEU68D, LEU68E, LEU90D, LEU90E, LEU95D, LEU95E, LYS13D, LYS13E, LYS3E, LYS73D, LYS73E, MET187D, MET187E, MET27D, MET27E, MET40D, MET40E, MET42D, MET42E, MET65D, MET65E, PHE6D, PHE6E, PHE84D, PHE84E, PRO222D, PRO222E, PRO224D, PRO224E, PRO29D, PRO29E, PRO66D, PRO66E, PRO85D, PRO85E, SER4D, SER4E, SER74D, SER74E, SER89D, SER89E, THR11D, THR11E, THR226D, THR226E, THR87D, THR87E, THR88D, THR88E, THR94D, THR94E, THR96D, THR96E, THR98D, THR98E, TRP12D, TRP12E, TYR15D, TYR15E, TYR191D, TYR191E, TYR70D, TYR70E, VAL195D, VAL195E, VAL19D, VAL19E, VAL201D, VAL201E, VAL216D, VAL216E, VAL44D, VAL44E, VAL46D, VAL46E, VAL64D, VAL64E, VAL7D, VAL7E, VAL99D, VAL99E
• D-F: ALA134D, ALA141D, ALA141F, ARG104D, ARG108D, ARG136D, ARG136F, ARG139D, ARG139F, ASP101D, ASP132F, GLN100D, GLU105D, GLU129F, GLU137D, GLU137F, GLY142D, GLY142F, ILE143D, LEU133D, LEU133F, LEU138D, TYR140D, TYR140F
• E-F: ALA134E, ALA134F, ALA252E, ALA252F, ALA93E, ALA93F, ARG112E, ARG112F, ARG136E, ARG136F, ARG139E, ARG139F, ARG220E, ARG220F, ARG254F, ASN123E, ASN123F, ASN82E, ASN82F, ASP132E, ASP132F, ASP145E, ASP145F, ASP155E, ASP155F, ASP212E, ASP212F, ASP217E, ASP217F, ASP251E, ASP251F, ASP91E, ASP91F, GLN122E, GLN122F, GLN144E, GLN144F, GLN75E, GLN75F, GLN76E, GLN76F, GLU129E, GLU129F, GLU255E, GLU255F, GLU256E, GLU256F, GLY130E, GLY130F, GLY248E, GLY248F, GLY92E, GLY92F, HIS120E, HIS83E, ILE103E, ILE103F, ILE127E, ILE127F, ILE131E, ILE131F, ILE143E, ILE143F, ILE249E, ILE249F, ILE253E, ILE253F, LEU114E, LEU114F, LEU116E, LEU116F, LEU133E, LEU133F, LEU135E, LEU135F, LEU138E, LEU138F, LEU151E, LEU151F, LEU90E, LEU90F, LEU95E, LEU95F, LYS147E, LYS147F, LYS158E, LYS158F, LYS73E, LYS73F, LYS77E, LYS77F, MET125E, MET125F, PHE126E, PHE126F, PHE146E, PHE146F, PHE156E, PHE156F, PHE208E, PHE208F, PHE214E, PHE214F, PHE257E, PHE257F, PRO209E, PRO209F, PRO210E, PRO210F, PRO215E, PRO215F, SER124E, SER124F, SER152E, SER152F, SER74E, SER74F, SER78E, SER78F, SER89E, SER89F, THR207E, THR207F, THR94E, THR94F, THR96E, THR96F, TRP154E, TRP154F, TYR121E, TYR121F, TYR153E, TYR153F, TYR211E, TYR211F, TYR72E, TYR72F, VAL115E, VAL115F, VAL128E, VAL128F, VAL148E, VAL148F, VAL149E, VAL149F, VAL150E, VAL150F, VAL157E, VAL157F, VAL213E, VAL213F, VAL216E, VAL216F