3KTH

structure of clpp from bacillus subtilis in orthorombic crystal form

• Total interactions analyzed: 21
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 126
  • Norm. En. per Res.: -3.2672
• 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	-25.4232	-71.7987	-326.155	-423.3769	132	19	12	13813	4	27	28
A-G	-30.359	-49.1029	-310.02	-389.4819	128	16	9	12950	3	24	25
B-C	-34.528	-70.2879	-306.856	-411.6719	126	10	11	12758	4	24	26
C-D	-28.3883	-70.9552	-297.54	-396.8835	126	12	11	12710	4	24	27
D-E	-26.6451	-47.988	-323.117	-397.7501	128	19	12	13349	3	25	27
E-F	-25.7891	-74.2915	-316.422	-416.5026	128	19	12	13364	4	26	28
F-G	-37.0115	-70.5059	-291.777	-399.2944	126	11	11	12549	4	28	29

Interface residues

• A-B: ALA113B, ALA132A, ALA138A, ALA176B, ALA34B, ALA40A, ALA51A, ALA52A, ALA72A, ALA75A, ALA95B, ALA96B, ARG141A, ARG170B, ARG22A, ARG22B, ASN116B, ASN172B, ASN38A, ASN41A, ASN64B, ASP169B, ASP171B, ASP18A, ASP18B, ASP26B, ASP36A, ASP37A, ASP78A, CYS91B, GLN131A, GLN46A, GLN81A, GLU118B, GLU134A, GLU136A, GLU177B, GLU178B, GLU193B, GLU53A, GLU56A, GLY130A, GLY32B, GLY67B, GLY73A, GLY93B, HIS122B, HIS191B, ILE135A, ILE137A, ILE142A, ILE188B, ILE19A, ILE19B, ILE28B, ILE29A, ILE29B, ILE35A, ILE3B, ILE43A, ILE63B, ILE70A, ILE76A, ILE7B, ILE83A, ILE90B, ILE92B, LEU114B, LEU125B, LEU144A, LEU145A, LEU149A, LEU189B, LEU192B, LEU23A, LEU23B, LEU24A, LEU31B, LEU47A, LEU48A, LEU50A, LYS140A, LYS148A, LYS151A, LYS174B, LYS25A, LYS25B, LYS84A, MET120B, MET30A, MET30B, MET74A, MET80A, MET94B, PHE101A, PHE173B, PHE49A, PHE82A, PRO115B, PRO4B, PRO55A, PRO66B, PRO85A, SER117B, SER175B, SER21A, SER21B, SER33B, SER42A, SER45A, SER60B, SER65B, SER69A, THR133A, THR190B, THR5A, THR5B, THR71A, THR79A, TYR112B, TYR17A, TYR17B, TYR20A, TYR20B, TYR62B, TYR77A, VAL119B, VAL152A, VAL39A, VAL44A, VAL6A, VAL6B
• A-G: ALA113A, ALA132G, ALA138G, ALA176A, ALA34A, ALA40G, ALA51G, ALA52G, ALA72G, ALA75G, ALA95A, ALA96A, ARG141G, ARG170A, ARG22A, ARG22G, ASN116A, ASN172A, ASN38G, ASN41G, ASN64A, ASP169A, ASP171A, ASP18A, ASP18G, ASP26A, ASP36G, ASP37G, ASP78G, CYS91A, GLN131G, GLN46G, GLN81G, GLU118A, GLU134G, GLU136G, GLU177A, GLU178A, GLU53G, GLY130G, GLY32A, GLY67A, GLY73G, GLY93A, HIS122A, HIS191A, ILE135G, ILE137G, ILE142G, ILE188A, ILE19A, ILE19G, ILE28A, ILE29A, ILE29G, ILE35G, ILE3A, ILE43G, ILE63A, ILE70G, ILE76G, ILE83G, ILE90A, ILE92A, LEU114A, LEU125A, LEU144G, LEU145G, LEU149G, LEU189A, LEU192A, LEU23A, LEU23G, LEU24G, LEU31A, LEU47G, LEU48G, LEU50G, LYS140G, LYS148G, LYS151G, LYS174A, LYS25A, LYS25G, LYS84G, MET120A, MET30A, MET30G, MET74G, MET80G, MET94A, PHE101G, PHE173A, PHE49G, PHE82G, PRO115A, PRO4A, PRO55G, PRO66A, PRO85G, SER117A, SER175A, SER21A, SER21G, SER33A, SER42G, SER45G, SER60A, SER65A, SER69G, THR133G, THR190A, THR5A, THR5G, THR71G, THR79G, TYR112A, TYR17A, TYR17G, TYR20A, TYR20G, TYR62A, TYR77G, VAL119A, VAL152G, VAL39G, VAL44G, VAL6A
• B-C: ALA113C, ALA132B, ALA138B, ALA176C, ALA34C, ALA40B, ALA51B, ALA52B, ALA72B, ALA75B, ALA95C, ALA96C, ARG141B, ARG170C, ARG22B, ARG22C, ASN116C, ASN172C, ASN38B, ASN41B, ASN64C, ASP169C, ASP171C, ASP18B, ASP18C, ASP26C, ASP36B, ASP37B, ASP78B, CYS91C, GLN131B, GLN46B, GLN81B, GLU118C, GLU134B, GLU136B, GLU177C, GLU178C, GLU53B, GLY130B, GLY32C, GLY67C, GLY73B, GLY93C, HIS191C, ILE135B, ILE137B, ILE142B, ILE188C, ILE19B, ILE19C, ILE28C, ILE29B, ILE29C, ILE3C, ILE43B, ILE63C, ILE70B, ILE76B, ILE83B, ILE90C, ILE92C, LEU114C, LEU125C, LEU144B, LEU145B, LEU149B, LEU189C, LEU192C, LEU23B, LEU23C, LEU24B, LEU31C, LEU47B, LEU48B, LEU50B, LYS140B, LYS148B, LYS151B, LYS174C, LYS25B, LYS25C, LYS84B, MET120C, MET30B, MET30C, MET74B, MET80B, MET94C, PHE101B, PHE173C, PHE49B, PHE82B, PRO115C, PRO4C, PRO55B, PRO66C, PRO85B, SER117C, SER175C, SER21B, SER21C, SER33C, SER42B, SER45B, SER60C, SER65C, SER69B, THR133B, THR190C, THR5B, THR5C, THR71B, THR79B, TYR112C, TYR17B, TYR17C, TYR20B, TYR20C, TYR62C, TYR77B, VAL119C, VAL152B, VAL39B, VAL44B, VAL6C
• C-D: ALA113D, ALA132C, ALA138C, ALA176D, ALA34D, ALA40C, ALA51C, ALA52C, ALA72C, ALA75C, ALA95D, ALA96D, ARG141C, ARG170D, ARG22C, ARG22D, ASN116D, ASN172D, ASN38C, ASN41C, ASN64D, ASP169D, ASP171D, ASP18C, ASP18D, ASP26D, ASP36C, ASP37C, ASP78C, CYS91D, GLN131C, GLN46C, GLN81C, GLU118D, GLU134C, GLU136C, GLU177D, GLU178D, GLU193D, GLU53C, GLY130C, GLY32D, GLY67D, GLY73C, GLY93D, HIS191D, ILE135C, ILE137C, ILE142C, ILE188D, ILE19C, ILE19D, ILE28D, ILE29C, ILE29D, ILE3D, ILE43C, ILE63D, ILE70C, ILE76C, ILE83C, ILE90D, ILE92D, LEU114D, LEU125D, LEU144C, LEU145C, LEU149C, LEU189D, LEU192D, LEU23C, LEU23D, LEU24C, LEU31D, LEU47C, LEU48C, LEU50C, LYS140C, LYS148C, LYS151C, LYS174D, LYS25C, LYS25D, LYS84C, MET120D, MET30C, MET30D, MET74C, MET80C, MET94D, PHE101C, PHE173D, PHE49C, PHE82C, PRO115D, PRO4D, PRO55C, PRO66D, PRO85C, SER117D, SER175D, SER21C, SER21D, SER33D, SER42C, SER45C, SER60D, SER65D, SER69C, THR133C, THR190D, THR5D, THR71C, THR79C, TYR112D, TYR17C, TYR17D, TYR20C, TYR20D, TYR62D, TYR77C, VAL119D, VAL152C, VAL39C, VAL44C, VAL6D
• D-E: ALA113E, ALA132D, ALA138D, ALA176E, ALA34E, ALA40D, ALA51D, ALA52D, ALA72D, ALA75D, ALA95E, ALA96E, ARG141D, ARG170E, ARG22D, ARG22E, ASN116E, ASN172E, ASN38D, ASN41D, ASN64E, ASP169E, ASP171E, ASP18D, ASP18E, ASP26E, ASP36D, ASP37D, ASP78D, CYS91E, GLN131D, GLN46D, GLN81D, GLU118E, GLU134D, GLU136D, GLU177E, GLU178E, GLU193E, GLU53D, GLY130D, GLY32E, GLY67E, GLY73D, GLY93E, HIS122E, HIS191E, ILE135D, ILE137D, ILE142D, ILE188E, ILE19D, ILE19E, ILE28E, ILE29D, ILE29E, ILE35D, ILE3E, ILE43D, ILE63E, ILE70D, ILE76D, ILE83D, ILE90E, ILE92E, LEU114E, LEU125E, LEU144D, LEU145D, LEU149D, LEU189E, LEU192E, LEU23D, LEU23E, LEU24D, LEU31E, LEU47D, LEU48D, LEU50D, LYS140D, LYS148D, LYS151D, LYS174E, LYS25D, LYS25E, LYS84D, MET120E, MET30D, MET30E, MET74D, MET80D, MET94E, PHE101D, PHE173E, PHE49D, PHE82D, PRO115E, PRO4E, PRO55D, PRO66E, PRO85D, SER117E, SER175E, SER21D, SER21E, SER33E, SER42D, SER45D, SER60E, SER65E, SER69D, THR133D, THR190E, THR5E, THR71D, THR79D, TYR112E, TYR17D, TYR17E, TYR20D, TYR20E, TYR62E, TYR77D, VAL119E, VAL152D, VAL39D, VAL44D, VAL6E
• E-F: ALA113F, ALA132E, ALA138E, ALA176F, ALA34F, ALA40E, ALA51E, ALA52E, ALA72E, ALA75E, ALA95F, ALA96F, ARG141E, ARG170F, ARG22E, ARG22F, ASN116F, ASN172F, ASN38E, ASN41E, ASN64F, ASP169F, ASP171F, ASP18E, ASP18F, ASP26F, ASP36E, ASP37E, ASP78E, CYS91F, GLN131E, GLN46E, GLN81E, GLU118F, GLU134E, GLU136E, GLU177F, GLU178F, GLU193F, GLU53E, GLY130E, GLY32F, GLY67F, GLY73E, GLY93F, HIS191F, ILE135E, ILE137E, ILE142E, ILE188F, ILE19E, ILE19F, ILE28F, ILE29E, ILE29F, ILE35E, ILE3F, ILE43E, ILE63F, ILE70E, ILE76E, ILE7F, ILE83E, ILE90F, ILE92F, LEU114F, LEU125F, LEU144E, LEU145E, LEU149E, LEU189F, LEU192F, LEU23E, LEU23F, LEU24E, LEU31F, LEU47E, LEU48E, LEU50E, LYS140E, LYS148E, LYS151E, LYS174F, LYS25E, LYS25F, LYS84E, MET120F, MET30E, MET30F, MET74E, MET80E, MET94F, PHE101E, PHE173F, PHE49E, PHE82E, PRO115F, PRO4F, PRO55E, PRO66F, PRO85E, SER117F, SER175F, SER21E, SER21F, SER33F, SER42E, SER45E, SER60F, SER65F, SER69E, THR133E, THR190F, THR5F, THR71E, THR79E, TYR112F, TYR17E, TYR17F, TYR20E, TYR20F, TYR62F, TYR77E, VAL119F, VAL152E, VAL39E, VAL44E, VAL6F
• F-G: ALA113G, ALA132F, ALA138F, ALA176G, ALA34G, ALA40F, ALA51F, ALA52F, ALA72F, ALA75F, ALA95G, ALA96G, ARG141F, ARG170G, ARG22F, ARG22G, ASN116G, ASN172G, ASN38F, ASN41F, ASN64G, ASP169G, ASP171G, ASP18F, ASP18G, ASP26G, ASP36F, ASP37F, ASP78F, CYS91G, GLN131F, GLN46F, GLN81F, GLU118G, GLU134F, GLU136F, GLU177G, GLU178G, GLU193G, GLU53F, GLY130F, GLY32G, GLY67G, GLY73F, GLY93G, HIS191G, ILE135F, ILE137F, ILE142F, ILE188G, ILE19F, ILE19G, ILE28G, ILE29F, ILE29G, ILE3G, ILE43F, ILE63G, ILE70F, ILE76F, ILE83F, ILE90G, ILE92G, LEU114G, LEU125G, LEU144F, LEU145F, LEU149F, LEU189G, LEU192G, LEU23G, LEU24F, LEU31G, LEU47F, LEU48F, LEU50F, LYS140F, LYS148F, LYS151F, LYS174G, LYS25F, LYS25G, LYS84F, MET120G, MET30F, MET30G, MET74F, MET80F, MET94G, PHE101F, PHE173G, PHE49F, PHE82F, PRO115G, PRO4G, PRO55F, PRO66G, PRO85F, SER117G, SER175G, SER21F, SER21G, SER33G, SER42F, SER45F, SER60G, SER65G, SER69F, THR133F, THR190G, THR5F, THR5G, THR71F, THR79F, TYR112G, TYR17F, TYR17G, TYR20F, TYR20G, TYR62G, TYR77F, VAL119G, VAL152F, VAL39F, VAL44F, VAL6G