2RCV

crystal structure of the bacillus subtilis superoxide dismutase

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 92
  • Norm. En. per Res.: -3.3794
• 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	-31.1728	-24.4521	-254.711	-310.3358	92	12	3	8627	4	23	25
A-D	-6.667	1.1359	-25.6328	-31.1639	42	0	0	1606	0	13	20
A-F	-7.6177	-3.9686	-29.7542	-41.3404	32	1	0	1745	0	4	8
A-G	0.0	0.0	-0.3593	-0.3593	5	0	0	17	0	2	1
B-C	0.0	4.3291	-29.0693	-24.7402	43	0	0	1635	0	13	19
B-D	0.0	18.7425	-16.7192	2.0232	14	0	0	626	0	4	4
B-E	-8.0638	0.9117	-30.8915	-38.0435	31	3	0	1737	0	4	8
C-D	-30.0323	-23.854	-257.021	-310.9073	92	12	3	8588	4	23	24
C-E	0.0	0.0	-0.1115	-0.1115	2	0	0	8	0	2	1
C-H	-8.3199	-3.9823	-34.5054	-46.8077	32	3	0	1910	0	4	9
D-G	-7.1872	-6.013	-36.1908	-49.391	33	1	0	1945	0	4	9
E-F	-32.1522	-21.5216	-259.288	-312.9618	94	11	3	8714	4	23	25
E-H	-9.1155	5.9677	-26.7935	-29.9413	43	2	0	1774	0	11	20
F-G	0.0	7.7234	-27.7027	-19.9793	41	2	0	1649	0	13	20
F-H	0.0	19.2888	-17.2547	2.0341	16	0	0	638	0	4	4
G-H	-29.1353	-24.2525	-254.865	-308.2528	93	11	3	8626	4	23	25

Interface residues

• A-B: ALA169A, ALA169B, ALA71B, ARG126A, ARG126B, ARG177A, ARG177B, ARG178A, ARG178B, ARG73A, ARG73B, ASN148A, ASN148B, ASN173A, ASN173B, ASN176A, ASN176B, ASN33A, ASN38A, ASN38B, ASN74A, ASN74B, ASN75A, ASN75B, ASN81A, ASN81B, ASP150A, ASP150B, ASP20A, ASP20B, GLN149A, GLN149B, GLN175A, GLN175B, GLU167A, GLU167B, GLU22A, GLU22B, GLY125A, GLY125B, GLY128A, GLY128B, GLY130A, GLY130B, GLY76A, GLY76B, GLY77A, GLY77B, GLY78A, GLY78B, HIS168A, HIS168B, HIS27A, HIS27B, HIS31A, HIS31B, HIS79A, HIS79B, HIS82A, HIS82B, ILE26A, ILE26B, LEU172A, LEU172B, LYS30A, LYS30B, PHE127A, PHE127B, PRO147A, PRO147B, SER129A, SER129B, THR23A, THR23B, THR29A, THR29B, THR34A, THR34B, THR70A, THR70B, TRP166A, TRP166B, TYR170A, TYR170B, TYR171A, TYR171B, TYR174A, TYR174B, TYR35A, TYR35B, VAL165A, VAL165B
• A-D: ALA11A, ALA14D, ALA184D, ARG177D, ASN173D, ASN187D, ASN33A, ASN92D, ASP113D, ASP13A, ASP13D, ASP180D, ASP20A, GLU16D, GLU22A, GLU4A, GLU7A, GLU96D, GLY93D, GLY94D, GLY95D, HIS18D, ILE19D, ILE26A, LEU15D, LEU172A, LYS116D, LYS21A, LYS30A, MET24A, PRO179D, PRO17D, PRO91D, SER183D, SER90D, THR23A, THR25A, THR29A, TRP186D, TYR12A, TYR174D, VAL188D
• A-F: ALA42A, ALA48A, ARG69A, ASN106F, ASN46A, ASN67A, ASP113F, ASP62A, GLN118F, GLU117F, GLU142F, GLU44A, GLU66A, GLY110F, GLY45A, ILE105F, ILE68A, LEU141F, LEU49A, LYS114F, LYS140F, LYS41A, PHE109F, PHE112F, PRO65A, SER107F, SER111F, SER63A, THR47A, VAL108F, VAL43A, VAL64A
• A-G: ALA2A, GLU44A, GLU44G, GLU4A, THR47G
• B-C: ALA11C, ALA14B, ALA184B, ARG177B, ASN173B, ASN187B, ASN33C, ASN92B, ASP13B, ASP13C, ASP180B, ASP20C, GLU16B, GLU22C, GLU4C, GLU7C, GLU96B, GLY93B, GLY94B, GLY95B, HIS18B, ILE182B, ILE19B, ILE26C, LEU15B, LEU172C, LYS116B, LYS21C, LYS30C, MET24C, PHE185B, PRO179B, PRO17B, PRO91B, SER183B, THR23C, THR25C, THR29C, TRP186B, TYR12C, TYR174B, TYR181B, VAL188B
• B-D: ARG177B, ARG177D, ASN173B, ASN173D, ASN176B, ASN176D, ASP180B, ASP180D, GLN175B, GLN175D, PRO17B, PRO17D, TYR174B, TYR174D
• B-E: ALA42E, ALA48E, ARG69E, ASN106B, ASN46E, ASN67E, ASP113B, ASP62E, GLN118B, GLU117B, GLU142B, GLU44E, GLU66E, GLY110B, GLY45E, ILE105B, ILE68E, LEU49E, LYS114B, LYS140B, LYS41E, PHE109B, PHE112B, PRO65E, SER107B, SER111B, SER63E, THR47E, VAL108B, VAL43E, VAL64E
• C-D: ALA169C, ALA169D, ALA71C, ARG126C, ARG126D, ARG177C, ARG177D, ARG178C, ARG178D, ARG73C, ARG73D, ASN148C, ASN148D, ASN173C, ASN173D, ASN176C, ASN176D, ASN33C, ASN38C, ASN38D, ASN74C, ASN74D, ASN75C, ASN75D, ASN81C, ASN81D, ASP150C, ASP150D, ASP20C, ASP20D, GLN149C, GLN149D, GLN175C, GLN175D, GLU167C, GLU167D, GLU22C, GLU22D, GLY125C, GLY125D, GLY128C, GLY128D, GLY130C, GLY130D, GLY76C, GLY76D, GLY77C, GLY77D, GLY78C, GLY78D, HIS168C, HIS168D, HIS27C, HIS27D, HIS31C, HIS31D, HIS79C, HIS79D, HIS82C, HIS82D, ILE26C, ILE26D, LEU172C, LEU172D, LYS30C, LYS30D, PHE127C, PHE127D, PRO147C, PRO147D, SER129C, SER129D, THR23C, THR23D, THR29C, THR29D, THR34C, THR34D, THR70C, THR70D, TRP166C, TRP166D, TYR170C, TYR170D, TYR171C, TYR171D, TYR174C, TYR174D, TYR35C, TYR35D, VAL165C, VAL165D
• C-E: GLU44C, GLU44E
• C-H: ALA42C, ALA48C, ARG69C, ASN106H, ASN46C, ASN67C, ASP113H, ASP62C, GLN118H, GLU104H, GLU117H, GLU142H, GLU44C, GLU66C, GLY110H, GLY45C, ILE105H, ILE68C, LEU49C, LYS114H, LYS140H, LYS41C, PHE109H, PHE112H, PRO65C, SER107H, SER111H, SER63C, THR47C, VAL108H, VAL43C, VAL64C
• D-G: ALA42G, ALA48G, ARG69G, ASN106D, ASN46G, ASN67G, ASP113D, ASP62G, GLN118D, GLU104D, GLU117D, GLU142D, GLU44G, GLU66G, GLY110D, GLY45G, ILE105D, ILE68G, LEU141D, LEU49G, LYS114D, LYS140D, LYS41G, PHE109D, PHE112D, PRO65G, SER107D, SER111D, SER63G, THR47G, VAL108D, VAL43G, VAL64G
• E-F: ALA169E, ALA169F, ALA71E, ALA71F, ARG126E, ARG126F, ARG177E, ARG177F, ARG178E, ARG178F, ARG73E, ARG73F, ASN148E, ASN148F, ASN173E, ASN173F, ASN176E, ASN176F, ASN33E, ASN38E, ASN38F, ASN74E, ASN74F, ASN75E, ASN75F, ASN81E, ASN81F, ASP150E, ASP150F, ASP20E, ASP20F, GLN149E, GLN149F, GLN175E, GLN175F, GLU167E, GLU167F, GLU22E, GLU22F, GLY125E, GLY125F, GLY128E, GLY128F, GLY130E, GLY130F, GLY76E, GLY76F, GLY77E, GLY77F, GLY78E, GLY78F, HIS168E, HIS168F, HIS27E, HIS27F, HIS31E, HIS31F, HIS79E, HIS79F, HIS82E, HIS82F, ILE26E, ILE26F, LEU172E, LEU172F, LYS30E, LYS30F, PHE127E, PHE127F, PRO147E, PRO147F, SER129E, SER129F, THR23E, THR23F, THR25F, THR29E, THR29F, THR34E, THR34F, THR70E, THR70F, TRP166E, TRP166F, TYR170E, TYR170F, TYR171E, TYR171F, TYR174E, TYR174F, TYR35E, TYR35F, VAL165E, VAL165F
• E-H: ALA11E, ALA14H, ALA184H, ARG177H, ASN173H, ASN187H, ASN33E, ASN92H, ASP113H, ASP13E, ASP13H, ASP180H, ASP20E, GLU16H, GLU22E, GLU4E, GLU7E, GLU96H, GLY93H, GLY94H, GLY95H, HIS18H, ILE19H, ILE26E, LEU15H, LEU172E, LYS116H, LYS21E, LYS30E, MET24E, PHE185H, PRO179H, PRO17H, PRO91H, SER183H, SER90H, THR23E, THR25E, THR29E, TRP186H, TYR12E, TYR174H, VAL188H
• F-G: ALA11G, ALA14F, ALA184F, ARG177F, ASN173F, ASN187F, ASN33G, ASN92F, ASP13F, ASP13G, ASP180F, ASP20G, GLU16F, GLU22G, GLU7G, GLU96F, GLY93F, GLY94F, GLY95F, HIS18F, ILE182F, ILE26G, LEU15F, LEU172G, LYS116F, LYS21G, LYS30G, MET24G, PHE185F, PRO179F, PRO17F, PRO91F, SER183F, THR23G, THR25G, THR29G, TRP186F, TYR12G, TYR174F, TYR181F, VAL188F
• F-H: ARG177F, ARG177H, ASN173F, ASN173H, ASN176F, ASN176H, ASP180F, ASP180H, GLN175F, GLN175H, PRO17F, PRO17H, SER183F, SER183H, TYR174F, TYR174H
• G-H: ALA169G, ALA169H, ALA71G, ARG126G, ARG126H, ARG177G, ARG177H, ARG178G, ARG178H, ARG73G, ARG73H, ASN148G, ASN148H, ASN173G, ASN173H, ASN176G, ASN176H, ASN33G, ASN38G, ASN38H, ASN74G, ASN74H, ASN75G, ASN75H, ASN81G, ASN81H, ASP150G, ASP150H, ASP20G, ASP20H, GLN149G, GLN149H, GLN175G, GLN175H, GLU167G, GLU167H, GLU22G, GLU22H, GLY125G, GLY125H, GLY128G, GLY128H, GLY130G, GLY130H, GLY76G, GLY76H, GLY77G, GLY77H, GLY78G, GLY78H, HIS168G, HIS168H, HIS27G, HIS27H, HIS31G, HIS31H, HIS79G, HIS79H, HIS82G, HIS82H, ILE26G, ILE26H, LEU172G, LEU172H, LYS30G, LYS30H, PHE127G, PHE127H, PRO147G, PRO147H, SER129G, SER129H, THR23G, THR23H, THR25H, THR29G, THR29H, THR34G, THR34H, THR70G, THR70H, TRP166G, TRP166H, TYR170G, TYR170H, TYR171G, TYR171H, TYR174G, TYR174H, TYR35G, TYR35H, VAL165G, VAL165H