1MA1

structure and properties of the atypical iron superoxide dismutase from methanobacterium thermoautotrophicum

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 89
  • Norm. En. per Res.: -5.7816
• 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	-102.9354	-154.714	-256.914	-514.5634	89	28	1	9106	12	53	49
A-C	0.0	-4.5376	-5.4237	-9.9612	9	0	0	284	0	6	6
A-E	-8.4575	-7.317	-25.3681	-41.1426	27	5	0	1367	1	21	24
B-C	0.0	-11.2114	-3.68	-14.8913	25	0	0	455	0	17	26
B-E	0.0	0.0	-0.0829	-0.0829	9	0	0	27	0	4	5
C-D	-91.9545	-152.3069	-239.081	-483.3424	88	23	1	8700	12	52	48
C-E	-130.1087	-195.6478	-752.381	-1078.1375	211	50	14	31246	18	90	114
C-F	-10.7894	10.3674	-20.732	-21.1539	34	2	1	1501	2	16	23
D-E	-13.221	8.78	-19.058	-23.499	33	2	1	1459	2	16	23
D-F	-126.8404	-197.3167	-736.737	-1060.8941	211	55	14	31518	18	91	113
E-F	-89.4575	-150.911	-243.311	-483.6795	88	23	1	8784	12	52	48

Interface residues

• A-B: ALA126A, ALA126B, ALA171A, ALA171B, ALA39A, ALA39B, ALA65A, ALA65B, ARG177A, ARG177B, ARG180A, ARG180B, ASN152A, ASN152B, ASN154A, ASN154B, ASN178A, ASN178B, ASP175A, ASP175B, GLN147A, GLN147B, GLN28A, GLN28B, GLN34A, GLN34B, GLN38A, GLN38B, GLU127A, GLU127B, GLU149A, GLU149B, GLU169A, GLU169B, GLU27A, GLU27B, GLU69A, GLU69B, GLY128A, GLY128B, GLY130A, GLY130B, HIS151A, HIS151B, HIS170A, HIS170B, HIS32A, HIS32B, HIS36A, HIS36B, HIS73A, HIS73B, ILE174A, ILE174B, ILE31A, ILE31B, LEU70A, LEU70B, LYS150A, LYS150B, LYS35A, LYS35B, LYS68A, LYS68B, PHE72A, PHE72B, SER125A, SER125B, SER129A, SER129B, SER25B, SER71A, SER71B, TRP168A, TRP168B, TYR172A, TYR172B, TYR173A, TYR173B, TYR176A, TYR176B, TYR40A, TYR40B, VAL153A, VAL153B, VAL167A, VAL167B, VAL179A, VAL179B
• A-C: ARG26A, GLU27A, GLU4C, ILE174A, ILE31A, LYS35A, LYS5C, LYS6C, THR30A
• A-E: ALA102E, ALA39A, ARG26A, ASP141E, ASP42A, GLN34A, GLN38A, GLU103E, GLU106E, GLU12A, GLU201E, GLU9A, GLY99E, HIS33A, LEU10A, LEU204E, LYS100E, LYS107E, LYS194E, LYS35A, PHE200E, SER98E, THR30A, TYR104E, TYR136E, TYR17A, VAL41A
• B-C: ALA90B, ARG116B, ARG177B, ASN178B, ASN189B, ASP175B, ASP182B, ASP91B, GLU113B, GLU12C, GLU185B, GLU21B, GLU4C, GLU9C, HIS23B, LEU10C, LYS117B, LYS194C, LYS198C, LYS6C, PRO11C, PRO14C, PRO22B, TYR176B, VAL179B
• B-E: ARG139E, ASN178B, ASP141E, ASP182B, GLN138E, GLU185B, LYS100E, TYR104E, VAL179B
• C-D: ALA126C, ALA126D, ALA171C, ALA171D, ALA39C, ALA39D, ALA65C, ALA65D, ARG177C, ARG177D, ARG180C, ARG180D, ASN152C, ASN152D, ASN154C, ASN154D, ASN178C, ASN178D, ASP175C, ASP175D, GLN147C, GLN147D, GLN28C, GLN28D, GLN34C, GLN34D, GLN38C, GLN38D, GLU127C, GLU127D, GLU149C, GLU149D, GLU169C, GLU169D, GLU27C, GLU27D, GLU69C, GLU69D, GLY128C, GLY128D, GLY130C, GLY130D, HIS151C, HIS151D, HIS170C, HIS170D, HIS32C, HIS32D, HIS36C, HIS36D, HIS73C, HIS73D, ILE174C, ILE174D, ILE31C, ILE31D, LEU70C, LEU70D, LYS150C, LYS150D, LYS35C, LYS35D, LYS68C, LYS68D, PHE72C, PHE72D, SER125C, SER125D, SER129C, SER129D, SER71C, SER71D, TRP168C, TRP168D, TYR172C, TYR172D, TYR173C, TYR173D, TYR176C, TYR176D, TYR40C, TYR40D, VAL153C, VAL153D, VAL167C, VAL167D, VAL179C, VAL179D
• C-E: ALA122C, ALA122E, ALA123C, ALA123E, ALA126C, ALA126E, ALA132C, ALA132E, ALA44C, ALA44E, ALA54C, ALA54E, ALA65C, ALA65E, ALA66C, ALA66E, ARG114C, ARG114E, ARG139C, ARG139E, ARG142C, ARG142E, ARG160C, ARG160E, ARG180C, ARG180E, ARG199C, ARG199E, ARG49C, ARG49E, ARG55C, ARG55E, ASN152C, ASN152E, ASN154C, ASN154E, ASN45C, ASN45E, ASP108C, ASP108E, ASP141C, ASP141E, ASP202C, ASP202E, ASP52C, ASP52E, ASP58C, ASP58E, ASP60C, ASP60E, ASP62C, ASP62E, CYS137C, CYS137E, GLN121C, GLN121E, GLN138C, GLN138E, GLN147C, GLN147E, GLU106C, GLU106E, GLU113C, GLU113E, GLU118C, GLU118E, GLU127C, GLU127E, GLU12C, GLU12E, GLU149C, GLU149E, GLU4C, GLU4E, GLU53C, GLU53E, GLU56C, GLU56E, GLU69C, GLU69E, GLU9C, GLU9E, GLY110C, GLY110E, GLY75C, GLY75E, GLY76C, GLY76E, HIS151C, HIS151E, HIS158C, HIS158E, HIS37C, HIS37E, HIS73C, HIS73E, HIS80E, ILE105C, ILE105E, ILE124C, ILE124E, ILE145C, ILE145E, ILE156C, ILE156E, ILE161C, ILE161E, ILE203C, ILE203E, ILE63C, ILE63E, LEU134C, LEU134E, LEU143C, LEU143E, LEU162C, LEU162E, LEU47C, LEU47E, LEU48C, LEU48E, LEU51C, LEU51E, LEU67C, LEU67E, LEU70C, LEU70E, LEU79C, LEU79E, LEU81C, LEU81E, LYS107C, LYS107E, LYS117C, LYS117E, LYS150C, LYS150E, LYS50C, LYS50E, LYS5C, LYS5E, LYS64C, LYS64E, LYS68C, LYS68E, LYS6C, LYS6E, MET146C, MET146E, PHE109C, PHE109E, PHE115C, PHE115E, PHE119C, PHE119E, PHE144C, PHE144E, PHE159C, PHE159E, PHE72C, PHE72E, PHE7C, PHE7E, PHE82C, PHE82E, PRO11C, PRO11E, PRO157C, PRO157E, SER111C, SER111E, SER120C, SER120E, SER125C, SER125E, SER57C, SER57E, SER71C, SER71E, THR135C, THR135E, THR140C, THR140E, THR59C, THR59E, TRP131C, TRP131E, TYR104C, TYR104E, TYR136C, TYR136E, TYR77C, TYR77E, TYR8C, TYR8E, VAL133C, VAL133E, VAL148C, VAL148E, VAL153C, VAL153E, VAL155C, VAL155E, VAL164C, VAL164E, VAL61C, VAL61E, VAL74C, VAL74E, VAL78C, VAL78E
• C-F: ALA65C, ALA65F, ALA66C, ALA66F, ASN152C, ASN152F, ASN154C, ASN154F, ASP62C, ASP62F, GLU127C, GLU127F, GLU149C, GLU149F, GLU69C, GLU69F, HIS73C, HIS73F, LEU47C, LEU47F, LEU70C, LEU70F, LYS150C, LYS150F, LYS50C, LYS50F, LYS64C, LYS64F, LYS68C, LYS68F, PHE72C, PHE72F, VAL153C, VAL153F
• D-E: ALA65D, ALA65E, ALA66D, ALA66E, ASN152D, ASN152E, ASN154D, ASN154E, ASP62D, ASP62E, GLU127D, GLU127E, GLU149D, GLU69D, GLU69E, HIS73D, HIS73E, LEU47D, LEU47E, LEU70D, LEU70E, LYS150D, LYS150E, LYS50D, LYS50E, LYS64D, LYS64E, LYS68D, LYS68E, PHE72D, PHE72E, VAL153D, VAL153E
• D-F: ALA122D, ALA122F, ALA123D, ALA123F, ALA126D, ALA126F, ALA132D, ALA132F, ALA44D, ALA44F, ALA54D, ALA54F, ALA65D, ALA65F, ALA66D, ALA66F, ARG114D, ARG114F, ARG139D, ARG139F, ARG142D, ARG142F, ARG160D, ARG160F, ARG180D, ARG180F, ARG199D, ARG199F, ARG49D, ARG49F, ARG55D, ARG55F, ASN152D, ASN152F, ASN154D, ASN154F, ASN45D, ASN45F, ASP108D, ASP108F, ASP141D, ASP141F, ASP202D, ASP202F, ASP52D, ASP52F, ASP58D, ASP58F, ASP60D, ASP60F, ASP62D, ASP62F, CYS137D, CYS137F, GLN121D, GLN121F, GLN138D, GLN138F, GLN147D, GLN147F, GLU106D, GLU106F, GLU113D, GLU113F, GLU118D, GLU118F, GLU127D, GLU127F, GLU12D, GLU12F, GLU149D, GLU149F, GLU4D, GLU4F, GLU53D, GLU53F, GLU56D, GLU56F, GLU69D, GLU69F, GLU9D, GLU9F, GLY110D, GLY110F, GLY75D, GLY75F, GLY76D, GLY76F, HIS151D, HIS151F, HIS158D, HIS158F, HIS37D, HIS37F, HIS73D, HIS73F, HIS80F, ILE105D, ILE105F, ILE124D, ILE124F, ILE145D, ILE145F, ILE156D, ILE156F, ILE161D, ILE161F, ILE203D, ILE203F, ILE63D, ILE63F, LEU134D, LEU134F, LEU143D, LEU143F, LEU162D, LEU162F, LEU47D, LEU47F, LEU48D, LEU48F, LEU51D, LEU51F, LEU67D, LEU67F, LEU70D, LEU70F, LEU79D, LEU79F, LEU81D, LEU81F, LYS107D, LYS107F, LYS117D, LYS117F, LYS150D, LYS150F, LYS50D, LYS50F, LYS5D, LYS5F, LYS64D, LYS64F, LYS68D, LYS68F, LYS6D, LYS6F, MET146D, MET146F, PHE109D, PHE109F, PHE115D, PHE115F, PHE119D, PHE119F, PHE144D, PHE144F, PHE159D, PHE159F, PHE72D, PHE72F, PHE7D, PHE7F, PHE82D, PHE82F, PRO11D, PRO11F, PRO157D, PRO157F, SER111D, SER111F, SER120D, SER120F, SER125D, SER125F, SER57D, SER57F, SER71D, SER71F, THR135D, THR135F, THR140D, THR140F, THR59D, THR59F, TRP131D, TRP131F, TYR104D, TYR104F, TYR136D, TYR136F, TYR77D, TYR77F, TYR8D, TYR8F, VAL133D, VAL133F, VAL148D, VAL148F, VAL153D, VAL153F, VAL155D, VAL155F, VAL164D, VAL164F, VAL61D, VAL61F, VAL74D, VAL74F, VAL78D, VAL78F
• E-F: ALA126E, ALA126F, ALA171E, ALA171F, ALA39E, ALA39F, ALA65E, ALA65F, ARG177E, ARG177F, ARG180E, ARG180F, ASN152E, ASN152F, ASN154E, ASN154F, ASN178E, ASN178F, ASP175E, ASP175F, GLN147E, GLN147F, GLN28E, GLN28F, GLN34E, GLN34F, GLN38E, GLN38F, GLU127E, GLU127F, GLU149E, GLU149F, GLU169E, GLU169F, GLU27E, GLU27F, GLU69E, GLU69F, GLY128E, GLY128F, GLY130E, GLY130F, HIS151E, HIS151F, HIS170E, HIS170F, HIS32E, HIS32F, HIS36E, HIS36F, HIS73E, HIS73F, ILE174E, ILE174F, ILE31E, ILE31F, LEU70E, LEU70F, LYS150E, LYS150F, LYS35E, LYS35F, LYS68E, LYS68F, PHE72E, PHE72F, SER125E, SER125F, SER129E, SER129F, SER71E, SER71F, TRP168E, TRP168F, TYR172E, TYR172F, TYR173E, TYR173F, TYR176E, TYR176F, TYR40E, TYR40F, VAL153E, VAL153F, VAL167E, VAL167F, VAL179E, VAL179F