1SOS

atomic structures of wild-type and thermostable mutant recombinant human cu, zn superoxide dismutase

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: D-I
  • Int. Res.: 78
  • Norm. En. per Res.: -3.0625
• Hub Node: B(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-F	-40.1934	0.1032	-201.751	-241.8411	80	5	6	7962	0	8	6
A-E	-10.1363	0.1118	-69.4353	-79.4598	52	2	1	3294	0	21	24
F-G	-15.0464	0.9149	-90.6892	-104.8208	59	3	0	3877	1	29	34
F-H	0.0	-12.7451	-68.596	-81.341	52	0	0	3345	2	25	36
F-E	0.0	-1.3189	-41.7869	-43.1058	49	1	0	2270	1	16	14
B-G	-38.3916	-2.9027	-190.475	-231.7693	80	4	6	7794	0	8	6
B-D	0.0	0.902	-36.5456	-35.6436	43	0	1	2229	0	20	24
B-I	-2.8899	10.9383	-32.4505	-24.4021	38	1	0	1329	0	12	11
B-J	0.0	0.0	-0.006	-0.006	2	0	0	2	0	2	3
G-H	-9.9484	-5.3212	-69.2766	-84.5462	54	3	0	3102	1	25	36
C-H	-37.518	0.0	-184.447	-221.965	79	9	6	7650	0	8	6
D-I	-33.3095	-4.4543	-201.114	-238.8778	78	4	6	7955	0	8	7
I-J	-25.5216	12.9123	-85.5417	-98.151	52	2	0	3699	0	29	31
E-J	-37.5775	-0.8656	-194.559	-233.0021	79	3	6	7899	0	8	6

Interface residues

• A-F: ALA152A, ALA152F, ALA1A, ALA1F, ALA4A, ALA4F, ALA55A, ALA55F, ALA60A, ALA60F, ALA6A, ALA6F, ARG115A, ARG115F, ASN19A, ASN19F, ASN53A, ASN53F, ASP11A, ASP52A, ASP52F, GLN153A, GLN153F, GLU49A, GLU49F, GLY10A, GLY114A, GLY114F, GLY147A, GLY147F, GLY150A, GLY150F, GLY16A, GLY16F, GLY51A, GLY51F, GLY56A, GLY56F, GLY61A, GLY61F, HIS48A, HIS48F, ILE112A, ILE112F, ILE113A, ILE113F, ILE149A, ILE149F, ILE151A, ILE151F, ILE17A, ILE17F, ILE18A, ILE18F, LEU8A, LEU8F, LYS3A, LYS3F, LYS9A, LYS9F, PHE50A, PHE50F, PHE64A, PHE64F, PRO62A, PRO62F, SER111A, SER111F, SER59A, SER59F, THR116A, THR116F, THR54A, THR54F, VAL148A, VAL148F, VAL5A, VAL5F, VAL7A, VAL7F
• A-E: ALA123E, ALA55A, ALA60A, ALA89E, ALA95E, ARG143A, ARG69A, ASN131E, ASN139E, ASN53A, ASN65A, ASN86E, ASP11A, ASP124E, ASP125E, ASP52A, ASP90E, ASP92E, ASP96E, CYS57A, GLU132A, GLU132E, GLU133A, GLU133E, GLU40E, GLU49A, GLY129E, GLY130E, GLY41E, GLY56A, GLY61A, GLY93E, HIS43E, HIS80A, LEU126E, LEU42E, LYS128E, LYS136A, LYS70A, LYS75E, LYS91E, PHE50A, PRO62A, SER134E, SER59A, SER68A, THR135A, THR39E, THR54A, THR58A, THR88E, VAL94E
• F-G: ALA89F, ALA95F, ASN131G, ASN139G, ASN86F, ASP125F, ASP125G, ASP76F, ASP76G, ASP90F, ASP96F, GLU100F, GLU121G, GLU132G, GLU133G, GLU40F, GLU77G, GLU78G, GLY127G, GLY129G, GLY130G, GLY138G, GLY141G, GLY33F, GLY41F, GLY72G, GLY73F, GLY73G, GLY85F, HIS43F, HIS71G, ILE35F, ILE99F, LEU126F, LEU126G, LEU42F, LEU84F, LYS122G, LYS128F, LYS128G, LYS136G, LYS30F, LYS70G, LYS75F, LYS75G, LYS91F, PHE45F, PRO74F, SER134G, SER142G, SER34F, SER98F, THR135G, THR88F, TRP32F, VAL31F, VAL87F, VAL94F, VAL97F
• F-H: ALA89H, ALA95H, ARG79F, ASN131F, ASN139F, ASN86H, ASP125F, ASP76F, ASP76H, ASP90H, ASP96H, GLU100H, GLU121F, GLU132F, GLU133F, GLU40H, GLU77F, GLU78F, GLY127F, GLY129F, GLY130F, GLY33H, GLY72F, GLY73F, GLY73H, GLY85H, HIS43H, HIS71F, ILE99H, LEU126F, LEU126H, LEU42H, LEU84H, LYS122F, LYS128F, LYS128H, LYS30H, LYS70F, LYS75F, LYS75H, LYS91H, PHE45H, PRO74H, SER134F, SER98H, THR135F, THR88H, TRP32H, VAL31H, VAL87H, VAL94H, VAL97H
• F-E: ALA123E, ALA152F, ALA1F, ALA89E, ASN19F, ASN86E, ASP124E, ASP90E, ASP92E, ASP96E, GLN153F, GLN15F, GLU100E, GLU21F, GLU24F, GLY16F, GLY33E, GLY33F, GLY73E, GLY85E, HIS43E, ILE17F, ILE99E, LEU126E, LEU42E, LEU84E, LEU8F, LYS23E, LYS23F, LYS30E, LYS30F, LYS36F, LYS3F, LYS75E, LYS91E, LYS9F, PRO28E, PRO74E, SER98E, THR2F, THR88E, TRP32E, TRP32F, VAL31E, VAL5F, VAL7F, VAL87E, VAL94E, VAL97E
• B-G: ALA152B, ALA152G, ALA1B, ALA1G, ALA4B, ALA4G, ALA55B, ALA55G, ALA60B, ALA60G, ALA6B, ALA6G, ARG115B, ARG115G, ASN19B, ASN19G, ASN53B, ASN53G, ASP109B, ASP11G, ASP52B, ASP52G, GLN153B, GLN153G, GLU49B, GLU49G, GLY114B, GLY114G, GLY147B, GLY147G, GLY150B, GLY150G, GLY16B, GLY16G, GLY51B, GLY51G, GLY56B, GLY56G, GLY61B, GLY61G, HIS48B, HIS48G, ILE112B, ILE112G, ILE113B, ILE113G, ILE149B, ILE149G, ILE151B, ILE151G, ILE17B, ILE17G, ILE18B, ILE18G, LEU8B, LEU8G, LYS3B, LYS3G, LYS9B, LYS9G, PHE50B, PHE50G, PHE64B, PHE64G, PRO62B, PRO62G, SER111B, SER111G, SER59B, SER59G, THR116B, THR116G, THR54B, THR54G, VAL148B, VAL148G, VAL5B, VAL5G, VAL7B, VAL7G
• B-D: ALA123B, ALA55D, ALA60D, ARG143D, ASN131B, ASN131D, ASN53D, ASN86B, ASP11D, ASP124B, ASP125B, ASP52D, ASP76B, CYS57D, GLU132D, GLU133D, GLU40B, GLU49D, GLY127B, GLY129B, GLY130B, GLY41B, GLY56D, GLY61D, GLY85B, HIS43B, HIS63D, LEU126B, LEU42B, LYS128B, LYS136D, LYS75B, PHE50D, PRO62D, PRO74B, SER134B, SER59D, THR135B, THR137D, THR54D, THR58D, THR88B, VAL87B
• B-I: ALA152I, ALA4I, ASN19I, ASP101B, ASP76B, ASP90B, ASP96B, GLN153I, GLN15I, GLU100B, GLU21I, GLU77B, GLU78B, GLY33I, GLY73B, ILE151I, ILE17I, ILE99B, LEU126B, LYS128B, LYS23I, LYS30B, LYS30I, LYS36I, LYS3I, LYS75B, LYS91B, LYS9I, PRO13I, PRO28B, PRO74B, SER102B, SER34I, SER98B, THR88B, TRP32I, VAL5I, VAL94B
• B-J: GLU132J, LYS30B
• G-H: ALA89G, ALA95G, ASN131H, ASN139H, ASN86G, ASP125G, ASP125H, ASP76G, ASP76H, ASP90G, ASP96G, GLU100G, GLU121H, GLU132H, GLU133H, GLU40G, GLU77H, GLU78H, GLY127H, GLY129H, GLY130H, GLY138H, GLY33G, GLY41G, GLY72H, GLY73G, GLY73H, GLY85G, HIS43G, ILE99G, LEU126G, LEU126H, LEU42G, LEU84G, LYS122H, LYS128G, LYS128H, LYS136H, LYS30G, LYS70H, LYS75G, LYS75H, LYS91G, PHE45G, PRO74G, SER134H, SER98G, THR135H, THR88G, TRP32G, VAL31G, VAL87G, VAL94G, VAL97G
• C-H: ALA152C, ALA152H, ALA1C, ALA1H, ALA4C, ALA4H, ALA55C, ALA55H, ALA60C, ALA60H, ALA6C, ALA6H, ARG115C, ARG115H, ASN19C, ASN19H, ASN53C, ASN53H, ASP11H, ASP52C, ASP52H, GLN153C, GLN153H, GLU49C, GLU49H, GLY114C, GLY114H, GLY147C, GLY147H, GLY150C, GLY150H, GLY16C, GLY16H, GLY51C, GLY51H, GLY56C, GLY56H, GLY61C, GLY61H, HIS48C, HIS48H, ILE112C, ILE112H, ILE113C, ILE113H, ILE149C, ILE149H, ILE151C, ILE151H, ILE17C, ILE17H, ILE18C, ILE18H, LEU8C, LEU8H, LYS3C, LYS3H, LYS9C, LYS9H, PHE50C, PHE50H, PHE64C, PHE64H, PRO62C, PRO62H, SER111C, SER111H, SER59C, SER59H, THR116C, THR116H, THR54C, THR54H, VAL148C, VAL148H, VAL5C, VAL5H, VAL7C, VAL7H
• D-I: ALA152D, ALA152I, ALA1D, ALA1I, ALA4D, ALA4I, ALA55D, ALA55I, ALA60D, ALA60I, ALA6D, ALA6I, ARG115D, ARG115I, ASN19D, ASN19I, ASN53D, ASN53I, ASP109I, ASP52D, ASP52I, GLN153D, GLN153I, GLU49D, GLU49I, GLY114D, GLY114I, GLY147D, GLY147I, GLY150D, GLY150I, GLY16D, GLY16I, GLY51D, GLY51I, GLY56D, GLY56I, GLY61D, GLY61I, HIS48D, HIS48I, ILE112D, ILE112I, ILE113D, ILE113I, ILE149D, ILE149I, ILE151D, ILE151I, ILE17D, ILE17I, ILE18D, ILE18I, LEU8I, LYS3D, LYS3I, LYS9D, LYS9I, PHE50D, PHE50I, PHE64D, PHE64I, PRO62D, PRO62I, SER111D, SER111I, SER59D, SER59I, THR116D, THR116I, THR54D, THR54I, VAL148D, VAL148I, VAL5D, VAL5I, VAL7D, VAL7I
• I-J: ALA89I, ALA95I, ASN131J, ASN139J, ASN86I, ASP125J, ASP76I, ASP76J, ASP90I, ASP96I, GLU100I, GLU121J, GLU132J, GLU133J, GLU40I, GLY127J, GLY129J, GLY130J, GLY138J, GLY141J, GLY33I, GLY41I, GLY72J, GLY73I, GLY73J, GLY85I, HIS43I, ILE99I, LEU126I, LEU126J, LEU42I, LEU84I, LYS122J, LYS128I, LYS128J, LYS136J, LYS30I, LYS70J, LYS75I, LYS91I, PHE45I, PRO74I, SER134J, SER142J, SER98I, THR135J, THR88I, TRP32I, VAL31I, VAL87I, VAL94I, VAL97I
• E-J: ALA152E, ALA152J, ALA1E, ALA1J, ALA4E, ALA4J, ALA55E, ALA55J, ALA60E, ALA60J, ALA6E, ALA6J, ARG115E, ARG115J, ASN19E, ASN19J, ASN53E, ASN53J, ASP52E, ASP52J, CYS146E, GLN153E, GLN153J, GLU49E, GLU49J, GLY10E, GLY114E, GLY114J, GLY147E, GLY147J, GLY150E, GLY150J, GLY16J, GLY51E, GLY51J, GLY56E, GLY56J, GLY61E, GLY61J, HIS48E, HIS48J, ILE112E, ILE112J, ILE113E, ILE113J, ILE149E, ILE149J, ILE151E, ILE151J, ILE17E, ILE17J, ILE18E, ILE18J, LEU8E, LEU8J, LYS3E, LYS3J, LYS9E, LYS9J, PHE50E, PHE50J, PHE64E, PHE64J, PRO62E, PRO62J, SER111E, SER111J, SER59E, SER59J, THR116E, THR116J, THR54E, THR54J, VAL148E, VAL148J, VAL5E, VAL5J, VAL7E, VAL7J