3AK3

superoxide dismutase from aeropyrum pernix k1, fe-bound form

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 84
  • Norm. En. per Res.: -5.4573
• 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	-156.4133	-177.0423	-852.566	-1186.0215	240	30	30	34766	4	54	68
A-C	-89.5653	-115.5011	-252.906	-457.9724	85	16	5	8962	12	55	51
A-D	0.0	-5.5896	-29.0876	-34.6772	38	1	1	1722	2	14	20
B-C	0.0	-3.8824	-29.0729	-32.9552	38	0	1	1765	2	14	20
B-D	-83.2032	-121.4709	-253.739	-458.4131	84	16	5	9060	13	55	50
C-D	-88.6563	-169.0495	-776.048	-1033.7539	230	17	27	32408	4	51	66

Interface residues

• A-B: ALA116A, ALA116B, ALA120A, ALA120B, ALA121A, ALA121B, ALA122A, ALA122B, ALA134A, ALA134B, ALA156A, ALA156B, ALA202A, ALA202B, ALA206A, ALA206B, ALA43A, ALA43B, ALA46A, ALA64A, ALA64B, ALA74A, ALA74B, ARG143A, ARG143B, ARG179A, ARG179B, ARG198A, ARG198B, ARG63A, ARG63B, ARG67A, ARG67B, ARG6A, ARG6B, ASN151A, ASN151B, ASN191A, ASN204A, ASN204B, ASN205A, ASN205B, ASN44A, ASN44B, ASN72A, ASN72B, ASN85A, ASP102A, ASP102B, ASP136A, ASP136B, ASP193A, ASP194A, ASP194B, ASP61A, ASP61B, ASP68A, ASP68B, GLN107A, GLN107B, GLN146A, GLN146B, GLN201A, GLN201B, GLN59B, GLU105A, GLU105B, GLU112A, GLU112B, GLU126A, GLU126B, GLU140A, GLU140B, GLU141A, GLU141B, GLU148A, GLU148B, GLU196A, GLU200A, GLU200B, GLU51A, GLU51B, GLU57B, GLU8A, GLU8B, GLY109A, GLY109B, GLY110A, GLY110B, GLY127A, GLY127B, GLY131A, GLY131B, GLY157A, GLY157B, GLY56A, GLY56B, GLY75A, GLY75B, HIS150A, HIS150B, HIS36A, HIS36B, HIS53A, HIS53B, HIS76A, HIS76B, ILE104A, ILE104B, ILE144A, ILE144B, ILE161A, ILE161B, ILE50A, ILE50B, ILE60A, ILE60B, ILE77A, ILE77B, ILE81A, ILE81B, LEU103A, LEU103B, LEU117A, LEU117B, LEU138A, LEU138B, LEU142A, LEU142B, LEU145A, LEU145B, LEU153A, LEU153B, LEU158A, LEU158B, LEU199A, LEU199B, LEU203A, LEU203B, LEU209A, LEU209B, LEU211B, LEU212B, LEU47A, LEU47B, LEU54A, LEU54B, LYS106A, LYS106B, LYS113A, LYS113B, LYS115A, LYS115B, LYS123A, LYS123B, LYS149A, LYS149B, LYS197A, LYS197B, LYS207A, LYS207B, LYS52B, LYS55A, LYS55B, LYS5A, LYS5B, MET154A, MET154B, MET1A, MET1B, MET66A, MET66B, MET78A, MET78B, PHE108A, PHE108B, PHE114A, PHE114B, PHE118A, PHE118B, PHE135A, PHE135B, PHE4A, PHE4B, PHE69A, PHE69B, PHE71A, PHE71B, PRO10A, PRO10B, PRO137A, PRO137B, PRO160A, PRO160B, PRO208A, PRO208B, PRO213B, PRO84A, PRO84B, SER119A, SER119B, SER3A, SER3B, SER70A, SER70B, THR124A, THR124B, THR139A, THR139B, THR155A, THR155B, THR80A, THR80B, TYR210A, TYR210B, TYR73A, TYR73B, TYR7A, TYR7B, VAL125A, VAL125B, VAL132A, VAL132B, VAL147A, VAL147B, VAL152A, VAL152B, VAL159A, VAL159B, VAL163A, VAL163B, VAL195A, VAL2A, VAL2B, VAL40A, VAL40B, VAL62A, VAL62B, VAL65A, VAL65B
• A-C: ALA170A, ALA170C, ALA64A, ARG179A, ARG179C, ARG67A, ARG67C, ASN151A, ASN151C, ASN177A, ASN177C, ASN72A, ASN72C, ASP178A, ASP178C, ASP68A, ASP68C, GLN174A, GLN174C, GLN33A, GLN33C, GLU126A, GLU126C, GLU148A, GLU148C, GLU168A, GLU168C, GLU26A, GLU26C, GLY127A, GLY127C, GLY129A, GLY129C, HIS150A, HIS150C, HIS169A, HIS169C, HIS31A, HIS31C, HIS35A, HIS35C, ILE24A, ILE24C, ILE27A, ILE27C, LEU153A, LEU153C, LEU173A, LEU173C, LEU30A, LEU30C, LYS149A, LYS149C, LYS176A, LYS176C, LYS29C, LYS34A, LYS34C, LYS41C, PHE69A, PHE69C, PHE71A, PHE71C, SER70A, SER70C, THR38A, THR38C, TRP167A, TRP167C, TYR171A, TYR171C, TYR172A, TYR172C, TYR175A, TYR175C, TYR39A, TYR39C, VAL125A, VAL125C, VAL128A, VAL128C, VAL152A, VAL152C, VAL166A, VAL166C
• A-D: ALA46A, ALA46D, ALA64A, ALA64D, ARG63A, ARG63D, ARG67A, ARG67D, ASN151A, ASN151D, ASN72A, ASN72D, ASP61A, ASP61D, ASP68A, ASP68D, GLU126A, GLU126D, GLY42A, GLY42D, LEU153A, LEU153D, LYS149A, LYS149D, LYS49A, LYS49D, MET66A, MET66D, PHE69A, PHE69D, PHE71A, PHE71D, SER70A, SER70D, VAL152A, VAL152D, VAL65A, VAL65D
• B-C: ALA46B, ALA46C, ALA64B, ALA64C, ARG63B, ARG63C, ARG67B, ARG67C, ASN151B, ASN151C, ASN72B, ASN72C, ASP61B, ASP61C, ASP68B, ASP68C, GLU126B, GLU126C, GLY42B, GLY42C, LEU153B, LEU153C, LYS149B, LYS149C, LYS49B, LYS49C, MET66B, MET66C, PHE69B, PHE69C, PHE71B, PHE71C, SER70B, SER70C, VAL152B, VAL152C, VAL65B, VAL65C
• B-D: ALA170B, ALA170D, ALA64B, ARG179B, ARG179D, ARG67B, ARG67D, ASN151B, ASN151D, ASN177B, ASN177D, ASN72B, ASN72D, ASP178B, ASP178D, ASP68B, ASP68D, GLN174B, GLN174D, GLN33B, GLN33D, GLU126B, GLU126D, GLU148B, GLU148D, GLU168B, GLU168D, GLU26B, GLU26D, GLY127B, GLY127D, GLY129B, GLY129D, HIS150B, HIS150D, HIS169B, HIS169D, HIS31B, HIS31D, HIS35B, HIS35D, ILE24B, ILE24D, ILE27B, ILE27D, LEU153B, LEU153D, LEU173B, LEU173D, LEU30B, LEU30D, LYS149B, LYS149D, LYS176B, LYS176D, LYS29B, LYS34B, LYS34D, PHE69B, PHE69D, PHE71B, PHE71D, SER70B, SER70D, THR38B, THR38D, TRP167B, TRP167D, TYR171B, TYR171D, TYR172B, TYR172D, TYR175B, TYR175D, TYR39B, TYR39D, VAL125B, VAL125D, VAL128B, VAL128D, VAL152B, VAL152D, VAL166B, VAL166D
• C-D: ALA116C, ALA116D, ALA120C, ALA120D, ALA121C, ALA121D, ALA122C, ALA122D, ALA134C, ALA134D, ALA156C, ALA156D, ALA202C, ALA202D, ALA206C, ALA206D, ALA43C, ALA43D, ALA46C, ALA46D, ALA64C, ALA64D, ALA74C, ALA74D, ARG143C, ARG143D, ARG179C, ARG179D, ARG198C, ARG198D, ARG63C, ARG63D, ARG67C, ARG67D, ARG6C, ARG6D, ASN151C, ASN151D, ASN204C, ASN204D, ASN205C, ASN205D, ASN44C, ASN44D, ASN72C, ASN72D, ASP102C, ASP102D, ASP136C, ASP136D, ASP194C, ASP61C, ASP61D, ASP68C, ASP68D, GLN107C, GLN107D, GLN146C, GLN146D, GLN201C, GLN201D, GLU105C, GLU105D, GLU112D, GLU126C, GLU126D, GLU140C, GLU140D, GLU141C, GLU141D, GLU148C, GLU148D, GLU200C, GLU200D, GLU51C, GLU51D, GLU57C, GLU57D, GLU8C, GLU8D, GLY109C, GLY109D, GLY110C, GLY110D, GLY127C, GLY127D, GLY131C, GLY131D, GLY157C, GLY157D, GLY56C, GLY56D, GLY75C, GLY75D, HIS150C, HIS150D, HIS36C, HIS36D, HIS53C, HIS53D, HIS76C, HIS76D, ILE104C, ILE104D, ILE144C, ILE144D, ILE161C, ILE161D, ILE50C, ILE50D, ILE60C, ILE60D, ILE77C, ILE77D, ILE81C, ILE81D, LEU103C, LEU103D, LEU117C, LEU117D, LEU138C, LEU138D, LEU142C, LEU142D, LEU145C, LEU145D, LEU153C, LEU153D, LEU158C, LEU158D, LEU199C, LEU199D, LEU203C, LEU203D, LEU209C, LEU209D, LEU47C, LEU47D, LEU54C, LEU54D, LYS106C, LYS106D, LYS113C, LYS113D, LYS115D, LYS123C, LYS123D, LYS149C, LYS149D, LYS197C, LYS197D, LYS207C, LYS207D, LYS52C, LYS52D, LYS55C, LYS55D, LYS5C, LYS5D, MET154C, MET154D, MET1C, MET1D, MET66C, MET66D, MET78C, MET78D, PHE108C, PHE108D, PHE114C, PHE114D, PHE118C, PHE118D, PHE135C, PHE135D, PHE4C, PHE4D, PHE69C, PHE69D, PHE71C, PHE71D, PRO10C, PRO10D, PRO137C, PRO137D, PRO160C, PRO160D, PRO208C, PRO208D, PRO84C, SER119C, SER119D, SER3C, SER3D, SER70C, SER70D, THR124C, THR124D, THR139C, THR139D, THR155C, THR155D, THR80C, THR80D, TYR210C, TYR210D, TYR73C, TYR73D, TYR7C, TYR7D, VAL125C, VAL125D, VAL132C, VAL132D, VAL147C, VAL147D, VAL152C, VAL152D, VAL159C, VAL159D, VAL163C, VAL163D, VAL2C, VAL2D, VAL40C, VAL40D, VAL62C, VAL62D, VAL65C, VAL65D