3E6R

crystal structure of apo-ferritin from pseudo-nitzschia multiseries

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 45
  • Norm. En. per Res.: -3.9956
• 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	0.0	-12.7846	-111.082	-123.8666	51	4	7	4481	0	13	12
A-C	-22.9692	28.3837	-236.216	-230.8015	110	8	14	10692	0	20	16
A-D	-28.683	-8.1676	-114.727	-151.5776	44	3	2	4887	2	17	21
A-F	-8.0725	-21.9184	-103.641	-133.6318	51	3	7	4431	1	13	12
B-C	-48.2611	-11.8341	-119.708	-179.8032	45	5	4	4900	3	18	21
B-F	-10.3595	-26.2433	-109.58	-146.1829	52	1	6	4370	2	13	12
C-D	-8.8184	-18.2215	-113.537	-140.5769	52	1	7	4473	2	13	12
C-E	-4.1315	-20.3942	-115.115	-139.6407	51	1	7	4521	1	13	12
D-E	0.0	-18.9916	-111.03	-130.0216	51	2	7	4471	0	14	12

Interface residues

• A-B: ALA105B, ALA107B, ALA108B, ALA115A, ALA118A, ALA118B, ALA59A, ARG62A, ASN103B, ASN121A, ASN121B, ASN129B, ASN60A, ASN63A, ASP113A, ASP132B, ASP57A, CYS111A, GLN126B, GLN127B, GLU106B, GLU130B, GLU131B, GLY135B, HIS112A, HIS124B, ILE64A, LEU101B, LEU102B, LEU104B, LEU120A, LEU120B, LEU125B, LEU91B, LYS133B, LYS61A, MET117A, MET117B, PHE114A, PHE119A, PHE123B, PHE58A, PRO122A, PRO122B, SER109A, SER109B, SER136B, THR110B, THR98B, VAL116A, VAL128B
• A-C: ALA25A, ALA25C, ALA38A, ALA38C, ALA43A, ALA43C, ALA46A, ALA46C, ALA59A, ALA59C, ALA70A, ALA70C, ALA73A, ALA73C, ALA78A, ALA78C, ARG49A, ARG49C, ASN32A, ASN32C, ASN60A, ASN60C, ASN63A, ASN63C, ASN9A, ASN9C, ASP30A, ASP30C, ASP33A, ASP33C, ASP57A, ASP57C, CYS77A, CYS77C, GLN20A, GLN20C, GLN31A, GLN31C, GLN69A, GLN69C, GLU35A, GLU44A, GLU44C, GLU47A, GLU47C, GLU48A, GLU48C, GLU50A, GLU50C, GLU67A, GLU67C, GLY52A, GLY52C, GLY54A, GLY54C, ILE27A, ILE27C, ILE64A, ILE64C, ILE66A, ILE66C, LEU23A, LEU23C, LEU42A, LEU42C, LEU53A, LEU53C, LEU68A, LEU68C, LYS61A, LYS61C, MET41A, MET41C, PHE16A, PHE16C, PHE29A, PHE29C, PRO65A, PRO65C, PRO72A, PRO72C, PRO74A, PRO74C, SER19A, SER19C, SER24A, SER24C, SER26A, SER26C, SER45A, SER45C, THR13A, THR13C, THR17A, THR17C, TRP28A, TRP28C, TRP80A, TYR22A, TYR22C, VAL12A, VAL12C, VAL21A, VAL21C, VAL56A, VAL56C, VAL71A, VAL71C, VAL75A, VAL75C
• A-D: ALA139D, ARG146D, ARG152A, ASN145A, ASN145D, ASN32A, ASP132D, ASP143D, ASP155A, ASP30A, ASP33A, GLN31A, GLU144A, GLU144D, GLU35A, GLY135D, GLY149A, GLY36A, ILE137D, LEU138D, LEU150A, LEU150D, LEU151A, LEU151D, LEU154A, LEU154D, LYS133D, LYS140D, PHE159D, PRO148A, PRO148D, PRO83A, SER136D, SER153A, SER153D, SER158D, THR142D, THR147A, THR147D, TRP34A, VAL141D, VAL156A, VAL157A, VAL157D
• A-F: ALA105A, ALA107A, ALA108A, ALA115F, ALA118A, ALA118F, ALA59F, ARG62F, ASN103A, ASN121A, ASN121F, ASN129A, ASN60F, ASN63F, ASP113F, ASP132A, ASP57F, CYS111F, GLN126A, GLN127A, GLN95A, GLU106A, GLU130A, GLU131A, GLY135A, HIS112F, HIS124A, ILE64F, LEU101A, LEU102A, LEU104A, LEU120A, LEU120F, LEU125A, LYS133A, LYS61F, MET117A, MET117F, PHE114F, PHE119F, PHE123A, PHE58F, PRO122A, PRO122F, SER109A, SER109F, SER136A, THR110A, THR98A, VAL116F, VAL128A
• B-C: ALA139B, ARG146B, ARG146C, ARG152C, ASN145B, ASN145C, ASN32C, ASP132B, ASP143B, ASP155B, ASP155C, ASP30C, ASP33C, GLN31C, GLU144B, GLU35C, GLY135B, GLY149C, GLY36C, ILE137B, LEU138B, LEU150B, LEU150C, LEU151B, LEU151C, LEU154B, LEU154C, LYS133B, LYS140B, PRO148B, PRO148C, PRO83C, SER136B, SER153B, SER153C, SER158B, SER158C, THR142B, THR147B, THR147C, TRP34C, VAL141B, VAL156C, VAL157B, VAL157C
• B-F: ALA105F, ALA107F, ALA108F, ALA115B, ALA118B, ALA118F, ALA59B, ARG62B, ASN103F, ASN121B, ASN121F, ASN129F, ASN60B, ASN63B, ASP113B, ASP132F, ASP57B, CYS111B, GLN126F, GLN127F, GLN95F, GLU106F, GLU130F, GLU131F, GLY135F, HIS112B, HIS124F, ILE64B, LEU101F, LEU102F, LEU104F, LEU120B, LEU120F, LEU125F, LEU91F, LYS133F, LYS61B, MET117B, MET117F, PHE114B, PHE119B, PHE123F, PHE58B, PRO122B, PRO122F, SER109B, SER109F, SER136F, THR110F, THR98F, VAL116B, VAL128F
• C-D: ALA105D, ALA107D, ALA108D, ALA115C, ALA118C, ALA118D, ALA59C, ARG62C, ARG99D, ASN103D, ASN121C, ASN121D, ASN129D, ASN60C, ASN63C, ASP113C, ASP132D, ASP57C, CYS111C, GLN126D, GLN127D, GLN95D, GLU106D, GLU130D, GLU131D, GLY135D, HIS112C, HIS124D, ILE64C, LEU101D, LEU102D, LEU104D, LEU120C, LEU120D, LEU125D, LYS133D, LYS61C, MET117C, MET117D, PHE114C, PHE119C, PHE123D, PHE58C, PRO122C, PRO122D, SER109C, SER109D, SER136D, THR110D, THR98D, VAL116C, VAL128D
• C-E: ALA105C, ALA107C, ALA108C, ALA115E, ALA118C, ALA118E, ALA59E, ARG62E, ASN103C, ASN121C, ASN121E, ASN129C, ASN60E, ASN63E, ASP113E, ASP132C, ASP57E, CYS111E, GLN126C, GLN127C, GLN95C, GLU106C, GLU130C, GLU131C, GLY135C, HIS112E, HIS124C, ILE64E, LEU101C, LEU102C, LEU104C, LEU120C, LEU120E, LEU125C, LYS133C, LYS61E, MET117C, MET117E, PHE114E, PHE119E, PHE123C, PHE58E, PRO122C, PRO122E, SER109C, SER109E, SER136C, THR110C, THR98C, VAL116E, VAL128C
• D-E: ALA105E, ALA107E, ALA108E, ALA115D, ALA118D, ALA118E, ALA59D, ARG62D, ASN103E, ASN121D, ASN121E, ASN129E, ASN60D, ASN63D, ASP113D, ASP132E, ASP57D, CYS111D, GLN126E, GLN127E, GLN95E, GLU106E, GLU130E, GLU131E, GLY135E, HIS112D, HIS124E, ILE64D, LEU101E, LEU102E, LEU104E, LEU120D, LEU120E, LEU125E, LYS133E, LYS61D, MET117D, MET117E, PHE114D, PHE119D, PHE123E, PHE58D, PRO122D, PRO122E, SER109D, SER109E, SER136E, THR110E, THR98E, VAL116D, VAL128E