3KTM

structure of the heparin-induced e1-dimer of the amyloid precursor protein (app)

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 36
  • Norm. En. per Res.: -2.8989
• 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	0.0	0.0	-0.0909	-0.0909	5	0	0	39	0	0	0
A-C	-36.2511	15.5232	-135.322	-156.0499	72	10	0	6483	2	19	41
A-E	-90.6351	5.3625	-262.938	-348.2106	137	17	19	12545	1	27	35
B-D	-29.1987	-9.1144	-133.013	-171.3261	70	9	0	6216	1	19	41
C-D	0.0	0.0	-0.0661	-0.0661	5	0	0	33	0	0	0
C-F	-99.3334	-3.0605	-259.025	-361.4189	139	15	17	12596	1	27	34
D-F	-28.764	-20.8507	-54.7452	-104.36	36	8	0	2493	2	26	27
E-G	-32.7939	7.0081	-132.216	-158.0018	70	6	0	6236	1	19	41
F-H	-34.4863	-5.6192	-149.029	-189.1345	69	10	0	6554	2	19	41
G-H	-79.974	2.7151	-255.67	-332.9289	140	19	17	12863	1	25	30

Interface residues

• A-B: ALA26B, GLY27B, HIS149A, LEU148A, THR152A
• A-C: ARG100A, ARG102A, ARG102C, ASN42C, ASN46A, ASN46C, ASN49A, ASN49C, ASN96A, ASN96C, ASP53A, ASP53C, ASP55A, ASP55C, CYS105A, CYS105C, CYS98A, CYS98C, GLN104A, GLN104C, GLN48A, GLN48C, GLN74C, GLN95A, GLN95C, GLU75A, GLU75C, GLU79C, GLY101A, GLY101C, GLY58A, GLY58C, HIS108A, HIS44A, HIS44C, ILE94C, LEU41A, LEU41C, LEU80C, LYS103A, LYS103C, LYS106A, LYS106C, LYS51C, LYS60A, LYS60C, LYS99A, LYS99C, MET43C, MET45C, PRO56A, PRO56C, PRO78A, PRO78C, SER54A, SER54C, SER57A, SER57C, THR107A, THR107C, THR59A, THR59C, TRP52A, TRP52C, TRP97A, TRP97C, TYR72A, TYR72C, TYR77C, VAL47C, VAL76A, VAL76C
• A-E: ALA126A, ALA126E, ALA190A, ALA197A, ALA198A, ALA199A, ALA26E, ALA30A, ALA30E, ALA88A, ARG116A, ARG116E, ARG140E, ARG180E, ARG194A, ASN46A, ASN49A, ASN84E, ASN89A, ASN96A, ASP125A, ASP125E, ASP131A, ASP131E, ASP142E, ASP167A, CYS117E, CYS133A, CYS133E, CYS144E, CYS174E, CYS187A, GLN138E, GLN33A, GLN48A, GLN71E, GLN74E, GLN81E, GLN90A, GLN95A, GLU121E, GLU139E, GLU145E, GLU183E, GLU192A, GLU201A, GLU31A, GLU31E, GLU67E, GLU79E, GLU87A, GLY120E, GLY169A, GLY175E, GLY193A, GLY27E, GLY50A, GLY68E, HIS110A, HIS137E, HIS147A, HIS166A, HIS166E, HIS202A, ILE113A, ILE176E, ILE191A, ILE82E, ILE94A, LEU118A, LEU118E, LEU127A, LEU127E, LEU128A, LEU128E, LEU136A, LEU136E, LEU165A, LEU171E, LEU172E, LEU189A, LEU196A, LEU200A, LEU28A, LEU28E, LEU29A, LEU29E, LEU70E, LEU80E, LYS132A, LYS132E, LYS134A, LYS134E, LYS178E, LYS195A, LYS51A, LYS66E, MET141E, MET170A, MET170E, MET45A, PHE111A, PHE122E, PHE135A, PHE135E, PHE179E, PHE184E, PRO109A, PRO114A, PRO130A, PRO130E, PRO173E, PRO188A, PRO32A, PRO32E, PRO91A, SER124A, SER124E, THR107A, THR65E, THR83E, THR93A, TRP52A, TYR168A, VAL119A, VAL119E, VAL123A, VAL123E, VAL129A, VAL129E, VAL143E, VAL182E, VAL185A, VAL185E, VAL47A, VAL86A, VAL92A
• B-D: ARG100D, ARG102B, ARG102D, ASN42B, ASN46B, ASN46D, ASN49B, ASN49D, ASN96B, ASN96D, ASP53B, ASP53D, ASP55B, ASP55D, CYS105B, CYS105D, CYS98B, CYS98D, GLN104B, GLN104D, GLN48B, GLN48D, GLN74B, GLN95B, GLU75B, GLU75D, GLU79B, GLY101B, GLY101D, GLY58B, GLY58D, HIS44B, HIS44D, ILE94B, LEU41B, LEU41D, LEU80B, LYS103B, LYS103D, LYS106B, LYS106D, LYS51B, LYS60B, LYS60D, LYS99B, LYS99D, MET43B, MET45B, PRO56B, PRO56D, PRO78B, PRO78D, SER54B, SER54D, SER57B, SER57D, THR107B, THR107D, THR59B, THR59D, THR61D, TRP52B, TRP52D, TRP97B, TRP97D, TYR72D, TYR77B, VAL47B, VAL76B, VAL76D
• C-D: ALA26C, GLU145D, HIS149D, LEU148D, THR152D
• C-F: ALA126C, ALA126F, ALA190F, ALA197F, ALA198F, ALA199F, ALA26C, ALA30C, ALA30F, ALA88F, ARG116C, ARG116F, ARG140C, ARG180C, ARG194F, ASN46F, ASN49F, ASN84C, ASN89F, ASN96F, ASP125C, ASP125F, ASP131C, ASP131F, ASP142C, ASP167F, CYS117C, CYS117F, CYS133C, CYS133F, CYS144C, CYS174C, CYS187F, GLN138C, GLN33F, GLN48F, GLN71C, GLN74C, GLN81C, GLN90F, GLN95F, GLU121C, GLU139C, GLU183C, GLU192F, GLU201F, GLU31C, GLU31F, GLU67C, GLU79C, GLU87F, GLY120C, GLY169F, GLY175C, GLY193F, GLY27C, GLY50F, GLY68C, HIS110F, HIS137C, HIS147F, HIS166C, HIS166F, HIS202F, ILE113F, ILE176C, ILE191F, ILE69C, ILE82C, ILE94F, LEU118C, LEU118F, LEU127C, LEU127F, LEU128C, LEU128F, LEU136C, LEU165F, LEU171C, LEU172C, LEU189F, LEU196F, LEU200F, LEU28C, LEU28F, LEU29C, LEU29F, LEU70C, LEU80C, LYS132C, LYS132F, LYS134C, LYS134F, LYS178C, LYS195F, LYS51F, LYS66C, MET141C, MET170C, MET170F, MET45F, PHE111F, PHE122C, PHE135C, PHE135F, PHE184C, PRO109F, PRO114F, PRO130C, PRO130F, PRO173C, PRO188F, PRO32C, PRO32F, PRO91F, SER124C, SER124F, THR107F, THR65C, THR83C, THR93F, TRP52F, TYR168F, TYR72C, VAL112F, VAL119C, VAL119F, VAL123C, VAL123F, VAL129C, VAL129F, VAL143C, VAL182C, VAL185C, VAL185F, VAL47F, VAL85C, VAL86F, VAL92F
• D-F: ARG140D, ARG140F, ARG180D, ARG180F, ASP142D, ASP142F, CYS144D, GLN138D, GLN138F, GLU139F, GLU145D, GLU156D, GLU156F, GLU160D, GLU160F, GLY181F, HIS137F, HIS149D, HIS149F, LEU136F, LYS134F, LYS161F, LYS178D, MET141D, MET141F, PHE135F, PHE184F, THR146D, THR152D, THR157F, TRP150F, VAL143D, VAL143F, VAL153D, VAL153F, VAL182F
• E-G: ARG100G, ARG102E, ARG102G, ASN46E, ASN46G, ASN49E, ASN96E, ASN96G, ASP53E, ASP53G, ASP55E, ASP55G, CYS105E, CYS105G, CYS98E, CYS98G, GLN104E, GLN104G, GLN48E, GLN71G, GLN74E, GLN95E, GLN95G, GLU75E, GLU75G, GLU79E, GLY101E, GLY101G, GLY50E, GLY58E, GLY58G, HIS108G, HIS44E, HIS44G, ILE94E, LEU29E, LEU41E, LEU41G, LYS103E, LYS103G, LYS106E, LYS106G, LYS51E, LYS60G, LYS99G, MET43E, MET45E, PRO109G, PRO56E, PRO56G, PRO78E, PRO78G, SER54E, SER54G, SER57E, SER57G, THR107E, THR107G, THR59E, THR59G, TRP52E, TRP52G, TRP97E, TRP97G, TYR72E, TYR72G, TYR77E, VAL47E, VAL76E, VAL76G
• F-H: ARG100F, ARG102F, ARG102H, ASN46F, ASN46H, ASN49F, ASN49H, ASN96F, ASN96H, ASP53F, ASP53H, ASP55F, ASP55H, CYS105F, CYS105H, CYS73H, CYS98F, CYS98H, GLN104F, GLN104H, GLN48H, GLN74H, GLN95F, GLN95H, GLU75F, GLU75H, GLU79H, GLY101F, GLY101H, GLY58F, GLY58H, HIS108F, HIS44F, HIS44H, ILE94H, LEU41F, LEU41H, LEU80H, LYS103F, LYS103H, LYS106F, LYS106H, LYS51H, LYS60F, LYS99F, MET43H, MET45H, PRO56F, PRO56H, PRO78F, PRO78H, SER54F, SER54H, SER57F, SER57H, THR107F, THR107H, THR59F, THR59H, THR61F, TRP52F, TRP52H, TRP97F, TRP97H, TYR72F, TYR77H, VAL47H, VAL76F, VAL76H
• G-H: ALA126G, ALA126H, ALA190G, ALA197G, ALA198G, ALA199G, ALA26H, ALA30G, ALA30H, ALA88G, ARG116G, ARG116H, ARG140H, ARG180H, ARG194G, ASN46G, ASN49G, ASN84H, ASN89G, ASN96G, ASP125G, ASP125H, ASP131G, ASP131H, ASP142H, ASP167G, CYS117G, CYS117H, CYS133G, CYS133H, CYS144H, CYS174H, CYS187G, CYS187H, GLN138H, GLN33G, GLN48G, GLN71H, GLN74H, GLN81H, GLN90G, GLN95G, GLU121H, GLU139H, GLU183H, GLU192G, GLU201G, GLU31G, GLU31H, GLU67H, GLU79H, GLU87G, GLY120H, GLY169G, GLY175H, GLY193G, GLY27H, GLY50G, GLY68H, HIS110G, HIS137G, HIS137H, HIS147G, HIS166G, HIS166H, ILE113G, ILE176H, ILE191G, ILE69H, ILE82H, ILE94G, LEU118G, LEU118H, LEU127G, LEU127H, LEU128G, LEU128H, LEU136G, LEU136H, LEU165G, LEU171H, LEU172H, LEU189G, LEU196G, LEU200G, LEU28G, LEU28H, LEU29G, LEU29H, LEU70H, LEU80H, LYS132G, LYS132H, LYS134G, LYS134H, LYS178H, LYS195G, LYS51G, LYS66H, MET141H, MET170G, MET170H, MET45G, PHE111G, PHE122H, PHE135G, PHE135H, PHE184H, PRO109G, PRO114G, PRO130G, PRO130H, PRO173H, PRO188G, PRO32G, PRO32H, PRO91G, SER124G, SER124H, THR107G, THR83H, THR93G, TRP52G, TYR168G, TYR72H, VAL119G, VAL119H, VAL123G, VAL123H, VAL129G, VAL129H, VAL143H, VAL182H, VAL185G, VAL185H, VAL47G, VAL85H, VAL86G, VAL86H, VAL92G