2FK3

structure of the alzheimer's amyloid precursor protein (app) copper binding domain in 'large unit cell' form

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 37
  • Norm. En. per Res.: -4.5264
• Hub Node: B(6)

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-C	-24.5211	1.9775	-85.2679	-107.8115	35	5	2	3435	0	18	14
A-D	-15.7157	2.5266	-30.35	-43.5391	21	1	0	1142	0	7	4
A-F	0.0	-22.0627	-96.6081	-118.6708	40	6	0	2857	2	12	17
A-G	-3.0516	7.1891	-8.1234	-3.9858	12	0	0	368	0	4	3
B-C	-48.7576	-41.8727	-76.846	-167.4764	37	7	0	2178	8	17	22
B-D	0.0	30.3756	-84.9086	-54.533	47	3	4	4083	0	20	16
B-E	-22.5288	-0.9012	-82.2169	-105.6469	32	4	2	3137	0	15	13
B-F	-3.4434	4.335	-9.1291	-8.2376	13	0	0	480	0	4	3
B-G	-5.9056	0.0	-71.9841	-77.8897	25	5	0	2655	0	4	9
B-H	-17.7184	5.4196	-39.1952	-51.494	22	3	1	1395	0	7	4
C-D	-5.6446	0.0	-72.1907	-77.8353	24	1	0	2649	0	4	9
C-F	-16.3706	1.7397	-29.0575	-43.6884	20	1	0	1115	0	7	4
C-G	0.0	15.8144	-85.5529	-69.7385	48	3	5	4233	0	22	18
C-H	-10.1644	8.9248	-9.9232	-11.1627	13	1	0	474	0	5	4
D-E	-2.8236	5.8004	-9.7172	-6.7404	13	0	0	405	0	4	3
D-F	-40.3239	20.6375	-104.702	-124.3885	38	5	2	3696	1	20	14
D-G	-33.2959	-36.7348	-79.787	-149.8177	38	4	0	2134	9	16	21
E-G	-11.5961	3.1701	-28.016	-36.442	20	1	0	1092	0	7	4
E-H	-12.8427	-17.1315	-113.306	-143.2802	41	4	0	3366	2	10	14
G-H	-29.5852	-0.7784	-79.4623	-109.8259	32	5	2	2963	0	13	12

Interface residues

• A-C: ALA132A, ARG140C, ARG180C, ASP142C, ASP167A, CB8.5422123.67433, CYS133A, CYS144C, CYS174C, CYS186A, CYS187A, GLU131A, GLU131A5, GLU145C, GLU183A, GLY175C, HIS137A, HIS149C, HIS166A, ILE176C, LEU136A, LEU148C, LEU172C, LYS134A, LYS178C, MET141C, PHE135A, PHE179C, PHE184A, PRO173C, PRO188A, THR146C, TYR168A, VAL143C, VAL185A
• A-D: ASP167A, ASP177D, CYS174D, CYS186A, GLU183A, GLY169A, GLY175D, HIS137A, HIS166A, ILE176D, LEU136A, LEU165A, LEU171A, LYS134A, LYS178D, MET170A, PHE135A, PHE184A, TYR168A, VAL182A, VAL185A
• A-F: ASN164A, ASN164F, ASP167A, ASP167F, ASP177A, ASP177F, CYS133A, CYS133F, CYS186A, CYS186F, CYS187A, CYS187F, GLY169A, GLY169F, HIS147A, HIS147F, HIS151A, HIS151F, HIS166A, HIS166F, LEU148A, LEU148F, LEU165A, LEU165F, LEU189A, LEU189F, LYS155A, LYS155F, MET170A, MET170F, PHE179A, PHE179F, PRO188A, PRO188F, THR163A, THR163F, TYR168A, TYR168F, VAL185A, VAL185F
• A-G: ALA132G, CYS133G, GLU131G, GLU139A, GLU183A, HIS137A, LEU171A, LEU172A, LEU189G, PHE135A, PRO173A, PRO188G
• B-C: ASN164B, ASN164C, ASP167B, ASP167C, ASP177B, ASP177C, CYS133B, CYS133C, CYS187B, CYS187C, GLY169B, GLY169C, HIS147B, HIS147C, HIS151B, HIS151C, HIS166B, HIS166C, ILE176C, LEU148B, LEU148C, LEU165B, LEU165C, LYS178B, LYS178C, MET170B, MET170C, PHE179B, PHE179C, PHE184C, THR146B, THR146C, TYR168B, TYR168C, VAL182C, VAL185B, VAL185C
• B-D: ALA132B, ALA132D, ARG180B, ARG180D, ASP167B, ASP167D, CYS133B, CYS133D, CYS186B, CYS186D, CYS187B, CYS187D, GLN138B, GLN138D, GLU139B, GLU139D, GLU183B, GLU183D, GLY169B, GLY169D, GLY181B, GLY181D, HIS137B, HIS137D, HIS166B, HIS166D, LEU136B, LEU136D, LEU171B, LEU171D, LEU172B, LEU172D, LYS134B, LYS134D, MET141B, MET141D, MET170B, PHE135B, PHE135D, PHE184B, PHE184D, PRO173B, PRO173D, VAL182B, VAL182D, VAL185B, VAL185D
• B-E: ALA132E, ARG140B, ARG180B, ASP142B, ASP167E, CYS133E, CYS144B, CYS174B, CYS186E, CYS187E, GLU145B, GLU183E, GLY175B, HIS137E, HIS149B, HIS166E, ILE176B, LEU136E, LEU172B, LEU189E, LYS134E, LYS178B, MET141B, PHE135E, PHE179B, PHE184E, PRO173B, PRO188E, THR146B, TYR168E, VAL143B, VAL185E
• B-F: ALA132B, CYS133B, GLU131B, GLU139F, GLU183F, HIS137F, LEU171F, LEU172F, LEU189B, MET141F, PHE135F, PRO173F, PRO188B
• B-G: ARG180B, ARG180G, ASP177B, ASP177G, CYS144B, CYS144G, CYS174B, CYS174G, GLY175B, GLY175G, HIS147B, HIS147G, ILE176B, ILE176G, LEU171B, LEU172B, LEU172G, LYS178B, LYS178G, MET170B, MET170G, PHE179B, PHE179G, PRO173B, PRO173G
• B-H: ASP167H, ASP177B, CYS144B, CYS174B, CYS186H, GLU183H, GLY169H, GLY175B, HIS137H, HIS166H, ILE176B, LEU136H, LEU165H, LEU171H, LYS134H, LYS178B, MET170H, PHE135H, PHE184H, TYR168H, VAL182H, VAL185H
• C-D: ARG180C, ARG180D, ASP177C, ASP177D, CYS144C, CYS144D, CYS174C, CYS174D, GLY175C, GLY175D, HIS147C, HIS147D, ILE176C, ILE176D, LEU172C, LEU172D, LYS178C, LYS178D, MET170C, MET170D, PHE179C, PHE179D, PRO173C, PRO173D
• C-F: ASP167F, ASP177C, CYS144C, CYS174C, GLU183F, GLY169F, GLY175C, HIS137F, HIS166F, ILE176C, LEU136F, LEU165F, LEU171F, LYS178C, MET170F, PHE135F, PHE184F, TYR168F, VAL182F, VAL185F
• C-G: ALA132C, ALA132G, ARG180C, ARG180G, ASP167C, ASP167G, CYS133C, CYS133G, CYS186C, CYS186G, CYS187C, CYS187G, GLN138C, GLN138G, GLU131C, GLU131G, GLU139C, GLU139G, GLU183C, GLU183G, GLY169C, GLY169G, GLY181C, GLY181G, HIS137C, HIS137G, HIS166C, HIS166G, LEU136C, LEU136G, LEU171C, LEU171G, LEU172C, LEU172G, LYS134C, LYS134G, MET141C, MET141G, PHE135C, PHE135G, PHE184C, PHE184G, PRO173C, PRO173G, VAL182C, VAL182G, VAL185C, VAL185G
• C-H: ALA132C, CYS133C, GLU131C, GLU139H, GLU183H, HIS137H, LEU171H, LEU172H, LEU189C, MET141H, PHE135H, PRO173H, PRO188C
• D-E: ALA132D, CYS133D, GLU131D, GLU139E, GLU183E, HIS137E, LEU171E, LEU172E, LEU189D, MET141E, PHE135E, PRO173E, PRO188D
• D-F: ALA132F, ARG140D, ARG180D, ASP142D, ASP167F, CYS133F, CYS144D, CYS174D, CYS186F, CYS187F, GLU131F, GLU145D, GLU183F, GLY175D, HIS137F, HIS147D, HIS149D, HIS166F, ILE176D, LEU136F, LEU148D, LEU172D, LEU189F, LYS134F, LYS178D, MET141D, PHE135F, PHE179D, PHE184F, PRO173D, PRO188F, THR146D, THR152D, TRP150D, TYR168F, VAL143D, VAL153D, VAL185F
• D-G: ASN164D, ASP167D, ASP167G, ASP177D, ASP177G, CYS133D, CYS133G, CYS187D, CYS187G, GLY169D, GLY169G, HIS147D, HIS147G, HIS151D, HIS151G, HIS166D, HIS166G, ILE176D, ILE176G, LEU148D, LEU148G, LEU165D, LEU165G, LYS178D, LYS178G, MET170D, MET170G, PHE179D, PHE179G, PHE184D, THR146D, THR146G, TYR168D, TYR168G, VAL182D, VAL182G, VAL185D, VAL185G
• E-G: ASP167E, ASP177G, CYS144G, CYS174G, GLU183E, GLY169E, GLY175G, HIS137E, HIS166E, ILE176G, LEU136E, LEU165E, LEU171E, LYS178G, MET170E, PHE135E, PHE184E, TYR168E, VAL182E, VAL185E
• E-H: ASN164E, ASN164H, ASP167E, ASP167H, ASP177E, ASP177H, CYS133E, CYS133H, CYS187E, CYS187H, GLY169E, GLY169H, HIS147E, HIS147H, HIS151E, HIS151H, HIS166E, HIS166H, ILE176E, ILE176H, LEU148E, LEU148H, LEU165E, LEU165H, LEU189E, LEU189H, LYS155E, LYS155H, LYS178E, LYS178H, MET170E, MET170H, PHE179E, PHE179H, PRO188E, PRO188H, TYR168E, TYR168H, VAL182H, VAL185E, VAL185H
• G-H: ALA132H, ARG140G, ARG180G, ASP142G, ASP167H, CYS133H, CYS144G, CYS174G, CYS186H, CYS187H, GLU145G, GLU183H, GLY175G, HIS137H, HIS149G, HIS166H, ILE176G, LEU136H, LEU172G, LEU189H, LYS134H, LYS178G, MET141G, PHE135H, PHE179G, PHE184H, PRO173G, PRO188H, THR146G, TYR168H, VAL143G, VAL185H