2E8D

3d structure of amyloid protofilaments of beta2- microglobulin fragment probed by solid-state nmr

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 44
  • Norm. En. per Res.: -7.9742
• Hub Node: A(2)

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	-104.3178	60.2672	-267.356	-311.4066	44	30	10	9995	0	5	11
A-C	0.0	3.7151	-1.3627	2.3525	32	0	0	365	0	2	10
B-C	-131.8519	59.5466	-278.561	-350.8663	44	31	11	10340	0	3	11
B-D	0.0	12.9793	-1.0134	11.9659	33	0	0	299	0	3	9
C-D	-117.9428	87.9903	-297.485	-327.4375	44	30	10	9631	0	5	11

Interface residues

• A-B: ASN24B, ASN27B, ASN2A, ASN5A, ASP15A, ASP19A, ASP37B, ASP41B, CYS28B, CYS6A, GLU17A, GLU39B, GLY10A, GLY32B, HIS12A, HIS34B, ILE16A, ILE38B, LEU20A, LEU21A, LEU26B, LEU42B, LEU43B, LEU4A, LYS22A, LYS44B, PHE11A, PHE25B, PHE33B, PHE3A, PRO13A, PRO35B, SER14A, SER1A, SER23B, SER31B, SER36B, SER9A, TYR29B, TYR7A, VAL18A, VAL30B, VAL40B, VAL8A
• A-C: ASN2A, ASN46C, ASN49C, ASN5A, ASP15A, ASP19A, ASP59C, ASP63C, CYS50C, CYS6A, GLU17A, GLU61C, ILE16A, ILE60C, LEU20A, LEU21A, LEU48C, LEU4A, LEU64C, LEU65C, LYS66C, PHE11A, PHE3A, PHE55C, SER58C, SER9A, TYR51C, TYR7A, VAL18A, VAL52C, VAL62C, VAL8A
• B-C: ASN24B, ASN27B, ASN46C, ASN49C, ASP37B, ASP41B, ASP59C, ASP63C, CYS28B, CYS50C, GLU39B, GLU61C, GLY32B, GLY54C, HIS34B, HIS56C, ILE38B, ILE60C, LEU26B, LEU42B, LEU43B, LEU48C, LEU64C, LEU65C, LYS44B, LYS66C, PHE25B, PHE33B, PHE47C, PHE55C, PRO35B, PRO57C, SER23B, SER31B, SER36B, SER45C, SER53C, SER58C, TYR29B, TYR51C, VAL30B, VAL40B, VAL52C, VAL62C
• B-D: ASN27B, ASN68D, ASN71D, ASP37B, ASP41B, ASP81D, ASP85D, CYS28B, CYS72D, GLU83D, GLY32B, ILE38B, ILE82D, LEU26B, LEU42B, LEU43B, LEU70D, LEU86D, LEU87D, LYS88D, PHE25B, PHE77D, PRO35B, SER31B, SER36B, SER75D, SER80D, TYR29B, TYR73D, VAL30B, VAL40B, VAL74D, VAL84D
• C-D: ASN46C, ASN49C, ASN68D, ASN71D, ASP59C, ASP63C, ASP81D, ASP85D, CYS50C, CYS72D, GLU61C, GLU83D, GLY54C, GLY76D, HIS56C, HIS78D, ILE60C, ILE82D, LEU48C, LEU64C, LEU65C, LEU70D, LEU86D, LEU87D, LYS66C, LYS88D, PHE47C, PHE55C, PHE69D, PHE77D, PRO57C, PRO79D, SER45C, SER53C, SER58C, SER67D, SER75D, SER80D, TYR51C, TYR73D, VAL52C, VAL62C, VAL74D, VAL84D