2BEG

3d structure of alzheimer's abeta(1-42) fibrils

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 52
  • Norm. En. per Res.: -12.9872
• 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	-292.2847	24.5143	-407.566	-675.3364	52	47	25	12360	2	3	5
A-C	0.0	4.7536	-7.292	-2.5384	52	0	1	919	0	1	5
A-D	0.0	0.0	-0.0199	-0.0199	4	0	0	5	0	1	4
B-C	-252.0108	16.3345	-375.925	-611.6013	52	56	23	12249	2	3	5
B-D	0.0	10.5	-4.3569	6.1431	51	0	1	587	0	2	5
B-E	0.0	0.0	-0.0211	-0.0211	2	0	0	5	0	1	3
C-D	-279.4531	30.7302	-366.282	-615.0049	52	46	26	12002	2	3	5
C-E	0.0	11.0941	-2.9705	8.1236	51	0	0	506	0	2	5
D-E	-284.2381	26.5104	-375.802	-633.5297	52	37	24	12036	2	3	5

Interface residues

• A-B: ALA21A, ALA21B, ALA30A, ALA30B, ALA42A, ALA42B, ASN27A, ASN27B, ASP23A, ASP23B, GLU22A, GLU22B, GLY25A, GLY25B, GLY29A, GLY29B, GLY33A, GLY33B, GLY37A, GLY37B, GLY38A, GLY38B, ILE31A, ILE31B, ILE32A, ILE32B, ILE41A, ILE41B, LEU17A, LEU17B, LEU34A, LEU34B, LYS28A, LYS28B, MET35A, MET35B, PHE19A, PHE19B, PHE20A, PHE20B, SER26A, SER26B, VAL18A, VAL18B, VAL24A, VAL24B, VAL36A, VAL36B, VAL39A, VAL39B, VAL40A, VAL40B
• A-C: ALA21A, ALA21C, ALA30A, ALA30C, ALA42A, ALA42C, ASN27A, ASN27C, ASP23A, ASP23C, GLU22A, GLU22C, GLY25A, GLY25C, GLY29A, GLY29C, GLY33A, GLY33C, GLY37A, GLY37C, GLY38A, GLY38C, ILE31A, ILE31C, ILE32A, ILE32C, ILE41A, ILE41C, LEU17A, LEU17C, LEU34A, LEU34C, LYS28A, LYS28C, MET35A, MET35C, PHE19A, PHE19C, PHE20A, PHE20C, SER26A, SER26C, VAL18A, VAL18C, VAL24A, VAL24C, VAL36A, VAL36C, VAL39A, VAL39C, VAL40A, VAL40C
• A-D: ASN27D, GLY38D, LYS28A, PHE19A
• B-C: ALA21B, ALA21C, ALA30B, ALA30C, ALA42B, ALA42C, ASN27B, ASN27C, ASP23B, ASP23C, GLU22B, GLU22C, GLY25B, GLY25C, GLY29B, GLY29C, GLY33B, GLY33C, GLY37B, GLY37C, GLY38B, GLY38C, ILE31B, ILE31C, ILE32B, ILE32C, ILE41B, ILE41C, LEU17B, LEU17C, LEU34B, LEU34C, LYS28B, LYS28C, MET35B, MET35C, PHE19B, PHE19C, PHE20B, PHE20C, SER26B, SER26C, VAL18B, VAL18C, VAL24B, VAL24C, VAL36B, VAL36C, VAL39B, VAL39C, VAL40B, VAL40C
• B-D: ALA21B, ALA21D, ALA30B, ALA30D, ALA42B, ALA42D, ASN27B, ASN27D, ASP23B, ASP23D, GLU22B, GLU22D, GLY25B, GLY25D, GLY29B, GLY29D, GLY33B, GLY37B, GLY37D, GLY38B, GLY38D, ILE31B, ILE31D, ILE32B, ILE32D, ILE41B, ILE41D, LEU17B, LEU17D, LEU34B, LEU34D, LYS28B, LYS28D, MET35B, MET35D, PHE19B, PHE19D, PHE20B, PHE20D, SER26B, SER26D, VAL18B, VAL18D, VAL24B, VAL24D, VAL36B, VAL36D, VAL39B, VAL39D, VAL40B, VAL40D
• B-E: GLY38E, PHE19B
• C-D: ALA21C, ALA21D, ALA30C, ALA30D, ALA42C, ALA42D, ASN27C, ASN27D, ASP23C, ASP23D, GLU22C, GLU22D, GLY25C, GLY25D, GLY29C, GLY29D, GLY33C, GLY33D, GLY37C, GLY37D, GLY38C, GLY38D, ILE31C, ILE31D, ILE32C, ILE32D, ILE41C, ILE41D, LEU17C, LEU17D, LEU34C, LEU34D, LYS28C, LYS28D, MET35C, MET35D, PHE19C, PHE19D, PHE20C, PHE20D, SER26C, SER26D, VAL18C, VAL18D, VAL24C, VAL24D, VAL36C, VAL36D, VAL39C, VAL39D, VAL40C, VAL40D
• C-E: ALA21C, ALA21E, ALA30C, ALA30E, ALA42C, ALA42E, ASN27C, ASN27E, ASP23C, ASP23E, GLU22C, GLU22E, GLY25C, GLY25E, GLY29E, GLY33C, GLY33E, GLY37C, GLY37E, GLY38C, GLY38E, ILE31C, ILE31E, ILE32C, ILE32E, ILE41C, ILE41E, LEU17C, LEU17E, LEU34C, LEU34E, LYS28C, LYS28E, MET35C, MET35E, PHE19C, PHE19E, PHE20C, PHE20E, SER26C, SER26E, VAL18C, VAL18E, VAL24C, VAL24E, VAL36C, VAL36E, VAL39C, VAL39E, VAL40C, VAL40E
• D-E: ALA21D, ALA21E, ALA30D, ALA30E, ALA42D, ALA42E, ASN27D, ASN27E, ASP23D, ASP23E, GLU22D, GLU22E, GLY25D, GLY25E, GLY29D, GLY29E, GLY33D, GLY33E, GLY37D, GLY37E, GLY38D, GLY38E, ILE31D, ILE31E, ILE32D, ILE32E, ILE41D, ILE41E, LEU17D, LEU17E, LEU34D, LEU34E, LYS28D, LYS28E, MET35D, MET35E, PHE19D, PHE19E, PHE20D, PHE20E, SER26D, SER26E, VAL18D, VAL18E, VAL24D, VAL24E, VAL36D, VAL36E, VAL39D, VAL39E, VAL40D, VAL40E