3Q9J
aiifl segment derived from alzheimer's amyloid-beta displayed on 42- membered macrocycle scaffold
Total interactions analyzed 28
Total true interactions 16
Strongest Interaction Chains A-B
Int. Res. 13
Norm. En. per Res. -5.9577
Hub Node A(5)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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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 int. res.
A-B -25.2755 0.0 -52.1744 -77.4499 13 5 6 1966 0 0 0
A-C 0.0 0.0 -23.5065 -23.5065 14 1 2 1361 0 0 1
A-D 0.0 0.0 -7.8193 -7.8193 11 0 1 489 0 0 1
A-G 0.0 0.0 -3.9023 -3.9023 9 0 1 375 0 0 0
A-H 0.0 0.0 -4.769 -4.769 4 0 1 270 0 0 0
B-C 0.0 0.0 -7.5027 -7.5027 11 0 1 466 0 0 1
B-D 0.0 0.0 -23.5476 -23.5476 14 1 2 1360 0 0 1
B-G 0.0 0.0 -7.5147 -7.5147 5 0 1 287 0 0 0
B-H 0.0 0.0 -10.9658 -10.9658 9 0 1 456 0 0 0
C-D -22.0201 0.0 -52.1771 -74.1972 14 7 6 1965 0 0 0
E-F -22.2837 0.0 -58.0265 -80.3102 14 9 7 2201 0 0 0
E-G 0.0 0.0 -23.5985 -23.5985 14 1 2 1370 0 0 1
E-H 0.0 0.0 -8.0499 -8.0499 11 0 1 487 0 0 1
F-G 0.0 0.0 -7.68 -7.68 10 0 1 476 0 0 1
F-H 0.0 0.0 -22.6351 -22.6351 14 1 2 1331 0 0 1
G-H -26.2629 0.0 -53.8238 -80.0867 14 5 7 1888 0 0 0