3Q9I
lvffa segment from alzheimer's amyloid-beta displayed on 42-membered macrocycle scaffold, bromide derivative
Total interactions analyzed 28
Total true interactions 17
Strongest Interaction Chains A-B
Int. Res. 12
Norm. En. per Res. -6.4946
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 -37.5555 0.0 -40.3796 -77.9351 12 3 5 1296 0 0 0
A-C 0.0 0.0 -9.3656 -9.3656 10 0 2 604 0 0 1
A-D -2.4218 0.0 -11.5976 -14.0194 10 0 1 544 0 0 1
A-E 0.0 0.0 -21.4715 -21.4715 12 0 3 868 0 0 0
A-F 0.0 0.0 -3.4186 -3.4186 6 0 2 188 0 0 0
B-C -14.7612 1.7172 -13.4141 -26.4581 12 0 0 778 0 0 1
B-D 0.0 0.0 -0.4288 -0.4288 3 0 0 78 0 0 0
B-E 0.0 0.0 -5.3772 -5.3772 8 0 2 292 0 0 0
B-F 0.0 0.0 -22.5139 -22.5139 12 0 3 1010 0 0 1
C-D -38.7273 0.0 -38.7349 -77.4622 12 4 6 1325 0 0 1
C-G 0.0 0.0 -3.9533 -3.9533 7 0 2 198 0 0 0
C-H 0.0 0.0 -20.5177 -20.5177 12 0 3 880 0 0 0
D-E 0.0 0.0 -0.0847 -0.0847 2 0 0 25 0 0 0
D-G 0.0 0.0 -24.7509 -24.7509 12 1 3 1046 0 0 1
D-H 0.0 0.0 -4.7187 -4.7187 9 0 1 270 0 0 0
E-F -15.172 0.0 -35.6577 -50.8297 11 3 5 1371 0 0 0
G-H -15.4079 0.0 -34.8119 -50.2198 11 1 5 1370 0 0 0