3H89
a combined crystallographic and molecular dynamics study of cathepsin-l retro-binding inhibitors(compound 4)
Total interactions analyzed 15
Total true interactions 3
Strongest Interaction Chains B-D
Int. Res. 15
Norm. En. per Res. -0.2679
Hub Node C(1)
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.
B-D 0.0 0.0 -4.0192 -4.0192 15 0 0 379 0 6 6
C-F 0.0 0.0 -0.8547 -0.8547 10 0 0 125 0 8 0
D-F 0.0 0.0 -0.0019 -0.0019 2 0 0 1 0 1 0