3BR1
crystal structure of the complex of dequalinium bound to qacr(e90q), a mutant of a multidrug binding transcriptional repressor
Total interactions analyzed 6
Total true interactions 4
Strongest Interaction Chains B-A
Int. Res. 141
Norm. En. per Res. -2.9632
Hub Node D(2)
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-A -8.257 -18.5472 -391.0 -417.8042 141 17 21 17035 3 27 29
D-A 0.0 0.0 -0.0865 -0.0865 2 0 0 29 0 1 1
D-E 0.0 26.2861 -441.231 -414.9449 154 31 20 17883 0 27 31
A-E -3.7655 -14.0924 -110.006 -127.8639 56 1 3 3887 1 16 21