2HRR
crystal structure of human liver carboxylesterase 1 (hce1) in covalent complex with the nerve agent tabun (ga)
Total interactions analyzed 3
Total true interactions 3
Strongest Interaction Chains A-C
Int. Res. 70
Norm. En. per Res. -3.1757
Hub Node A(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.
A-B -27.5016 -64.0144 -107.606 -199.122 66 8 1 5083 3 30 19
A-C -41.3398 -69.5291 -111.43 -222.2989 70 9 1 5271 3 29 20
B-C -18.5246 -52.3005 -109.251 -180.0761 72 6 1 5236 3 29 19