2FQQ
crystal structure of human caspase-1 (cys285->ala, cys362->ala, cys364->ala, cys397->ala) in complex with 1-methyl-3-trifluoromethyl- 1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
Total interactions analyzed 1
Total true interactions 1
Strongest Interaction Chains A-B
Int. Res. 155
Norm. En. per Res. -4.1335
Hub Node A(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.
A-B -99.848 -15.1009 -525.736 -640.6849 155 22 13 20903 1 33 36