1MX9
crystal structure of human liver carboxylesterase in complexed with naloxone methiodide, a heroin analogue
Total interactions analyzed 66
Total true interactions 21
Strongest Interaction Chains I-J
Int. Res. 161
Norm. En. per Res. -2.9504
Hub Node A(5)
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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 -3.1917 -45.2197 -104.792 -153.2034 66 5 1 4888 2 29 19
A-C -5.3942 -39.8624 -96.2336 -141.4903 67 4 1 4761 2 29 19
A-F -30.8895 -16.051 -367.313 -414.2535 166 27 5 17899 7 64 66
A-G 0.0 6.2793 -0.0745 6.2049 8 0 0 28 0 5 4
A-L -45.594 -1.3441 -86.2601 -133.1981 64 9 1 3179 2 25 21
B-C -22.1693 -43.6932 -98.2991 -164.1616 68 6 1 4887 2 29 19
B-E -41.5122 -2.4341 -361.396 -405.3423 169 22 4 17520 8 66 67
C-D -49.1674 -10.1592 -387.989 -447.3156 161 39 5 18215 10 63 63
D-E -10.5665 -49.836 -105.378 -165.7805 72 6 1 4996 2 30 19
D-F -13.8139 -43.8673 -103.542 -161.2232 69 3 1 4823 2 29 19
E-F -22.6307 -44.6026 -105.362 -172.5953 70 2 1 4873 2 28 19
G-H -30.7777 -38.6901 -94.9546 -164.4225 69 5 1 4697 2 29 19
G-I -3.5919 -44.1032 -107.256 -154.9511 65 3 1 4839 2 29 19
G-J 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
G-L -31.5515 21.8438 -375.669 -385.3767 156 37 5 17387 5 62 68
H-I -2.9872 -38.3365 -107.274 -148.5978 67 2 1 5018 2 29 19
H-K -57.9966 -12.793 -380.302 -451.0916 171 24 5 18007 10 62 65
I-J -50.3357 -18.9733 -405.699 -475.008 161 40 4 18135 10 62 66
J-K -7.5619 -37.1573 -101.799 -146.5182 64 2 1 4761 2 29 19
J-L -19.204 -38.4222 -97.642 -155.2682 65 3 1 4631 2 29 19
K-L -4.728 -43.1346 -107.03 -154.8926 66 5 1 5073 2 29 21