3INL
human mitochondrial aldehyde dehydrogenase asian variant, aldh2*2, complexed with agonist alda-1
Total interactions analyzed 28
Total true interactions 15
Strongest Interaction Chains F-G
Int. Res. 128
Norm. En. per Res. -4.247
Hub Node B(4)
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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 -211.8847 -39.9571 -668.667 -920.5087 258 60 14 28356 4 41 48
A-C -37.5288 23.6679 -233.074 -246.9349 115 5 0 9436 2 42 38
A-D -147.2746 33.0684 -425.008 -539.2143 131 19 4 15076 2 44 53
B-C -134.2504 32.7505 -402.182 -503.6819 130 23 4 14803 2 46 54
B-D -36.6598 22.7758 -235.524 -249.408 119 6 0 9602 2 42 40
B-F 0.0 -4.7777 -1.962 -6.7396 14 0 0 253 0 5 5
B-G 0.0 12.6253 -0.3265 12.2988 10 0 0 36 0 7 23
C-D -218.2961 -32.4584 -703.002 -953.7565 257 52 14 29333 4 43 46
C-G 0.0 -9.9874 -4.244 -14.2314 18 0 0 350 0 5 7
E-F -210.7734 -27.9818 -706.276 -945.0313 262 41 15 29443 5 43 49
E-G -39.3557 22.539 -243.084 -259.9007 117 7 0 9765 2 42 40
E-H -152.5182 30.0306 -420.539 -543.0267 133 25 4 15014 2 44 54
F-G -140.2286 21.3658 -424.749 -543.6118 128 16 4 14876 2 44 52
F-H -35.4769 30.4774 -230.289 -235.2886 118 5 0 9502 2 42 39
G-H -210.6373 -32.3262 -704.57 -947.5334 263 55 15 29906 4 45 51