3FG0
1.85 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus (idp00699) in complex with nad+
Total interactions analyzed 28
Total true interactions 19
Strongest Interaction Chains A-B
Int. Res. 344
Norm. En. per Res. -4.0888
Hub Node B(5)
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 -319.7324 -15.1497 -1071.65 -1406.5321 344 43 30 43363 5 87 90
A-C -34.5641 -3.5785 -152.826 -190.9685 91 3 0 6725 0 50 32
A-D -53.5222 -30.6457 -160.455 -244.6228 90 6 1 6614 3 46 51
B-C -48.4633 -22.5447 -167.981 -238.989 90 6 1 6909 2 43 51
B-D -36.5982 7.6363 -162.7 -191.6619 92 5 0 6984 4 50 35
B-E -25.625 -6.1179 -51.9867 -83.7296 46 2 0 2569 5 41 43
B-G 0.0 0.0 -0.5435 -0.5435 6 0 0 55 0 2 1
B-H -7.2308 21.1137 -41.1678 -27.2849 48 8 0 2648 3 52 39
C-D -308.4807 -6.6975 -1081.7 -1396.8782 345 52 30 43341 6 87 90
D-E -11.2678 0.0 -7.1187 -18.3865 19 1 0 295 2 18 20
D-F -10.7237 -1.4808 -25.4389 -37.6435 32 1 0 1441 0 9 5
D-G -7.8599 -0.8174 -25.5253 -34.2026 27 1 0 1337 0 15 19
D-H 0.0 0.0 -2.8236 -2.8236 10 0 0 208 0 13 11
E-F -307.8684 4.9086 -1095.43 -1398.3898 345 57 27 43867 4 89 93
E-G -31.0713 10.7335 -162.204 -182.5418 95 4 0 6971 0 50 35
E-H -63.0747 -23.0846 -159.386 -245.5453 92 5 1 6796 2 44 52
F-G -62.8626 -22.7399 -165.382 -250.9845 90 8 1 6700 3 44 53
F-H -46.5479 4.7259 -154.931 -196.7531 92 8 0 6868 4 50 34
G-H -296.8013 -9.9095 -1081.02 -1387.7308 340 55 30 43399 3 87 88