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. 2014 Jun 13;289(31):21573–21583. doi: 10.1074/jbc.M114.578187

TABLE 2.

Details of the docking results obtained using the balanced ClusPro score (E = 0.40Erep − 0.40Eatt + 600Eelec + 1.00EDARS (21)) for the 10 most populated protein-protein complex clusters indicating for each of them the distance between de centers of geometry of the heme group in MtbHbN and the flavin group in FdR

Cluster Members Representative Weighted Score Distance
Å
1 120 Center −608.0 18.3
Lowest energy −907.4
2 117 Center −606.5 29.6
Lowest energy −761.6
3 113 Center −627.5 21.7
Lowest energy −827.5
4 79 Center −686.6 34.5
Lowest energy −744.5
5 71 Center −584.6 20.5
Lowest energy −703.9
6 55 Center −588.3 28.2
Lowest energy −728.5
7 52 Center −605 24.2
Lowest energy −640.6
8 49 Center −586.5 19.5
Lowest energy −675.8
9 43 Center −701.8 41.5
Lowest energy −701.8
10 34 Center −607.8 19.4
Lowest energy −668.5