Table 1 Details of predicted models
Number of Atoms | Molecular Formula | Molecular Composition | Molecular Weight | Exact Mol. Weight | Net Formal Charge | PDF Total Energy | PDF Physical Energy | DOPE Score | RMSD | NOverlap | Resolution |
|---|---|---|---|---|---|---|---|---|---|---|---|
3254 | C2070 H3318 N562 O606 S16 | C: 0.537, H: 0.072, N: 0.170, O: 0.209, S: 0.011 | 46289.4 | 46258.2 | 8 | 1887.2 | 1188.03 | -47020.4 | 0.242 | 424 | 1.67 |
2059.58 | 1208.39 | -47021 | 0.237 | 424 | |||||||
2065.97 | 1224.03 | -46514.5 | 0.204 | 424 | |||||||
2102.21 | 1227.73 | -46986.6 | 0.191 | 424 | |||||||
2122.72 | 1206.23 | -47019.9 | 0.242 | 424 |