Table 2 Weights of energy terms during the iteration process of BARS
| Â | Â | Weights at iteration | |||||
|---|---|---|---|---|---|---|---|
Energy terms | Initial weights | #1 | #2 | #3 | #4 | #5 | #6 |
Env | 1.00 | 1.00 | 0.97 | 0.48 | 0.49 | 1.26 | 1.30 |
Pair | 1.00 | 1.23 | 1.22 | 0.64 | 2.71 | 2.62 | 2.59 |
Vdw | 1.00 | 1.06 | 0.88 | 0.61 | 0.55 | 0.55 | 0.55 |
Hs | 1.00 | 1.70 | 1.70 | 1.06 | 0.09 | 0.09 | 0.09 |
Ss | 1.00 | 1.00 | 1.00 | 0.48 | 0.48 | 0.48 | 0.48 |
Sheet | 1.00 | 1.00 | 1.00 | 1.00 | 3.48 | 3.48 | 3.48 |
R-sigma | 1.00 | 1.00 | 1.00 | 0.53 | 0.53 | 0.53 | 0.53 |
Cb | 1.00 | 0.02 | 0.01 | 0.41 | 0.00 | 0.00 | 0.05 |
Rg | 3.00 | 3.00 | 3.14 | 6.05 | 0.49 | 0.49 | 0.49 |
Contact order | 1.00 | 1.00 | 1.05 | 0.74 | 0.00 | 0.00 | 0.00 |
Ramachandran | 0.00 | 0.00 | 0.00 | 0.01 | 0.91 | 1.01 | 1.02 |
Hb-srbb | 0.00 | 0.00 | 0.02 | 0.00 | 3.27 | 2.49 | 2.41 |
Hb-lrbb | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |