Table 3.
Native topomer thermodynamic averages
| lc = 4, rc = 8 Å | lc = 12, rc = 8 Å | lc = 4, rc = 6 Å | lc = 12, rc = 6 Å | |||||||||
| <Q> | <rmsd> | <Rg> | <Q> | <rmsd> | <Rg> | <Q> | <rmsd> | <Rg> | <Q> | <rmsd> | <Rg> | |
| 1aps | 0.99 | 0.97 | 12.5 | 0.96 | 1.43 | 12.5 | 0.97 | 3.09 | 12.6 | 0.86 | 5.37 | 12.6 |
| 2ci2 | 0.95 | 2.19 | 10.4 | 0.90 | 2.68 | 10.3 | 0.92 | 4.74 | 10.8 | 0.79 | 5.21 | 11.0 |
| 1urn | 0.96 | 2.45 | 11.9 | 0.86 | 3.06 | 12.0 | 0.90 | 6.73 | 12.9 | 0.70 | 7.41 | 13.4 |
| 1lmb | 0.87 | 3.07 | 10.8 | 0.58 | 4.44 | 11.1 | 0.83 | 9.42 | 12.9 | 0.34 | 11.0 | 14.3 |
Thermodynamic averages (denoted by <...>) of fraction of native contacts (Q), root-mean-square deviation (rmsd, in Å ), and radius of gyration (Rg in Å ), are obtained from simulations of the energy function Etop (see equation 2) at temperature T = 1.0. Q is calculated using the contact definition rij<1.2rnij.