HTO: HEPTANE-1,2,3-TRIOL
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with same target (top 5) |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with different target (top 5) |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 5NJ4_HTO_H_709 | 31% | 74% | 0.158 | 0.826 | 0.41 | 0.58 | - | - | 0 | 0 | 100% | 1 |
| 5NJ4_HTO_H_708 | 5% | 72% | 0.434 | 0.85 | 0.53 | 0.55 | - | - | 0 | 0 | 100% | 1 |
| 5NJ4_HTO_L_305 | 3% | 67% | 0.393 | 0.751 | 0.51 | 0.76 | - | - | 0 | 0 | 100% | 1 |
| 3G7F_HTO_H_705 | 75% | 66% | 0.1 | 0.933 | 0.42 | 0.87 | - | - | 1 | 0 | 100% | 1 |
| 6ZIA_HTO_H_710 | 53% | 51% | 0.138 | 0.899 | 0.85 | 1.04 | - | 1 | 0 | 0 | 100% | 1 |
| 5O64_HTO_H_308 | 44% | 46% | 0.157 | 0.885 | 0.83 | 1.26 | - | 2 | 0 | 0 | 100% | 1 |
| 3T6D_HTO_H_272 | 43% | 38% | 0.169 | 0.894 | 0.74 | 1.68 | - | 3 | 1 | 0 | 100% | 0.75 |
| 6ZID_HTO_H_710 | 40% | 51% | 0.157 | 0.865 | 0.85 | 1.04 | - | 1 | 0 | 0 | 100% | 1 |
| 2HPY_HTO_B_1401 | 79% | 28% | 0.103 | 0.95 | 1.81 | 1.1 | 2 | 1 | 1 | 0 | 100% | 1 |
| 5IU8_HTO_A_2402 | 59% | 12% | 0.141 | 0.922 | 0.51 | 3.53 | - | 3 | 0 | 0 | 100% | 1 |
| 3DTU_HTO_B_1 | 59% | 73% | 0.153 | 0.934 | 0.21 | 0.82 | - | - | 1 | 1 | 100% | 1 |
| 4TSY_HTO_A_209 | 57% | 40% | 0.161 | 0.937 | 0.59 | 1.71 | - | 3 | 0 | 0 | 100% | 1 |
