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 |
|---|
| 1YF6_HTO_L_863 | 21% | 26% | 0.227 | 0.839 | 0.87 | 2.09 | - | 2 | 0 | 0 | 100% | 1 |
| 2WX5_HTO_M_1313 | 43% | 40% | 0.183 | 0.906 | 1.08 | 1.24 | 1 | 1 | 7 | 1 | 100% | 1 |
| 1RG5_HTO_L_707 | 29% | 44% | 0.253 | 0.911 | 0.59 | 1.54 | - | 2 | 0 | 0 | 100% | 0.5 |
| 6Z02_HTO_L_315 | 13% | 60% | 0.365 | 0.914 | 0.24 | 1.27 | - | 1 | 2 | 0 | 100% | 1 |
| 4IN6_HTO_L_305 | 7% | 28% | 0.396 | 0.864 | 1.19 | 1.67 | 1 | 3 | 0 | 0 | 100% | 1 |
| 2UXJ_HTO_L_1289 | 7% | 75% | 0.293 | 0.753 | 0.41 | 0.56 | - | - | 2 | 0 | 100% | 1 |
| 2HPY_HTO_B_1401 | 79% | 28% | 0.103 | 0.95 | 1.81 | 1.1 | 2 | 1 | 1 | 0 | 100% | 1 |
| 3G7F_HTO_H_705 | 75% | 66% | 0.1 | 0.933 | 0.42 | 0.87 | - | - | 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 |
