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 |
3G7F_HTO_H_705 | 67% | 67% | 0.131 | 0.94 | 0.41 | 0.84 | - | - | 1 | 0 | 100% | 1 |
3G7F_HTO_C_706 | 29% | 73% | 0.212 | 0.87 | 0.43 | 0.61 | - | - | 1 | 0 | 100% | 1 |
3G7F_HTO_C_707 | 24% | 55% | 0.222 | 0.852 | 0.77 | 0.97 | - | - | 1 | 0 | 100% | 1 |
3G7F_HTO_L_708 | 0% | 74% | 1.899 | 0.222 | 0.22 | 0.78 | - | - | 0 | 0 | 100% | 1 |
3G7F_HTO_L_709 | 0% | 75% | 1.789 | -0.185 | 0.22 | 0.74 | - | - | 0 | 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 |
6ZI6_HTO_H_710 | 36% | 51% | 0.17 | 0.86 | 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 |