BU1: 1,4-BUTANEDIOL
| Best-fitted instance in this entry |
| Other instances in this entry |
| 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 |
5KIJ_BU1_A_716 | 51% | 77% | 0.159 | 0.912 | 0.31 | 0.61 | - | - | 1 | 0 | 100% | 1 |
5KIJ_BU1_A_717 | 43% | 85% | 0.144 | 0.866 | 0.34 | 0.41 | - | - | 5 | 0 | 100% | 1 |
5KIJ_BU1_A_704 | 28% | 80% | 0.202 | 0.857 | 0.33 | 0.51 | - | - | 0 | 0 | 100% | 1 |
5KIJ_BU1_A_705 | 17% | 80% | 0.249 | 0.827 | 0.34 | 0.49 | - | - | 1 | 0 | 100% | 1 |
4OP4_BU1_B_305 | 99% | 89% | 0.05 | 0.984 | 0.24 | 0.39 | - | - | 0 | 0 | 100% | 1 |
4S27_BU1_A_707 | 98% | 96% | 0.057 | 0.983 | 0.13 | 0.21 | - | - | 0 | 0 | 100% | 0.53 |
3CED_BU1_A_402 | 96% | 81% | 0.071 | 0.978 | 0.22 | 0.6 | - | - | 0 | 0 | 100% | 1 |
4S28_BU1_A_706 | 95% | 97% | 0.077 | 0.982 | 0.19 | 0.14 | - | - | 0 | 0 | 100% | 0.52 |
4S29_BU1_A_703 | 93% | 94% | 0.084 | 0.98 | 0.17 | 0.27 | - | - | 0 | 0 | 100% | 0.5 |