BU3: (R,R)-2,3-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 |
4AAN_BU3_A_1347 | 98% | 74% | 0.057 | 0.983 | 0.37 | 0.64 | - | - | 0 | 0 | 100% | 1 |
4AAN_BU3_A_1348 | 90% | 43% | 0.075 | 0.957 | 1.08 | 1.14 | - | - | 0 | 0 | 100% | 1 |
4AAN_BU3_A_1349 | 50% | 48% | 0.145 | 0.896 | 0.32 | 1.66 | - | 2 | 1 | 0 | 100% | 1 |
4AAN_BU3_A_1350 | 26% | 70% | 0.17 | 0.808 | 0.51 | 0.65 | - | - | 0 | 0 | 100% | 1 |
1Z2U_BU3_A_201 | 97% | 79% | 0.067 | 0.984 | 0.36 | 0.51 | - | - | 0 | 0 | 100% | 1 |
5AGV_BU3_B_513 | 96% | 75% | 0.068 | 0.977 | 0.54 | 0.44 | - | - | 0 | 0 | 100% | 1 |
6R6U_BU3_B_502 | 92% | 89% | 0.071 | 0.962 | 0.11 | 0.52 | - | - | 0 | 0 | 100% | 1 |
5LHM_BU3_A_1004 | 83% | 95% | 0.075 | 0.934 | 0.1 | 0.31 | - | - | 0 | 0 | 100% | 1 |
7B95_BU3_B_704 | 78% | 85% | 0.096 | 0.939 | 0.44 | 0.31 | - | - | 0 | 0 | 100% | 1 |