2PE: NONAETHYLENE GLYCOL
| 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 |
6NPU_2PE_B_606 | 22% | 69% | 0.238 | 0.856 | 0.53 | 0.68 | - | - | 8 | 0 | 100% | 1 |
6NPE_2PE_B_605 | 20% | 57% | 0.217 | 0.816 | 0.56 | 1.08 | - | 2 | 7 | 0 | 100% | 1 |
6NPV_2PE_B_606 | 15% | 61% | 0.219 | 0.782 | 0.54 | 0.96 | - | - | 8 | 0 | 100% | 1 |
3PYY_2PE_B_170 | 14% | 65% | 0.227 | 0.781 | 0.55 | 0.79 | - | - | 7 | 0 | 100% | 1 |
5V2O_2PE_A_102 | 95% | 52% | 0.076 | 0.979 | 0.79 | 1.06 | - | 1 | 0 | 0 | 100% | 1 |
2C4B_2PE_A_1145 | 81% | 60% | 0.062 | 0.959 | 0.63 | 0.9 | - | - | 0 | 0 | 75% | 1 |
3NYY_2PE_A_280 | 76% | 75% | 0.106 | 0.943 | 0.54 | 0.43 | - | - | 0 | 0 | 100% | 1 |
1Y89_2PE_B_242 | 74% | 70% | 0.105 | 0.936 | 0.45 | 0.71 | - | - | 2 | 0 | 100% | 1 |
7EHS_2PE_A_517 | 74% | 86% | 0.096 | 0.926 | 0.27 | 0.45 | - | - | 4 | 0 | 100% | 1 |