EDO: 1,2-ETHANEDIOL
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
9IKI_EDO_S_102 | 96% | 76% | 0.067 | 0.976 | 0.41 | 0.54 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_B_305 | 95% | 91% | 0.078 | 0.981 | 0.17 | 0.39 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_S_103 | 90% | 89% | 0.089 | 0.97 | 0.39 | 0.24 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_O_309 | 80% | 94% | 0.118 | 0.966 | 0.27 | 0.18 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_F_103 | 77% | 75% | 0.114 | 0.952 | 0.39 | 0.57 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_T_106 | 76% | 94% | 0.117 | 0.954 | 0.26 | 0.18 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_F_102 | 75% | 91% | 0.117 | 0.951 | 0.36 | 0.22 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_G_103 | 56% | 99% | 0.163 | 0.935 | 0.16 | 0.05 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_N_611 | 52% | 91% | 0.158 | 0.914 | 0.5 | 0.07 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_N_614 | 50% | 95% | 0.186 | 0.936 | 0.24 | 0.16 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_A_613 | 46% | 81% | 0.194 | 0.93 | 0.46 | 0.37 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_E_201 | 45% | 95% | 0.212 | 0.943 | 0.24 | 0.16 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_A_612 | 43% | 77% | 0.205 | 0.929 | 0.73 | 0.21 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_N_613 | 43% | 88% | 0.182 | 0.904 | 0.36 | 0.3 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_P_320 | 42% | 88% | 0.228 | 0.949 | 0.46 | 0.22 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_R_202 | 41% | 98% | 0.203 | 0.921 | 0.19 | 0.09 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_N_615 | 40% | 74% | 0.219 | 0.93 | 0.73 | 0.31 | - | - | 1 | 0 | 100% | 0.5 |
9IKI_EDO_R_201 | 38% | 72% | 0.247 | 0.95 | 0.73 | 0.35 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_P_319 | 35% | 92% | 0.22 | 0.909 | 0.33 | 0.19 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_C_322 | 32% | 93% | 0.244 | 0.919 | 0.45 | 0.06 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_E_202 | 29% | 98% | 0.242 | 0.901 | 0.29 | 0.01 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_A_610 | 22% | 92% | 0.238 | 0.853 | 0.32 | 0.21 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_R_203 | 15% | 74% | 0.285 | 0.851 | 0.64 | 0.39 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_C_321 | 15% | 94% | 0.295 | 0.859 | 0.13 | 0.29 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_N_612 | 15% | 94% | 0.287 | 0.847 | 0.23 | 0.22 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_C_323 | 12% | 61% | 0.317 | 0.849 | 0.78 | 0.73 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_A_611 | 11% | 90% | 0.314 | 0.839 | 0.36 | 0.26 | - | - | 1 | 0 | 100% | 0.5 |
9IKI_EDO_D_202 | 8% | 97% | 0.363 | 0.837 | 0.21 | 0.13 | - | - | 0 | 0 | 100% | 0.5 |
9IKI_EDO_P_321 | 5% | 62% | 0.37 | 0.777 | 0.42 | 1.01 | - | - | 0 | 0 | 100% | 0.5 |
5B1B_EDO_B_303 | 100% | 77% | 0.04 | 0.984 | 0.57 | 0.35 | - | - | 0 | 0 | 100% | 1 |
3AG2_EDO_F_102 | 100% | 66% | 0.046 | 0.989 | 0.9 | 0.43 | - | - | 0 | 0 | 100% | 1 |
7YPY_EDO_S_106 | 100% | 84% | 0.044 | 0.985 | 0.7 | 0.08 | - | - | 0 | 0 | 100% | 1 |
5ZCQ_EDO_E_203 | 98% | 62% | 0.057 | 0.983 | 0.5 | 0.93 | - | - | 0 | 0 | 100% | 1 |
7VVR_EDO_F_102 | 98% | 56% | 0.063 | 0.989 | 1.04 | 0.66 | - | - | 0 | 0 | 100% | 1 |
2G8S_EDO_A_3016 | 100% | 84% | 0.02 | 0.992 | 0.42 | 0.35 | - | - | 0 | 0 | 100% | 0.5 |
3DPJ_EDO_F_193 | 100% | 76% | 0.023 | 0.995 | 0.41 | 0.53 | - | - | 1 | 0 | 100% | 1 |
4EYG_EDO_A_402 | 100% | 81% | 0.024 | 0.995 | 0.44 | 0.39 | - | - | 0 | 0 | 100% | 1 |
4NMU_EDO_D_206 | 100% | 92% | 0.025 | 0.997 | 0.38 | 0.14 | - | - | 0 | 0 | 100% | 1 |
4Q6J_EDO_A_302 | 100% | 82% | 0.013 | 0.999 | 0.37 | 0.42 | - | - | 0 | 0 | 100% | 1 |