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)
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
3T6D_HTO_H_272 43% 38% 0.169 0.8940.74 1.68 - 310100%0.75
3T6D_HTO_L_277 27% 53% 0.17 0.8150.45 1.35 - 120100%0.55
3T6D_HTO_L_278 18% 40% 0.203 0.7860.67 1.63 - 300100%0.55
3T6D_HTO_C_356 13% 33% 0.272 0.8170.75 1.85 - 300100%0.6
3T6D_HTO_C_355 11% 43% 0.241 0.7520.55 1.61 - 260100%0.75
3T6D_HTO_H_273 6% 57% 0.338 0.7630.44 1.21 - 120100%0.5
3T6D_HTO_L_276 4% 47% 0.481 0.8520.47 1.55 - 200100%0.65
3T6D_HTO_C_358 3% 19% 0.305 0.6560.73 2.66 - 400100%0.45
3T6D_HTO_L_279 2% 51% 0.322 0.5980.39 1.46 - 110100%0.5
3T6D_HTO_L_280 1% 61% 0.39 0.47 0.43 1.04 - 100100%0.45
3T6D_HTO_M_333 0% 23% 0.717 0.7810.48 2.65 - 400100%0.5
3T6D_HTO_C_357 0% 65% 0.614 0.6480.58 0.76 - -20100%0.55
3T6D_HTO_H_274 0% 72% 0.57 0.536 0.32 0.75 - -10100%0.4
3G7F_HTO_H_705 75% 66% 0.1 0.9330.42 0.87 - -10100%1
6ZIA_HTO_H_710 53% 51% 0.138 0.8990.85 1.04 - 100100%1
5O64_HTO_H_308 44% 46% 0.157 0.8850.83 1.26 - 200100%1
6ZID_HTO_H_710 40% 51% 0.157 0.8650.85 1.04 - 100100%1
6ZI6_HTO_H_710 36% 51% 0.17 0.860.85 1.04 - 100100%1
2HPY_HTO_B_1401 79% 28% 0.103 0.951.81 1.1 2 110100%1
5IU8_HTO_A_2402 59% 12% 0.141 0.9220.51 3.53 - 300100%1
3DTU_HTO_B_1 59% 73% 0.153 0.9340.21 0.82 - -11100%1
4TSY_HTO_A_209 57% 40% 0.161 0.9370.59 1.71 - 300100%1