3AG2


EDO: 1,2-ETHANEDIOL

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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
3AG2_EDO_F_102 100% 66% 0.046 0.9890.9 0.43 - -00100%1
3AG2_EDO_B_305 95% 65% 0.074 0.9770.66 0.67 - -00100%1
3AG2_EDO_S_102 94% 59% 0.079 0.9780.81 0.77 - -00100%1
3AG2_EDO_A_615 93% 82% 0.07 0.9650.67 0.14 - -00100%1
3AG2_EDO_C_309 89% 76% 0.073 0.9530.68 0.27 - -10100%1
3AG2_EDO_E_203 88% 89% 0.096 0.9710.52 0.12 - -10100%1
3AG2_EDO_N_609 87% 62% 0.085 0.9570.84 0.63 - -00100%1
3AG2_EDO_A_617 87% 71% 0.093 0.9640.38 0.72 - -00100%1
3AG2_EDO_N_612 86% 69% 0.104 0.9740.66 0.55 - -00100%1
3AG2_EDO_A_614 86% 57% 0.09 0.9580.72 0.93 - -00100%1
3AG2_EDO_T_103 85% 70% 0.112 0.9790.55 0.6 - -00100%1
3AG2_EDO_E_204 84% 81% 0.099 0.9620.51 0.31 - -00100%1
3AG2_EDO_N_611 83% 79% 0.115 0.9740.53 0.34 - -10100%1
3AG2_EDO_Q_201 82% 75% 0.114 0.9690.3 0.68 - -10100%1
3AG2_EDO_S_104 82% 82% 0.088 0.9420.7 0.11 - -00100%1
3AG2_EDO_N_610 82% 73% 0.106 0.960.63 0.41 - -00100%1
3AG2_EDO_B_306 81% 81% 0.096 0.9490.56 0.27 - -00100%1
3AG2_EDO_A_612 78% 60% 0.138 0.9810.91 0.63 - -00100%1
3AG2_EDO_O_306 77% 87% 0.091 0.9290.55 0.15 - -00100%1
3AG2_EDO_S_105 76% 77% 0.135 0.9730.4 0.51 - -00100%1
3AG2_EDO_G_105 76% 74% 0.148 0.9850.7 0.31 - -00100%1
3AG2_EDO_F_105 75% 70% 0.133 0.9660.62 0.53 - -00100%1
3AG2_EDO_Q_202 74% 90% 0.108 0.9370.37 0.23 - -10100%1
3AG2_EDO_N_613 74% 80% 0.119 0.9480.51 0.34 - -00100%1
3AG2_EDO_H_102 73% 80% 0.126 0.9520.46 0.39 - -00100%1
3AG2_EDO_A_618 72% 72% 0.109 0.9320.71 0.38 - -00100%1
3AG2_EDO_P_310 71% 78% 0.141 0.9630.2 0.68 - -00100%1
3AG2_EDO_C_310 68% 80% 0.154 0.9670.5 0.34 - -00100%1
3AG2_EDO_D_202 68% 89% 0.137 0.9490.53 0.13 - -00100%1
3AG2_EDO_A_613 67% 83% 0.114 0.9210.64 0.15 - -00100%1
3AG2_EDO_F_103 66% 77% 0.167 0.9730.76 0.19 - -00100%1
3AG2_EDO_S_107 64% 70% 0.158 0.9580.6 0.57 - -00100%1
3AG2_EDO_R_201 64% 76% 0.113 0.910.64 0.32 - -00100%1
3AG2_EDO_P_312 61% 78% 0.119 0.9080.71 0.19 - -00100%1
3AG2_EDO_A_621 61% 54% 0.156 0.9450.93 0.87 - -00100%1
3AG2_EDO_D_203 60% 75% 0.177 0.9640.44 0.55 - -10100%1
3AG2_EDO_U_101 55% 73% 0.165 0.9330.47 0.58 - -00100%1
3AG2_EDO_T_104 51% 82% 0.175 0.9310.44 0.36 - -00100%1
3AG2_EDO_I_101 49% 78% 0.1 0.8450.72 0.19 - -00100%1
3AG2_EDO_E_202 49% 79% 0.211 0.9590.66 0.21 - -00100%1
3AG2_EDO_A_622 49% 87% 0.204 0.9510.47 0.24 - -00100%1
3AG2_EDO_O_305 47% 73% 0.129 0.8670.52 0.52 - -10100%1
3AG2_EDO_F_104 45% 67% 0.188 0.920.64 0.62 - -00100%1
3AG2_EDO_S_106 44% 79% 0.165 0.8910.6 0.28 - -00100%1
3AG2_EDO_N_614 42% 88% 0.147 0.8660.52 0.17 - -00100%1
3AG2_EDO_A_611 41% 61% 0.168 0.8820.55 0.92 - -00100%1
3AG2_EDO_E_201 37% 76% 0.217 0.9160.44 0.5 - -00100%1
3AG2_EDO_K_101 36% 72% 0.186 0.8770.68 0.4 - -00100%1
3AG2_EDO_S_103 30% 52% 0.164 0.8280.59 1.26 - -00100%1
3AG2_EDO_H_101 30% 84% 0.191 0.8550.51 0.26 - -00100%1
3AG2_EDO_D_204 29% 76% 0.205 0.8650.53 0.42 - -20100%1
3AG2_EDO_C_311 29% 86% 0.213 0.8730.5 0.23 - -00100%1
3AG2_EDO_G_104 26% 79% 0.251 0.8930.72 0.17 - -00100%1
3AG2_EDO_F_106 25% 76% 0.22 0.8530.56 0.4 - -00100%1
3AG2_EDO_A_616 25% 62% 0.162 0.7930.89 0.56 - -00100%1
3AG2_EDO_O_307 24% 75% 0.19 0.820.79 0.22 - -00100%1
3AG2_EDO_V_101 22% 79% 0.279 0.8960.67 0.21 - -00100%1
3AG2_EDO_A_610 21% 56% 0.191 0.8011.07 0.62 - -00100%1
3AG2_EDO_L_101 19% 67% 0.172 0.7680.92 0.36 - -10100%1
3AG2_EDO_A_619 19% 96% 0.216 0.8130.16 0.2 - -50100%1
3AG2_EDO_P_311 16% 65% 0.266 0.8360.78 0.57 - -00100%1
3AG2_EDO_A_620 13% 63% 0.345 0.8860.6 0.82 - -00100%1
3AG2_EDO_V_102 8% 87% 0.28 0.7610.6 0.1 - -00100%1
3AG2_EDO_D_205 4% 83% 0.426 0.8080.66 0.13 - -00100%1
3AG2_EDO_C_312 4% 76% 0.47 0.850.67 0.3 - -10100%1
3AG2_EDO_R_202 3% 85% 0.335 0.6710.52 0.24 - -00100%1
7YPY_EDO_S_106 100% 84% 0.044 0.9850.7 0.08 - -00100%1
5ZCQ_EDO_E_203 98% 62% 0.057 0.9830.5 0.93 - -00100%1
7VVR_EDO_F_102 98% 56% 0.063 0.9891.04 0.66 - -00100%1
7W3E_EDO_G_103 98% 67% 0.058 0.9790.72 0.56 - -00100%1
5ZCP_EDO_S_102 97% 61% 0.072 0.9871.07 0.43 - -00100%1
6ANS_EDO_A_404 100% 89% 0.029 0.9950.57 0.07 - -00100%1
4FQI_EDO_A_401 100% 85% 0.032 0.9920.46 0.29 - -00100%1
4KXW_EDO_A_1003 100% 73% 0.033 0.9930.64 0.4 - -00100%1
8JK3_EDO_A_304 100% 81% 0.033 0.9920.22 0.58 - -00100%1
3G7R_EDO_B_961 100% 85% 0.035 0.9880.45 0.3 - -10100%1