7TIE


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
7TIE_EDO_C_307 91% 80% 0.075 0.9610.46 0.39 - -00100%1
7TIE_EDO_P_313 89% 72% 0.091 0.9710.57 0.5 - -00100%1
7TIE_EDO_G_103 88% 75% 0.096 0.970.39 0.57 - -00100%1
7TIE_EDO_N_609 85% 88% 0.11 0.9770.15 0.51 - -00100%1
7TIE_EDO_S_102 85% 81% 0.108 0.9730.48 0.35 - -00100%1
7TIE_EDO_B_306 84% 89% 0.091 0.9530.35 0.28 - -00100%1
7TIE_EDO_O_303 83% 94% 0.098 0.9570.39 0.05 - -00100%1
7TIE_EDO_B_304 81% 90% 0.127 0.9810.27 0.32 - -00100%1
7TIE_EDO_L_504 80% 96% 0.107 0.9550.12 0.23 - -00100%1
7TIE_EDO_F_706 78% 92% 0.118 0.960.32 0.19 - -00100%1
7TIE_EDO_F_701 77% 84% 0.142 0.9830.23 0.52 - -00100%1
7TIE_EDO_Q_1601 77% 100% 0.121 0.9610.11 0.07 - -00100%1
7TIE_EDO_N_611 77% 92% 0.108 0.9460.23 0.31 - -10100%1
7TIE_EDO_F_704 76% 96% 0.121 0.9560.1 0.27 - -00100%1
7TIE_EDO_E_205 74% 93% 0.122 0.9510.04 0.42 - -00100%1
7TIE_EDO_E_201 73% 100% 0.11 0.9380.08 0.11 - -00100%1
7TIE_EDO_A_614 72% 99% 0.117 0.9410.04 0.18 - -10100%1
7TIE_EDO_S_107 72% 81% 0.106 0.9280.09 0.72 - -00100%1
7TIE_EDO_F_707 68% 98% 0.15 0.9630.13 0.13 - -00100%1
7TIE_EDO_N_616 67% 93% 0.114 0.9220.16 0.31 - -00100%1
7TIE_EDO_A_616 67% 90% 0.139 0.9470.12 0.47 - -00100%1
7TIE_EDO_A_607 66% 73% 0.135 0.9410.4 0.63 - -00100%1
7TIE_EDO_R_202 65% 97% 0.136 0.9380.16 0.14 - -00100%1
7TIE_EDO_A_608 64% 95% 0.157 0.9570.34 0.07 - -00100%1
7TIE_EDO_G_106 64% 92% 0.102 0.8990.23 0.29 - -00100%1
7TIE_EDO_C_309 63% 95% 0.121 0.9160.12 0.28 - -00100%1
7TIE_EDO_I_103 62% 85% 0.12 0.9130.46 0.28 - -00100%1
7TIE_EDO_N_617 61% 91% 0.149 0.9370.23 0.34 - -00100%1
7TIE_EDO_E_202 61% 92% 0.158 0.9460.18 0.35 - -00100%1
7TIE_EDO_S_106 59% 92% 0.137 0.920.2 0.31 - -10100%1
7TIE_EDO_N_620 59% 91% 0.143 0.9250.27 0.29 - -00100%1
7TIE_EDO_B_309 59% 93% 0.107 0.8870.15 0.34 - -00100%1
7TIE_EDO_F_705 58% 86% 0.199 0.9780.35 0.36 - -00100%1
7TIE_EDO_T_1303 57% 94% 0.189 0.9670.31 0.15 - -00100%1
7TIE_EDO_C_308 56% 96% 0.101 0.8720.13 0.22 - -00100%1
7TIE_EDO_I_102 56% 100% 0.104 0.8750.07 0.11 - -00100%1
7TIE_EDO_C_312 55% 58% 0.152 0.9220.67 0.92 - -10100%1
7TIE_EDO_D_204 53% 96% 0.202 0.9660.21 0.17 - -00100%1
7TIE_EDO_N_619 53% 99% 0.183 0.9450.12 0.12 - -00100%1
7TIE_EDO_S_104 52% 96% 0.13 0.8880.22 0.15 - -00100%1
7TIE_EDO_B_305 51% 95% 0.15 0.9040.32 0.1 - -10100%1
7TIE_EDO_A_617 51% 78% 0.165 0.9190.3 0.58 - -00100%1
7TIE_EDO_S_103 51% 84% 0.132 0.8840.39 0.37 - -00100%1
7TIE_EDO_B_310 49% 98% 0.174 0.9230.08 0.18 - -00100%1
7TIE_EDO_N_610 49% 92% 0.227 0.9770.43 0.09 - -00100%1
7TIE_EDO_E_204 48% 100% 0.177 0.9220.1 0.07 - -00100%1
7TIE_EDO_Q_1604 48% 85% 0.154 0.8980.3 0.43 - -00100%1
7TIE_EDO_V_104 48% 63% 0.151 0.8930.57 0.83 - -00100%1
7TIE_EDO_Q_1602 45% 95% 0.178 0.9110.17 0.21 - -00100%1
7TIE_EDO_N_613 43% 98% 0.182 0.9070.21 0.09 - -00100%1
7TIE_EDO_A_612 43% 93% 0.198 0.9220.28 0.21 - -10100%1
7TIE_EDO_V_102 41% 92% 0.132 0.8440.12 0.38 - -00100%1
7TIE_EDO_D_202 40% 95% 0.135 0.8450.17 0.21 - -00100%1
7TIE_EDO_A_609 38% 91% 0.224 0.9280.36 0.2 - -00100%1
7TIE_EDO_G_105 37% 97% 0.18 0.8790.09 0.24 - -00100%1
7TIE_EDO_L_501 34% 97% 0.264 0.9520.16 0.15 - -00100%1
7TIE_EDO_S_105 34% 96% 0.214 0.8990.16 0.2 - -00100%1
7TIE_EDO_A_615 34% 97% 0.257 0.9430.1 0.21 - -10100%1
7TIE_EDO_J_103 34% 90% 0.252 0.9370.42 0.2 - -00100%1
7TIE_EDO_A_611 34% 88% 0.17 0.8520.35 0.31 - -10100%1
7TIE_EDO_F_702 34% 96% 0.216 0.8990.27 0.1 - -00100%1
7TIE_EDO_N_615 34% 67% 0.152 0.8320.63 0.66 - -10100%1
7TIE_EDO_C_313 34% 94% 0.22 0.9020.35 0.09 - -00100%1
7TIE_EDO_K_201 32% 98% 0.164 0.8370.1 0.15 - -00100%1
7TIE_EDO_E_203 30% 99% 0.251 0.9170.15 0.08 - -00100%1
7TIE_EDO_T_1301 30% 92% 0.225 0.890.36 0.18 - -00100%1
7TIE_EDO_N_614 29% 90% 0.211 0.8680.13 0.47 - -00100%1
7TIE_EDO_M_103 29% 94% 0.19 0.8450.11 0.33 - -00100%1
7TIE_EDO_D_203 28% 100% 0.295 0.9510.12 0.05 - -00100%1
7TIE_EDO_A_610 27% 100% 0.183 0.8320.11 0.08 - -00100%1
7TIE_EDO_W_301 26% 100% 0.296 0.9380.09 0.04 - -00100%1
7TIE_EDO_N_612 25% 72% 0.238 0.8760.38 0.7 - -20100%1
7TIE_EDO_O_302 24% 98% 0.219 0.8480.03 0.23 - -00100%1
7TIE_EDO_L_503 23% 100% 0.211 0.8360.09 0.1 - -00100%1
7TIE_EDO_U_1501 23% 86% 0.254 0.8750.31 0.4 - -30100%1
7TIE_EDO_Q_1603 22% 95% 0.231 0.8490.15 0.23 - -00100%1
7TIE_EDO_B_307 22% 91% 0.194 0.8080.27 0.29 - -00100%1
7TIE_EDO_B_311 21% 98% 0.268 0.8760.08 0.2 - -10100%1
7TIE_EDO_D_205 19% 95% 0.333 0.9320.1 0.31 - -00100%1
7TIE_EDO_B_308 18% 93% 0.254 0.8440.29 0.2 - -00100%1
7TIE_EDO_P_314 17% 97% 0.233 0.8090.05 0.25 - -00100%1
7TIE_EDO_N_621 16% 80% 0.214 0.7830.31 0.52 - -00100%1
7TIE_EDO_R_203 16% 100% 0.317 0.8860.01 0.1 - -10100%1
7TIE_EDO_V_103 14% 98% 0.226 0.7740.1 0.18 - -10100%1
7TIE_EDO_P_311 10% 97% 0.268 0.7710.09 0.24 - -00100%1
7TIE_EDO_H_101 10% 92% 0.35 0.8520.39 0.16 - -10100%1
7TIE_EDO_J_102 9% 96% 0.136 0.6230.15 0.2 - -00100%1
7TIE_EDO_P_310 4% 98% 0.294 0.6730.07 0.19 - -00100%1
7TIE_EDO_G_108 4% 97% 0.196 0.564 0.07 0.23 - -00100%1
7TIE_EDO_A_618 2% 82% 0.458 0.7550.28 0.52 - -20100%1
7TIE_EDO_W_303 0% 98% 0.496 0.448 0.1 0.17 - -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