7THU


EDO: 1,2-ETHANEDIOL

Help


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
7THU_EDO_B_303 88% 87% 0.107 0.9830.4 0.31 - -00100%1
7THU_EDO_O_304 87% 88% 0.106 0.980.28 0.39 - -00100%1
7THU_EDO_S_2203 81% 89% 0.116 0.9670.35 0.28 - -00100%1
7THU_EDO_A_618 79% 85% 0.089 0.9330.16 0.58 - -00100%1
7THU_EDO_N_619 79% 97% 0.123 0.9680.11 0.2 - -10100%1
7THU_EDO_C_308 77% 93% 0.133 0.9730.36 0.12 - -00100%1
7THU_EDO_A_616 77% 97% 0.119 0.9570.08 0.23 - -10100%1
7THU_EDO_G_1301 76% 85% 0.146 0.9830.22 0.51 - -00100%1
7THU_EDO_N_608 72% 86% 0.148 0.9730.25 0.46 - -00100%1
7THU_EDO_A_613 71% 81% 0.134 0.9560.38 0.43 - -10100%1
7THU_EDO_Q_204 70% 98% 0.15 0.9690.22 0.06 - -00100%1
7THU_EDO_I_103 70% 90% 0.099 0.9140.17 0.43 - -00100%1
7THU_EDO_N_615 69% 94% 0.139 0.9550.11 0.31 - -00100%1
7THU_EDO_P_311 69% 81% 0.119 0.9320.37 0.44 - -00100%1
7THU_EDO_A_609 67% 97% 0.165 0.9740.2 0.12 - -00100%1
7THU_EDO_J_1104 66% 68% 0.123 0.9290.49 0.73 - -10100%1
7THU_EDO_Q_203 66% 96% 0.116 0.920.2 0.16 - -00100%1
7THU_EDO_N_610 65% 70% 0.132 0.9340.38 0.77 - -00100%1
7THU_EDO_N_618 62% 97% 0.162 0.9560.18 0.13 - -00100%1
7THU_EDO_F_701 62% 91% 0.182 0.9760.14 0.44 - -00100%1
7THU_EDO_B_305 62% 94% 0.149 0.9410.13 0.31 - -00100%1
7THU_EDO_E_202 62% 98% 0.172 0.9640.13 0.15 - -00100%1
7THU_EDO_B_307 61% 95% 0.139 0.9270.16 0.24 - -00100%1
7THU_EDO_A_620 59% 94% 0.178 0.9620.3 0.13 - -00100%1
7THU_EDO_D_203 58% 99% 0.185 0.9660.09 0.12 - -00100%1
7THU_EDO_F_704 56% 93% 0.178 0.9520.15 0.31 - -00100%1
7THU_EDO_N_611 56% 98% 0.127 0.8990.18 0.09 - -00100%1
7THU_EDO_S_2204 55% 82% 0.168 0.9380.32 0.48 - -00100%1
7THU_EDO_R_201 53% 98% 0.157 0.9190.1 0.16 - -00100%1
7THU_EDO_A_612 53% 95% 0.135 0.8960.2 0.19 - -00100%1
7THU_EDO_F_705 52% 86% 0.209 0.9690.33 0.39 - -00100%1
7THU_EDO_E_203 52% 89% 0.199 0.9570.22 0.41 - -00100%1
7THU_EDO_D_208 51% 97% 0.178 0.9340.16 0.16 - -00100%1
7THU_EDO_Q_202 51% 94% 0.177 0.9320.18 0.24 - -00100%1
7THU_EDO_W_301 47% 90% 0.178 0.9170.18 0.42 - -00100%1
7THU_EDO_C_311 43% 97% 0.153 0.8770.12 0.19 - -00100%1
7THU_EDO_J_1101 42% 84% 0.225 0.9470.47 0.29 - -10100%1
7THU_EDO_V_104 42% 80% 0.172 0.8920.37 0.48 - -00100%1
7THU_EDO_A_617 42% 96% 0.255 0.9760.15 0.2 - -00100%1
7THU_EDO_B_308 40% 100% 0.211 0.9230.08 0.08 - -00100%1
7THU_EDO_A_608 39% 89% 0.208 0.9160.31 0.34 - -10100%1
7THU_EDO_D_207 39% 96% 0.214 0.9220.24 0.12 - -00100%1
7THU_EDO_T_105 38% 95% 0.267 0.9720.05 0.36 - -00100%1
7THU_EDO_D_205 37% 89% 0.201 0.8990.31 0.33 - -00100%1
7THU_EDO_D_202 34% 97% 0.275 0.9620.12 0.21 - -00100%1
7THU_EDO_E_205 34% 98% 0.198 0.8810.07 0.22 - -00100%1
7THU_EDO_U_1501 33% 81% 0.242 0.9220.27 0.54 - -30100%1
7THU_EDO_N_614 32% 68% 0.284 0.9610.53 0.69 - -90100%1
7THU_EDO_B_309 31% 95% 0.227 0.8990.11 0.3 - -00100%1
7THU_EDO_C_310 31% 99% 0.146 0.8150.08 0.16 - -00100%1
7THU_EDO_J_1103 31% 99% 0.116 0.7810.09 0.15 - -00100%1
7THU_EDO_N_609 28% 96% 0.281 0.9370.18 0.16 - -00100%1
7THU_EDO_C_314 26% 97% 0.254 0.8970.11 0.19 - -00100%1
7THU_EDO_B_306 26% 92% 0.191 0.8310.22 0.3 - -00100%1
7THU_EDO_G_1303 26% 95% 0.195 0.8350.07 0.31 - -20100%1
7THU_EDO_E_204 25% 96% 0.281 0.9180.11 0.24 - -00100%1
7THU_EDO_S_2205 24% 100% 0.245 0.8780.11 0.08 - -00100%1
7THU_EDO_W_304 23% 94% 0.212 0.8360.18 0.24 - -00100%1
7THU_EDO_A_614 23% 80% 0.24 0.8620.47 0.38 - -30100%1
7THU_EDO_A_610 23% 94% 0.262 0.8840.26 0.18 - -00100%1
7THU_EDO_A_611 22% 99% 0.208 0.8260.14 0.1 - -00100%1
7THU_EDO_A_619 22% 76% 0.234 0.8520.36 0.57 - -00100%1
7THU_EDO_O_303 21% 68% 0.198 0.8090.47 0.76 - -00100%1
7THU_EDO_V_102 20% 93% 0.171 0.7750.13 0.34 - -00100%1
7THU_EDO_C_309 20% 99% 0.163 0.7640.03 0.21 - -00100%1
7THU_EDO_T_103 18% 91% 0.311 0.9010.37 0.19 - -00100%1
7THU_EDO_I_102 18% 96% 0.149 0.7320.1 0.24 - -00100%1
7THU_EDO_S_2207 17% 92% 0.187 0.760.12 0.39 - -00100%1
7THU_EDO_N_613 16% 64% 0.221 0.7920.57 0.81 - -10100%1
7THU_EDO_D_204 16% 99% 0.336 0.9090.09 0.15 - -00100%1
7THU_EDO_B_304 16% 93% 0.215 0.780.22 0.28 - -00100%1
7THU_EDO_G_1304 15% 91% 0.188 0.7470.17 0.39 - -00100%1
7THU_EDO_N_617 14% 98% 0.269 0.8240.04 0.24 - -00100%1
7THU_EDO_N_620 12% 78% 0.307 0.8380.34 0.55 - -00100%1
7THU_EDO_S_2206 11% 97% 0.345 0.8670.19 0.12 - -10100%1
7THU_EDO_N_612 11% 94% 0.334 0.8550.19 0.25 - -00100%1
7THU_EDO_K_102 11% 95% 0.173 0.6840.12 0.29 - -00100%1
7THU_EDO_J_1105 10% 88% 0.36 0.8720.23 0.43 - -00100%1
7THU_EDO_F_702 9% 97% 0.319 0.8170.17 0.13 - -10100%1
7THU_EDO_S_2201 9% 74% 0.326 0.8120.41 0.6 - -30100%1
7THU_EDO_W_303 8% 78% 0.215 0.6890.4 0.49 - -00100%1
7THU_EDO_G_1306 7% 96% 0.15 0.6070.12 0.25 - -00100%1
7THU_EDO_M_102 7% 98% 0.407 0.8670.13 0.13 - -00100%1
7THU_EDO_R_202 6% 94% 0.408 0.8510.14 0.28 - -00100%1
7THU_EDO_D_206 4% 92% 0.273 0.6440.19 0.33 - -00100%1
7THU_EDO_K_101 4% 97% 0.227 0.5830.09 0.22 - -00100%1
7THU_EDO_V_103 3% 92% 0.211 0.547 0.16 0.36 - -10100%1
7THU_EDO_P_310 3% 89% 0.38 0.6990.32 0.31 - -00100%1
7THU_EDO_L_102 1% 88% 0.305 0.512 0.25 0.42 - -00100%1
7THU_EDO_Z_103 1% 91% 0.238 0.432 0.24 0.34 - -00100%1
7THU_EDO_P_309 0% 93% 0.377 0.051 0.17 0.32 - -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