7TIH


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
7TIH_EDO_Q_203 91% 94% 0.07 0.9580.2 0.22 - -00100%1
7TIH_EDO_B_307 87% 98% 0.078 0.9510.07 0.18 - -00100%1
7TIH_EDO_N_609 80% 86% 0.123 0.9710.18 0.53 - -00100%1
7TIH_EDO_E_201 72% 95% 0.141 0.9660.13 0.26 - -00100%1
7TIH_EDO_N_607 68% 95% 0.154 0.9660.14 0.26 - -00100%1
7TIH_EDO_E_202 68% 97% 0.16 0.9710.15 0.18 - -00100%1
7TIH_EDO_P_313 67% 100% 0.128 0.9350.13 0.04 - -00100%1
7TIH_EDO_C_307 65% 97% 0.142 0.9450.15 0.17 - -00100%1
7TIH_EDO_F_701 65% 88% 0.173 0.9750.11 0.55 - -00100%1
7TIH_EDO_A_611 63% 83% 0.138 0.9340.33 0.45 - -00100%1
7TIH_EDO_B_304 61% 100% 0.174 0.9640.05 0.07 - -00100%1
7TIH_EDO_A_609 60% 92% 0.177 0.9650.24 0.27 - -00100%1
7TIH_EDO_F_704 60% 90% 0.171 0.9580.25 0.35 - -00100%1
7TIH_EDO_J_105 60% 97% 0.138 0.9220.05 0.25 - -00100%1
7TIH_EDO_S_102 59% 83% 0.146 0.9290.35 0.43 - -00100%1
7TIH_EDO_C_308 57% 94% 0.125 0.9010.14 0.28 - -00100%1
7TIH_EDO_E_203 57% 93% 0.164 0.9410.17 0.33 - -00100%1
7TIH_EDO_N_613 55% 94% 0.147 0.9160.15 0.27 - -00100%1
7TIH_EDO_A_615 55% 96% 0.186 0.9550.11 0.23 - -00100%1
7TIH_EDO_Q_202 54% 97% 0.162 0.9280.09 0.23 - -00100%1
7TIH_EDO_B_306 51% 99% 0.181 0.9340.11 0.11 - -00100%1
7TIH_EDO_W_303 50% 98% 0.111 0.860.11 0.14 - -00100%1
7TIH_EDO_D_203 49% 100% 0.175 0.9240.08 0.06 - -00100%1
7TIH_EDO_D_204 49% 98% 0.169 0.9150.13 0.13 - -00100%1
7TIH_EDO_I_102 49% 99% 0.103 0.8460.08 0.16 - -00100%1
7TIH_EDO_N_611 47% 96% 0.202 0.9420.16 0.18 - -10100%1
7TIH_EDO_A_613 47% 98% 0.184 0.9220.09 0.16 - -00100%1
7TIH_EDO_R_202 47% 94% 0.189 0.9270.14 0.28 - -00100%1
7TIH_EDO_A_612 46% 85% 0.143 0.8790.36 0.39 - -00100%1
7TIH_EDO_N_615 45% 96% 0.202 0.9330.14 0.2 - -00100%1
7TIH_EDO_A_614 44% 98% 0.22 0.9480.08 0.18 - -00100%1
7TIH_EDO_B_310 43% 92% 0.14 0.8630.2 0.33 - -00100%1
7TIH_EDO_M_701 40% 98% 0.203 0.9150.09 0.19 - -00100%1
7TIH_EDO_B_305 40% 82% 0.156 0.8660.32 0.48 - -10100%1
7TIH_EDO_E_205 39% 100% 0.237 0.9450.06 0.11 - -00100%1
7TIH_EDO_R_203 38% 98% 0.176 0.8790.12 0.16 - -00100%1
7TIH_EDO_I_103 37% 98% 0.212 0.9090.13 0.14 - -00100%1
7TIH_EDO_G_104 36% 88% 0.262 0.9580.27 0.4 - -00100%1
7TIH_EDO_Q_205 35% 93% 0.215 0.9050.16 0.33 - -10100%1
7TIH_EDO_A_616 34% 93% 0.244 0.9310.09 0.37 - -00100%1
7TIH_EDO_G_106 32% 94% 0.183 0.8560.12 0.3 - -00100%1
7TIH_EDO_P_311 32% 91% 0.215 0.8890.15 0.43 - -00100%1
7TIH_EDO_C_306 31% 59% 0.166 0.8360.73 0.85 - -10100%1
7TIH_EDO_F_703 31% 99% 0.224 0.8940.13 0.11 - -00100%1
7TIH_EDO_P_312 30% 94% 0.279 0.9440.11 0.32 - -00100%1
7TIH_EDO_D_207 29% 92% 0.253 0.9130.24 0.29 - -00100%1
7TIH_EDO_S_103 29% 100% 0.229 0.8880.09 0.06 - -00100%1
7TIH_EDO_K_102 29% 94% 0.199 0.8550.18 0.27 - -00100%1
7TIH_EDO_A_610 28% 94% 0.256 0.910.19 0.25 - -00100%1
7TIH_EDO_W_301 28% 98% 0.267 0.920.09 0.18 - -00100%1
7TIH_EDO_G_107 27% 99% 0.214 0.8630.05 0.15 - -00100%1
7TIH_EDO_S_104 27% 100% 0.196 0.8420.07 0.07 - -00100%1
7TIH_EDO_J_104 26% 94% 0.209 0.8490.17 0.28 - -00100%1
7TIH_EDO_C_309 25% 98% 0.221 0.8550.1 0.15 - -00100%1
7TIH_EDO_K_101 24% 98% 0.198 0.8260.1 0.16 - -00100%1
7TIH_EDO_T_104 23% 95% 0.324 0.9470.16 0.23 - -00100%1
7TIH_EDO_J_102 22% 98% 0.202 0.8160.12 0.13 - -00100%1
7TIH_EDO_O_302 22% 88% 0.198 0.8110.23 0.42 - -00100%1
7TIH_EDO_V_102 20% 96% 0.247 0.8470.13 0.23 - -00100%1
7TIH_EDO_S_105 19% 91% 0.21 0.8070.19 0.36 - -10100%1
7TIH_EDO_D_202 19% 83% 0.218 0.8110.27 0.51 - -00100%1
7TIH_EDO_N_616 19% 95% 0.249 0.8410.04 0.35 - -00100%1
7TIH_EDO_J_103 18% 57% 0.209 0.7940.79 0.88 - -00100%1
7TIH_EDO_B_308 17% 91% 0.284 0.8650.25 0.33 - -00100%1
7TIH_EDO_O_303 17% 86% 0.249 0.8260.22 0.5 - -00100%1
7TIH_EDO_P_310 16% 96% 0.238 0.8080.12 0.23 - -00100%1
7TIH_EDO_D_206 15% 87% 0.26 0.8240.24 0.44 - -00100%1
7TIH_EDO_N_610 14% 92% 0.279 0.8330.25 0.26 - -00100%1
7TIH_EDO_E_204 13% 92% 0.199 0.7350.25 0.29 - -00100%1
7TIH_EDO_L_102 12% 89% 0.255 0.790.24 0.39 - -00100%1
7TIH_EDO_P_314 10% 97% 0.264 0.7680.09 0.22 - -00100%1
7TIH_EDO_V_103 8% 92% 0.233 0.6970.19 0.34 - -00100%1
7TIH_EDO_A_608 8% 57% 0.283 0.7480.71 0.93 - -30100%1
7TIH_EDO_B_309 7% 78% 0.232 0.6950.38 0.5 - -00100%1
7TIH_EDO_B_311 7% 99% 0.282 0.7350.11 0.12 - -00100%1
7TIH_EDO_Z_1601 7% 92% 0.168 0.6140.19 0.34 - -00100%1
7TIH_EDO_Q_204 4% 88% 0.355 0.7420.26 0.4 - -10100%1
7TIH_EDO_N_612 4% 79% 0.378 0.7410.27 0.58 - -20100%1
7TIH_EDO_N_614 2% 62% 0.411 0.6960.61 0.83 - -10100%1
7TIH_EDO_G_105 2% 93% 0.308 0.57 0.2 0.3 - -00100%1
7TIH_EDO_N_608 1% 64% 0.487 0.7090.73 0.67 - -00100%1
7TIH_EDO_D_205 1% 97% 0.463 0.6720.11 0.22 - -00100%1
7TIH_EDO_G_109 1% 95% 0.342 0.458 0.1 0.31 - -00100%1
7TIH_EDO_A_617 0% 93% 0.635 0.167 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
4ITB_EDO_A_503 100% 88% 0.028 0.990.38 0.29 - -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