7CP5


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
7CP5_EDO_S_103 97% 88% 0.071 0.9850.63 0.06 - -00100%1
7CP5_EDO_G_103 93% 70% 0.076 0.9710.62 0.55 - -00100%1
7CP5_EDO_F_102 92% 61% 0.097 0.9870.98 0.54 - -00100%1
7CP5_EDO_E_202 91% 85% 0.087 0.9720.43 0.32 - -00100%1
7CP5_EDO_A_611 90% 65% 0.105 0.9890.81 0.53 - -00100%1
7CP5_EDO_B_304 90% 76% 0.098 0.9810.63 0.34 - -00100%1
7CP5_EDO_O_304 90% 76% 0.083 0.9650.66 0.3 - -00100%1
7CP5_EDO_E_201 88% 77% 0.094 0.9710.54 0.38 - -00100%1
7CP5_EDO_A_616 84% 78% 0.111 0.9720.47 0.42 - -00100%1
7CP5_EDO_D_206 84% 88% 0.113 0.9740.56 0.13 - -00100%1
7CP5_EDO_N_617 83% 79% 0.104 0.9640.51 0.36 - -00100%1
7CP5_EDO_N_613 82% 59% 0.112 0.9670.81 0.75 - -00100%1
7CP5_EDO_S_105 82% 66% 0.103 0.9570.78 0.53 - -00100%1
7CP5_EDO_P_314 81% 66% 0.105 0.9570.44 0.87 - -00100%1
7CP5_EDO_N_614 79% 71% 0.103 0.950.79 0.35 - -00100%1
7CP5_EDO_B_305 79% 69% 0.134 0.9820.41 0.78 - -00100%1
7CP5_EDO_F_104 75% 67% 0.151 0.9840.58 0.68 - -00100%1
7CP5_EDO_E_203 74% 80% 0.123 0.9540.57 0.27 - -00100%1
7CP5_EDO_D_205 74% 78% 0.127 0.9580.67 0.24 - -00100%1
7CP5_EDO_S_102 73% 60% 0.147 0.9760.8 0.74 - -00100%1
7CP5_EDO_F_105 73% 76% 0.143 0.970.58 0.36 - -00100%1
7CP5_EDO_T_102 71% 63% 0.128 0.950.65 0.77 - -00100%1
7CP5_EDO_N_618 70% 79% 0.152 0.9710.5 0.36 - -00100%1
7CP5_EDO_C_315 70% 62% 0.15 0.9680.39 1.06 - -00100%1
7CP5_EDO_C_316 68% 84% 0.114 0.9250.4 0.36 - -00100%1
7CP5_EDO_N_621 67% 89% 0.097 0.9040.56 0.09 - -00100%1
7CP5_EDO_A_610 67% 84% 0.126 0.9330.49 0.28 - -00100%1
7CP5_EDO_N_615 67% 87% 0.16 0.9680.58 0.12 - -00100%1
7CP5_EDO_A_613 65% 84% 0.154 0.9550.51 0.26 - -10100%1
7CP5_EDO_A_612 63% 62% 0.152 0.9470.79 0.67 - -00100%1
7CP5_EDO_P_315 62% 59% 0.151 0.9430.4 1.15 - -00100%1
7CP5_EDO_A_618 59% 61% 0.164 0.9450.7 0.78 - -00100%1
7CP5_EDO_B_306 57% 71% 0.123 0.8990.82 0.33 - -00100%1
7CP5_EDO_B_307 57% 79% 0.159 0.9330.64 0.25 - -00100%1
7CP5_EDO_P_313 55% 77% 0.181 0.9490.8 0.15 - -00100%1
7CP5_EDO_S_106 52% 68% 0.167 0.9260.43 0.79 - -10100%1
7CP5_EDO_Y_102 50% 88% 0.2 0.9520.46 0.21 - -00100%1
7CP5_EDO_F_106 50% 62% 0.189 0.940.68 0.76 - -00100%1
7CP5_EDO_N_620 49% 72% 0.173 0.920.76 0.34 - -00100%1
7CP5_EDO_C_314 48% 68% 0.136 0.8780.84 0.4 - -00100%1
7CP5_EDO_C_318 46% 73% 0.199 0.9370.56 0.49 - -00100%1
7CP5_EDO_O_306 46% 91% 0.153 0.8880.49 0.09 - -10100%1
7CP5_EDO_W_102 45% 91% 0.186 0.9190.34 0.24 - -10100%1
7CP5_EDO_S_104 43% 86% 0.196 0.9220.5 0.23 - -00100%1
7CP5_EDO_N_616 43% 75% 0.213 0.9380.47 0.5 - -00100%1
7CP5_EDO_J_103 43% 77% 0.204 0.9280.34 0.58 - -10100%1
7CP5_EDO_Q_202 39% 71% 0.145 0.8520.46 0.64 - -00100%1
7CP5_EDO_A_609 38% 70% 0.139 0.8410.57 0.6 - -00100%1
7CP5_EDO_P_317 38% 86% 0.111 0.810.55 0.17 - -00100%1
7CP5_EDO_C_313 38% 66% 0.116 0.8150.7 0.61 - -00100%1
7CP5_EDO_G_104 38% 84% 0.142 0.8410.62 0.16 - -00100%1
7CP5_EDO_T_104 35% 71% 0.216 0.9060.72 0.41 - -00100%1
7CP5_EDO_A_617 34% 85% 0.251 0.9360.62 0.13 - -00100%1
7CP5_EDO_T_103 31% 81% 0.232 0.9030.49 0.34 - -00100%1
7CP5_EDO_P_310 31% 85% 0.1 0.7650.61 0.15 - -10100%1
7CP5_EDO_A_614 28% 76% 0.212 0.8660.48 0.48 - -00100%1
7CP5_EDO_C_319 28% 85% 0.292 0.9480.6 0.16 - -00100%1
7CP5_EDO_P_311 28% 84% 0.144 0.7950.46 0.31 - -00100%1
7CP5_EDO_D_204 28% 87% 0.22 0.8710.57 0.13 - -00100%1
7CP5_EDO_C_317 27% 83% 0.129 0.7710.62 0.18 - -00100%1
7CP5_EDO_L_104 25% 66% 0.197 0.8330.53 0.76 - -00100%1
7CP5_EDO_Y_103 23% 68% 0.308 0.9370.5 0.71 - -00100%1
7CP5_EDO_P_316 23% 74% 0.149 0.7690.58 0.42 - -00100%1
7CP5_EDO_J_102 21% 78% 0.297 0.9070.53 0.37 - -00100%1
7CP5_EDO_O_305 20% 88% 0.313 0.9190.56 0.13 - -20100%1
7CP5_EDO_F_103 18% 83% 0.163 0.7490.63 0.17 - -00100%1
7CP5_EDO_C_320 18% 69% 0.236 0.8240.68 0.53 - -10100%1
7CP5_EDO_P_312 14% 80% 0.146 0.6940.58 0.28 - -00100%1
7CP5_EDO_A_615 10% 74% 0.177 0.6780.76 0.25 - -10100%1
7CP5_EDO_C_312 7% 90% 0.187 0.6320.47 0.14 - -00100%1
7CP5_EDO_N_619 7% 78% 0.239 0.6820.74 0.18 - -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