8BDB


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 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
8BDB_EDO_H_202 100% 91% 0.046 0.9880.48 0.1 - -00100%1
8BDB_EDO_A_503 99% 91% 0.049 0.9860.5 0.08 - -00100%1
8BDB_EDO_D_203 99% 88% 0.051 0.9850.52 0.16 - -00100%1
8BDB_EDO_D_201 99% 87% 0.056 0.9870.45 0.26 - -00100%1
8BDB_EDO_F_201 99% 87% 0.052 0.9810.49 0.21 - -00100%1
8BDB_EDO_N_201 99% 88% 0.058 0.9860.46 0.21 - -00100%1
8BDB_EDO_H_203 99% 90% 0.052 0.9790.53 0.08 - -00100%1
8BDB_EDO_H_201 99% 87% 0.056 0.9830.46 0.23 - -00100%1
8BDB_EDO_M_503 98% 86% 0.052 0.9760.48 0.24 - -00100%1
8BDB_EDO_J_202 98% 90% 0.056 0.9780.49 0.13 - -00100%1
8BDB_EDO_P_202 98% 87% 0.062 0.9830.44 0.25 - -00100%1
8BDB_EDO_P_203 97% 87% 0.062 0.9770.44 0.26 - -00100%1
8BDB_EDO_P_201 97% 90% 0.063 0.9780.42 0.21 - -00100%1
8BDB_EDO_L_202 97% 80% 0.067 0.980.41 0.44 - -00100%1
8BDB_EDO_N_204 95% 85% 0.061 0.9660.47 0.27 - -00100%1
8BDB_EDO_L_203 95% 87% 0.067 0.9710.34 0.35 - -00100%1
8BDB_EDO_D_204 95% 89% 0.065 0.9670.47 0.19 - -00100%1
8BDB_EDO_O_503 94% 86% 0.064 0.9640.49 0.23 - -00100%1
8BDB_EDO_J_203 94% 88% 0.068 0.9660.48 0.2 - -00100%1
8BDB_EDO_L_201 94% 89% 0.071 0.9690.51 0.14 - -00100%1
8BDB_EDO_F_204 94% 85% 0.072 0.970.33 0.41 - -00100%1
8BDB_EDO_I_503 93% 84% 0.072 0.9650.51 0.25 - -00100%1
8BDB_EDO_F_202 92% 86% 0.076 0.9680.54 0.19 - -00100%1
8BDB_EDO_B_203 92% 82% 0.08 0.9710.49 0.32 - -00100%1
8BDB_EDO_E_504 92% 87% 0.073 0.9630.52 0.18 - -00100%1
8BDB_EDO_N_203 92% 84% 0.08 0.9690.5 0.27 - -00100%1
8BDB_EDO_M_504 91% 77% 0.081 0.9690.41 0.51 - -00100%1
8BDB_EDO_J_204 91% 89% 0.071 0.9570.5 0.15 - -00100%1
8BDB_EDO_L_204 91% 91% 0.081 0.9660.53 0.05 - -00100%1
8BDB_EDO_B_204 90% 90% 0.082 0.9660.53 0.09 - -00100%1
8BDB_EDO_F_203 90% 85% 0.089 0.9730.49 0.26 - -00100%1
8BDB_EDO_G_503 88% 90% 0.073 0.9480.45 0.15 - -00100%1
8BDB_EDO_I_505 88% 85% 0.081 0.9560.43 0.31 - -00100%1
8BDB_EDO_C_504 88% 81% 0.084 0.9580.45 0.37 - -00100%1
8BDB_EDO_O_504 88% 79% 0.091 0.9650.39 0.48 - -00100%1
8BDB_EDO_E_505 87% 78% 0.081 0.9530.44 0.46 - -00100%1
8BDB_EDO_N_202 87% 90% 0.095 0.9670.38 0.23 - -00100%1
8BDB_EDO_G_510 87% 85% 0.095 0.9660.41 0.33 - -00100%1
8BDB_EDO_O_508 87% 83% 0.079 0.9490.42 0.36 - -00100%1
8BDB_EDO_C_508 85% 83% 0.084 0.950.44 0.34 - -00100%1
8BDB_EDO_H_207 85% 82% 0.085 0.950.45 0.36 - -00100%1
8BDB_EDO_C_503 84% 89% 0.085 0.9470.44 0.21 - -00100%1
8BDB_EDO_B_201 84% 88% 0.088 0.950.53 0.16 - -00100%1
8BDB_EDO_D_202 84% 88% 0.084 0.9450.43 0.25 - -00100%1
8BDB_EDO_O_505 83% 84% 0.086 0.9450.48 0.29 - -00100%1
8BDB_EDO_C_512 83% 85% 0.095 0.9530.41 0.33 - -00100%1
8BDB_EDO_E_503 82% 83% 0.086 0.9420.6 0.19 - -00100%1
8BDB_EDO_G_504 82% 80% 0.115 0.970.42 0.43 - -00100%1
8BDB_EDO_H_206 81% 75% 0.091 0.9420.34 0.64 - -00100%1
8BDB_EDO_A_504 81% 81% 0.109 0.960.45 0.38 - -00100%1
8BDB_EDO_J_206 80% 76% 0.105 0.9530.37 0.56 - -00100%1
8BDB_EDO_J_201 79% 85% 0.089 0.9350.47 0.28 - -00100%1
8BDB_EDO_E_506 79% 80% 0.1 0.9460.41 0.44 - -00100%1
8BDB_EDO_A_505 77% 81% 0.105 0.9450.38 0.43 - -00100%1
8BDB_EDO_I_504 77% 88% 0.114 0.9520.44 0.23 - -00100%1
8BDB_EDO_E_512 75% 86% 0.107 0.9410.47 0.26 - -00100%1
8BDB_EDO_B_202 74% 88% 0.112 0.9410.39 0.27 - -00100%1
8BDB_EDO_M_508 73% 82% 0.107 0.9350.43 0.38 - -00100%1
8BDB_EDO_A_508 72% 83% 0.111 0.9360.52 0.27 - -00100%1
8BDB_EDO_K_504 72% 78% 0.128 0.9520.46 0.44 - -00100%0.8
8BDB_EDO_A_507 72% 83% 0.114 0.9360.38 0.4 - -00100%1
8BDB_EDO_P_204 72% 83% 0.115 0.9370.4 0.38 - -00100%1
8BDB_EDO_H_204 71% 87% 0.105 0.9260.45 0.24 - -00100%1
8BDB_EDO_O_506 70% 81% 0.114 0.9320.45 0.38 - -00100%1
8BDB_EDO_G_509 67% 87% 0.106 0.9150.55 0.15 - -00100%1
8BDB_EDO_B_206 67% 79% 0.132 0.9410.38 0.48 - -00100%1
8BDB_EDO_K_506 66% 78% 0.123 0.9280.45 0.44 - -00100%1
8BDB_EDO_K_503 66% 75% 0.136 0.940.42 0.55 - -00100%1
8BDB_EDO_M_505 64% 84% 0.121 0.920.51 0.26 - -00100%1
8BDB_EDO_E_509 62% 89% 0.118 0.9080.55 0.09 - -00100%1
8BDB_EDO_N_205 58% 77% 0.14 0.920.37 0.54 - -00100%1
8BDB_EDO_E_507 57% 82% 0.125 0.90.47 0.33 - -00100%1
8BDB_EDO_K_508 56% 83% 0.132 0.9040.41 0.38 - -00100%1
8BDB_EDO_C_509 54% 79% 0.129 0.8940.44 0.42 - -00100%1
8BDB_EDO_D_206 53% 74% 0.136 0.8960.4 0.6 - -00100%1
8BDB_EDO_M_509 52% 91% 0.145 0.9040.44 0.14 - -00100%1
8BDB_EDO_C_505 52% 82% 0.122 0.8790.45 0.36 - -00100%1
8BDB_EDO_G_505 52% 85% 0.163 0.920.41 0.34 - -00100%1
8BDB_EDO_L_205 50% 75% 0.142 0.8930.39 0.59 - -00100%1
8BDB_EDO_O_509 49% 81% 0.156 0.9020.42 0.41 - -00100%1
8BDB_EDO_N_206 49% 84% 0.125 0.8690.49 0.28 - -00100%1
8BDB_EDO_C_506 48% 92% 0.149 0.8930.48 0.05 - -00100%1
8BDB_EDO_K_505 48% 83% 0.159 0.9030.4 0.39 - -00100%1
8BDB_EDO_B_205 48% 82% 0.15 0.8920.39 0.41 - -00100%1
8BDB_EDO_I_511 47% 82% 0.156 0.8950.49 0.32 - -00100%0.8
8BDB_EDO_M_507 46% 85% 0.21 0.9480.42 0.32 - -00100%1
8BDB_EDO_E_508 46% 79% 0.148 0.8830.46 0.4 - -00100%1
8BDB_EDO_G_507 46% 89% 0.152 0.8870.47 0.18 - -00100%1
8BDB_EDO_M_506 46% 81% 0.132 0.8650.46 0.37 - -00100%1
8BDB_EDO_A_513 44% 89% 0.19 0.920.44 0.22 - -10100%0.9
8BDB_EDO_J_205 44% 83% 0.146 0.8740.41 0.38 - -00100%1
8BDB_EDO_P_206 44% 85% 0.149 0.8770.48 0.26 - -00100%1
8BDB_EDO_H_205 44% 90% 0.161 0.8880.4 0.21 - -00100%1
8BDB_EDO_D_205 43% 86% 0.162 0.8840.4 0.32 - -00100%1
8BDB_EDO_G_508 42% 88% 0.155 0.8750.58 0.11 - -00100%1
8BDB_EDO_A_510 42% 82% 0.145 0.8630.44 0.36 - -00100%1
8BDB_EDO_C_507 41% 81% 0.154 0.8680.44 0.38 - -00100%1
8BDB_EDO_O_507 41% 82% 0.124 0.8360.4 0.4 - -00100%1
8BDB_EDO_I_507 39% 92% 0.143 0.8460.45 0.08 - -00100%1
8BDB_EDO_A_509 37% 82% 0.158 0.8550.47 0.34 - -00100%1
8BDB_EDO_G_513 36% 83% 0.17 0.8640.43 0.35 - -00100%1
8BDB_EDO_G_512 36% 84% 0.165 0.8550.61 0.17 - -00100%1
8BDB_EDO_C_510 36% 82% 0.196 0.8870.45 0.36 - -00100%1
8BDB_EDO_I_508 34% 91% 0.186 0.8680.51 0.06 - -00100%1
8BDB_EDO_P_207 34% 78% 0.191 0.8720.37 0.52 - -00100%1
8BDB_EDO_P_205 33% 90% 0.176 0.8550.41 0.2 - -00100%1
8BDB_EDO_L_208 32% 80% 0.167 0.8380.42 0.43 - -00100%1
8BDB_EDO_L_206 31% 85% 0.182 0.850.56 0.19 - -00100%1
8BDB_EDO_G_506 31% 81% 0.221 0.8890.43 0.39 - -00100%1
8BDB_EDO_I_506 31% 86% 0.247 0.9150.51 0.21 - -00100%1
8BDB_EDO_G_511 30% 80% 0.131 0.7920.4 0.45 - -00100%1
8BDB_EDO_A_512 29% 79% 0.157 0.8140.35 0.51 - -00100%1
8BDB_EDO_C_511 29% 81% 0.161 0.8170.53 0.3 - -00100%1
8BDB_EDO_I_513 29% 92% 0.209 0.8660.51 0.04 - -00100%1
8BDB_EDO_I_509 28% 80% 0.175 0.8250.47 0.38 - -00100%1
8BDB_EDO_F_205 27% 75% 0.171 0.8170.4 0.57 - -00100%1
8BDB_EDO_K_507 26% 83% 0.183 0.8250.48 0.31 - -00100%1
8BDB_EDO_A_506 23% 82% 0.21 0.8350.43 0.38 - -00100%1
8BDB_EDO_L_207 23% 82% 0.212 0.8350.44 0.36 - -00100%1
8BDB_EDO_E_511 23% 82% 0.212 0.8330.44 0.36 - -00100%1
8BDB_EDO_N_207 23% 87% 0.226 0.8470.39 0.31 - -00100%0.8
8BDB_EDO_A_514 22% 89% 0.195 0.8130.29 0.35 - -00100%1
8BDB_EDO_K_509 22% 81% 0.203 0.8170.47 0.35 - -00100%1
8BDB_EDO_K_510 21% 91% 0.204 0.8130.49 0.08 - -00100%1
8BDB_EDO_O_510 20% 89% 0.179 0.7760.49 0.16 - -00100%1
8BDB_EDO_I_510 17% 79% 0.167 0.7420.48 0.4 - -00100%1
8BDB_EDO_I_512 16% 86% 0.233 0.8030.53 0.2 - -00100%1
8BDB_EDO_E_510 16% 81% 0.213 0.7810.4 0.42 - -00100%1
8BDB_EDO_A_511 13% 84% 0.239 0.7740.44 0.33 - -00100%1
8BDB_EDO_P_208 10% 83% 0.279 0.790.36 0.42 - -00100%0.8
8BDB_EDO_O_511 5% 85% 0.32 0.7280.35 0.4 - -00100%0.8
8BDB_EDO_A_515 3% 80% 0.298 0.6420.46 0.38 - -00100%1
8BDB_EDO_C_513 3% 73% 0.337 0.650.47 0.57 - -00100%0.8
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