EDO: 1,2-ETHANEDIOL



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
6HWO_EDO_D_504 76% 74% 0.118 0.9550.66 0.37 - -00100%1
6HWO_EDO_D_501 68% 63% 0.143 0.9550.48 0.91 - -00100%1
6HWO_EDO_A_502 67% 57% 0.138 0.9450.27 1.36 - -00100%1
6HWO_EDO_B_503 65% 83% 0.127 0.930.34 0.44 - -00100%1
6HWO_EDO_A_512 64% 86% 0.158 0.9580.32 0.4 - -00100%1
6HWO_EDO_A_511 64% 63% 0.122 0.920.8 0.63 - -00100%1
6HWO_EDO_A_501 63% 96% 0.133 0.9290.23 0.14 - -00100%1
6HWO_EDO_D_517 61% 97% 0.142 0.930.29 0.05 - -10100%1
6HWO_EDO_D_505 58% 73% 0.171 0.950.2 0.82 - -00100%1
6HWO_EDO_A_507 58% 77% 0.18 0.9590.16 0.74 - -00100%1
6HWO_EDO_D_506 57% 72% 0.166 0.9410.8 0.31 - -00100%1
6HWO_EDO_D_519 56% 62% 0.145 0.9160.37 1.05 - -00100%1
6HWO_EDO_D_520 56% 72% 0.159 0.930.18 0.87 - -40100%1
6HWO_EDO_D_522 55% 79% 0.179 0.9490.39 0.47 - -00100%1
6HWO_EDO_D_518 49% 70% 0.168 0.9140.37 0.76 - -00100%1
6HWO_EDO_A_516 43% 91% 0.163 0.8860.3 0.28 - -00100%1
6HWO_EDO_A_517 43% 84% 0.135 0.8570.33 0.42 - -00100%1
6HWO_EDO_B_509 43% 78% 0.206 0.930.42 0.47 - -00100%1
6HWO_EDO_A_519 40% 75% 0.125 0.8360.59 0.38 - -00100%1
6HWO_EDO_C_502 40% 94% 0.179 0.890.37 0.06 - -00100%1
6HWO_EDO_A_506 38% 68% 0.199 0.9010.56 0.68 - -00100%1
6HWO_EDO_D_514 36% 79% 0.156 0.8480.61 0.26 - -00100%1
6HWO_EDO_A_518 35% 69% 0.195 0.8840.34 0.83 - -00100%1
6HWO_EDO_D_509 34% 86% 0.151 0.8320.34 0.38 - -00100%1
6HWO_EDO_C_514 32% 45% 0.181 0.8560.45 1.63 - -00100%1
6HWO_EDO_D_511 31% 62% 0.226 0.8950.1 1.32 - -00100%1
6HWO_EDO_A_515 31% 73% 0.232 0.90.35 0.68 - -00100%1
6HWO_EDO_B_515 30% 72% 0.238 0.9030.5 0.59 - -00100%1
6HWO_EDO_C_506 29% 94% 0.271 0.9330.41 0.06 - -10100%1
6HWO_EDO_B_514 27% 66% 0.22 0.8680.15 1.12 - -00100%1
6HWO_EDO_C_505 27% 76% 0.194 0.840.38 0.57 - -00100%1
6HWO_EDO_A_504 26% 56% 0.173 0.8110.97 0.74 - -00100%1
6HWO_EDO_D_508 24% 68% 0.18 0.8060.67 0.57 - -00100%1
6HWO_EDO_D_521 21% 39% 0.187 0.7971.44 0.96 - -00100%1
6HWO_EDO_C_504 21% 79% 0.147 0.7550.65 0.22 - -00100%1
6HWO_EDO_D_503 21% 49% 0.223 0.8320.9 1.06 - -00100%1
6HWO_EDO_A_503 17% 70% 0.243 0.8250.65 0.52 - -10100%1
6HWO_EDO_B_506 16% 75% 0.303 0.8770.31 0.66 - -10100%1
6HWO_EDO_B_504 16% 73% 0.257 0.8290.61 0.44 - -00100%1
6HWO_EDO_C_501 14% 66% 0.337 0.8920.72 0.61 - -00100%1
6HWO_EDO_D_510 14% 84% 0.247 0.7980.33 0.42 - -00100%1
6HWO_EDO_A_508 13% 79% 0.165 0.7060.66 0.22 - -00100%1
6HWO_EDO_C_513 11% 62% 0.297 0.8120.51 0.93 - -10100%1
6HWO_EDO_B_505 8% 73% 0.384 0.8680.59 0.47 - -10100%1
6HWO_EDO_B_507 8% 81% 0.267 0.7460.69 0.14 - -00100%1
6HWO_EDO_B_501 7% 92% 0.445 0.9070.36 0.18 - -10100%1
6HWO_EDO_C_507 5% 89% 0.291 0.7040.33 0.31 - -00100%1
6HWO_EDO_A_505 5% 58% 0.352 0.7660.95 0.65 - -10100%1
6HWO_EDO_C_508 5% 42% 0.262 0.6621.26 1 - -10100%1
6HWO_EDO_D_513 3% 63% 0.2 0.552 0.73 0.69 - -00100%1
6HWO_EDO_B_502 3% 83% 0.497 0.8410.45 0.34 - -00100%1
6FET_EDO_D_512 95% 92% 0.074 0.980.33 0.22 - -00100%1
6FE7_EDO_D_512 93% 87% 0.074 0.970.47 0.23 - -00100%1
7AAG_EDO_B_510 88% 91% 0.088 0.9650.26 0.31 - -00100%1
1Y2D_EDO_B_721 88% 83% 0.098 0.9730.3 0.48 - -00100%1
3SL3_EDO_A_17 87% 78% 0.07 0.9410.49 0.4 - -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
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