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
6AOC_EDO_C_620 75% 87% 0.122 0.9540.43 0.27 - -10100%1
6AOC_EDO_D_510 74% 81% 0.106 0.9360.4 0.43 - -00100%1
6AOC_EDO_B_507 72% 82% 0.132 0.9570.27 0.52 - -00100%1
6AOC_EDO_C_617 66% 82% 0.138 0.9420.37 0.42 - -00100%1
6AOC_EDO_A_606 65% 91% 0.151 0.9550.45 0.12 - -10100%1
6AOC_EDO_B_508 64% 73% 0.168 0.9670.34 0.69 - -00100%1
6AOC_EDO_B_521 62% 89% 0.131 0.9220.4 0.23 - -00100%1
6AOC_EDO_D_507 60% 86% 0.094 0.8790.45 0.28 - -00100%1
6AOC_EDO_B_511 60% 77% 0.139 0.9230.45 0.47 - -00100%1
6AOC_EDO_D_503 59% 90% 0.129 0.9090.53 0.09 - -00100%1
6AOC_EDO_B_506 56% 88% 0.169 0.9410.5 0.19 - -00100%1
6AOC_EDO_C_624 55% 87% 0.178 0.9480.4 0.3 - -00100%1
6AOC_EDO_C_609 54% 83% 0.149 0.9150.4 0.38 - -00100%1
6AOC_EDO_A_614 54% 87% 0.142 0.9060.46 0.25 - -00100%1
6AOC_EDO_C_606 54% 87% 0.178 0.9430.39 0.3 - -00100%1
6AOC_EDO_B_520 51% 89% 0.148 0.90.41 0.23 - -00100%1
6AOC_EDO_D_512 49% 86% 0.182 0.930.38 0.34 - -10100%1
6AOC_EDO_A_616 47% 85% 0.174 0.9140.36 0.38 - -00100%1
6AOC_EDO_A_613 44% 88% 0.121 0.8470.41 0.26 - -00100%1
6AOC_EDO_C_610 44% 73% 0.164 0.8910.44 0.6 - -00100%1
6AOC_EDO_B_515 43% 82% 0.142 0.8630.44 0.36 - -00100%1
6AOC_EDO_A_610 42% 83% 0.196 0.9180.32 0.45 - -00100%1
6AOC_EDO_A_611 42% 85% 0.153 0.8730.42 0.32 - -00100%1
6AOC_EDO_A_605 38% 87% 0.149 0.8480.45 0.26 - -00100%1
6AOC_EDO_C_623 37% 86% 0.167 0.8630.54 0.2 - -00100%1
6AOC_EDO_B_514 36% 81% 0.148 0.8390.58 0.26 - -00100%1
6AOC_EDO_B_510 35% 88% 0.157 0.8460.58 0.1 - -00100%1
6AOC_EDO_B_516 32% 89% 0.179 0.8520.42 0.23 - -00100%1
6AOC_EDO_D_504 31% 79% 0.182 0.8520.41 0.45 - -00100%1
6AOC_EDO_A_607 31% 85% 0.126 0.7930.44 0.31 - -00100%1
6AOC_EDO_D_509 29% 82% 0.208 0.8660.38 0.42 - -00100%1
6AOC_EDO_B_517 28% 81% 0.222 0.8770.43 0.39 - -00100%1
6AOC_EDO_D_514 28% 85% 0.158 0.810.58 0.18 - -00100%1
6AOC_EDO_B_505 27% 82% 0.226 0.8750.49 0.32 - -00100%1
6AOC_EDO_C_608 27% 89% 0.211 0.8580.51 0.14 - -00100%1
6AOC_EDO_A_618 26% 86% 0.238 0.8820.33 0.39 - -40100%1
6AOC_EDO_B_513 26% 85% 0.272 0.9140.37 0.37 - -20100%1
6AOC_EDO_C_621 25% 84% 0.172 0.8050.51 0.26 - -00100%1
6AOC_EDO_A_617 24% 84% 0.162 0.790.43 0.34 - -00100%1
6AOC_EDO_B_509 23% 84% 0.184 0.8060.46 0.3 - -10100%1
6AOC_EDO_D_511 22% 87% 0.208 0.8250.46 0.25 - -00100%1
6AOC_EDO_B_512 22% 84% 0.19 0.8060.39 0.37 - -00100%1
6AOC_EDO_C_622 22% 83% 0.136 0.7490.43 0.35 - -00100%1
6AOC_EDO_A_615 21% 84% 0.331 0.9420.42 0.35 - -00100%1
6AOC_EDO_D_508 17% 87% 0.187 0.7680.48 0.22 - -00100%1
6AOC_EDO_A_612 17% 84% 0.138 0.7110.5 0.26 - -00100%1
6AOC_EDO_C_611 17% 90% 0.221 0.7950.46 0.17 - -00100%1
6AOC_EDO_B_519 16% 90% 0.248 0.8150.54 0.07 - -00100%1
6AOC_EDO_C_618 16% 86% 0.305 0.8730.48 0.25 - -00100%1
6AOC_EDO_C_615 16% 91% 0.226 0.7910.54 0.05 - -00100%1
6AOC_EDO_D_506 14% 84% 0.196 0.7430.44 0.33 - -00100%1
6AOC_EDO_D_505 13% 83% 0.185 0.7250.45 0.33 - -00100%1
6AOC_EDO_D_513 12% 88% 0.192 0.7220.41 0.25 - -00100%1
6AOC_EDO_B_522 11% 87% 0.308 0.8270.45 0.25 - -00100%1
6AOC_EDO_C_616 10% 86% 0.302 0.8020.45 0.27 - -00100%1
6AOC_EDO_C_607 9% 87% 0.222 0.7090.48 0.21 - -00100%1
6AOC_EDO_B_523 9% 88% 0.279 0.7650.51 0.18 - -10100%1
6AOC_EDO_C_605 8% 69% 0.286 0.7560.27 0.91 - -00100%1
6AOC_EDO_C_626 7% 84% 0.138 0.590.44 0.32 - -00100%1
6AOC_EDO_B_518 6% 84% 0.289 0.7320.46 0.31 - -00100%1
6AOC_EDO_C_604 6% 85% 0.316 0.7460.44 0.31 - -00100%1
6AOC_EDO_C_612 3% 87% 0.226 0.5810.46 0.23 - -00100%1
6AOC_EDO_C_614 1% 86% 0.298 0.463 0.47 0.26 - -00100%1
6AOC_EDO_C_613 1% 92% 0.196 0.324 0.46 0.09 - -20100%1
6AOC_EDO_C_619 1% 83% 0.383 0.501 0.48 0.31 - -00100%1
6AOC_EDO_A_609 1% 82% 0.389 0.477 0.43 0.38 - -00100%1
6AOC_EDO_A_608 0% 84% 0.313 0.015 0.49 0.28 - -10100%1
6AOC_EDO_C_625 0% 84% 1.729 0.333 0.47 0.29 - -10100%1
6C0K_EDO_A_614 71% 70% 0.156 0.9780.4 0.76 - -00100%1
6DUF_EDO_A_613 70% 71% 0.137 0.9550.46 0.65 - -10100%1
6C0O_EDO_A_614 65% 72% 0.168 0.9710.42 0.66 - -00100%1
6C0L_EDO_A_623 62% 82% 0.148 0.9390.43 0.37 - -00100%1
6C0P_EDO_A_612 62% 81% 0.095 0.8840.45 0.38 - -10100%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