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
7T0D_EDO_B_629 85% 79% 0.109 0.9750.54 0.33 - -00100%1
7T0D_EDO_A_401 85% 88% 0.092 0.9570.48 0.2 - -00100%1
7T0D_EDO_A_412 77% 87% 0.113 0.9510.45 0.24 - -00100%1
7T0D_EDO_B_637 72% 90% 0.141 0.9650.54 0.08 - -00100%1
7T0D_EDO_A_409 69% 80% 0.131 0.9450.45 0.4 - -00100%1
7T0D_EDO_B_636 69% 77% 0.146 0.960.41 0.5 - -00100%1
7T0D_EDO_A_403 67% 83% 0.15 0.9580.48 0.31 - -00100%1
7T0D_EDO_B_643 66% 80% 0.137 0.9410.42 0.42 - -00100%1
7T0D_EDO_B_631 63% 91% 0.148 0.9430.46 0.11 - -00100%1
7T0D_EDO_B_634 59% 77% 0.15 0.9330.52 0.41 - -00100%1
7T0D_EDO_A_425 59% 82% 0.095 0.8750.46 0.34 - -00100%1
7T0D_EDO_A_410 57% 84% 0.145 0.9210.49 0.28 - -10100%1
7T0D_EDO_B_630 54% 76% 0.173 0.9390.4 0.54 - -10100%1
7T0D_EDO_A_408 54% 77% 0.163 0.9270.46 0.47 - -00100%1
7T0D_EDO_A_407 53% 88% 0.175 0.9380.45 0.22 - -00100%1
7T0D_EDO_B_638 52% 87% 0.119 0.8750.44 0.26 - -00100%1
7T0D_EDO_A_411 50% 86% 0.19 0.940.54 0.19 - -00100%1
7T0D_EDO_A_415 49% 90% 0.165 0.910.45 0.18 - -00100%1
7T0D_EDO_B_640 48% 88% 0.207 0.9520.4 0.28 - -00100%1
7T0D_EDO_A_413 47% 71% 0.187 0.9270.46 0.66 - -00100%1
7T0D_EDO_A_428 47% 81% 0.21 0.950.48 0.35 - -00100%1
7T0D_EDO_A_405 46% 76% 0.169 0.9060.5 0.44 - -00100%1
7T0D_EDO_B_605 46% 83% 0.175 0.910.41 0.37 - -20100%1
7T0D_EDO_B_635 45% 88% 0.155 0.8850.54 0.13 - -00100%1
7T0D_EDO_B_632 37% 86% 0.194 0.8910.46 0.26 - -00100%1
7T0D_EDO_B_607 36% 85% 0.188 0.8820.56 0.19 - -10100%1
7T0D_EDO_B_642 36% 81% 0.202 0.8940.4 0.42 - -10100%1
7T0D_EDO_B_623 35% 82% 0.274 0.9660.44 0.37 - -00100%1
7T0D_EDO_B_614 34% 85% 0.226 0.9090.46 0.29 - -10100%1
7T0D_EDO_A_416 33% 82% 0.202 0.8830.54 0.27 - -00100%1
7T0D_EDO_B_603 33% 87% 0.179 0.8560.66 0.05 - -00100%1
7T0D_EDO_A_421 31% 81% 0.245 0.9170.49 0.33 - -00100%1
7T0D_EDO_A_402 30% 83% 0.246 0.9090.36 0.42 - -30100%1
7T0D_EDO_B_612 27% 84% 0.238 0.8840.48 0.28 - -00100%1
7T0D_EDO_B_606 27% 80% 0.202 0.8460.52 0.32 - -10100%1
7T0D_EDO_B_622 22% 83% 0.264 0.8810.46 0.32 - -10100%1
7T0D_EDO_B_639 22% 77% 0.328 0.9460.3 0.6 - -20100%1
7T0D_EDO_A_404 20% 76% 0.19 0.7940.37 0.56 - -00100%1
7T0D_EDO_A_414 20% 82% 0.24 0.8430.45 0.35 - -00100%1
7T0D_EDO_A_423 20% 86% 0.197 0.7980.5 0.22 - -10100%1
7T0D_EDO_B_609 19% 80% 0.24 0.8360.46 0.38 - -00100%1
7T0D_EDO_B_641 19% 81% 0.193 0.7870.45 0.38 - -10100%1
7T0D_EDO_B_611 19% 83% 0.253 0.8460.45 0.34 - -20100%1
7T0D_EDO_B_633 18% 76% 0.332 0.9260.33 0.62 - -10100%1
7T0D_EDO_A_422 17% 88% 0.238 0.8180.51 0.18 - -20100%1
7T0D_EDO_A_406 14% 80% 0.27 0.8220.46 0.39 - -00100%1
7T0D_EDO_B_613 14% 86% 0.336 0.890.5 0.22 - -00100%1
7T0D_EDO_B_608 11% 84% 0.304 0.8220.45 0.32 - -20100%1
7T0D_EDO_B_616 11% 81% 0.143 0.6510.48 0.34 - -10100%1
7T0D_EDO_B_610 9% 88% 0.178 0.6720.6 0.09 - -10100%1
7T0D_EDO_B_625 9% 89% 0.287 0.7830.55 0.09 - -00100%1
7T0D_EDO_B_644 7% 83% 0.348 0.8080.46 0.32 - -00100%1
7T0D_EDO_B_624 6% 83% 0.256 0.6970.48 0.31 - -10100%1
7T0D_EDO_B_619 6% 81% 0.288 0.7260.5 0.33 - -00100%1
7T0D_EDO_A_426 6% 82% 0.287 0.710.47 0.34 - -00100%1
7T0D_EDO_B_618 6% 82% 0.366 0.7910.49 0.31 - -00100%1
7T0D_EDO_B_620 5% 80% 0.384 0.8050.5 0.35 - -00100%1
7T0D_EDO_A_417 5% 90% 0.3 0.7180.53 0.08 - -00100%1
7T0D_EDO_A_419 5% 84% 0.447 0.8620.4 0.36 - -40100%1
7T0D_EDO_B_621 4% 83% 0.434 0.830.46 0.33 - -10100%1
7T0D_EDO_A_427 4% 88% 0.369 0.7550.5 0.19 - -00100%1
7T0D_EDO_A_418 4% 89% 0.392 0.7590.52 0.12 - -20100%1
7T0D_EDO_B_617 3% 82% 0.337 0.6770.5 0.31 - -00100%1
7T0D_EDO_A_420 3% 78% 0.553 0.8920.39 0.51 - -10100%1
7T0D_EDO_B_604 3% 74% 0.507 0.8260.44 0.57 - -40100%1
7T0D_EDO_A_424 2% 87% 0.382 0.6580.46 0.25 - -20100%1
7T0D_EDO_B_615 1% 86% 0.397 0.511 0.52 0.21 - -00100%1
7T08_EDO_A_407 93% 77% 0.087 0.9810.49 0.44 - -00100%1
7T09_EDO_B_607 81% 83% 0.116 0.9690.48 0.3 - -20100%1
7T0A_EDO_B_608 76% 81% 0.135 0.9730.46 0.36 - -00100%1
7T0E_EDO_B_615 65% 84% 0.144 0.9460.46 0.31 - -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