PDB code of the complex | RMSD of the first rank result as compared to the X-ray (Ã…) | Energy rank of the lowest RMSD hit | Frequency rank/frequency of the best geometry | Lowest RMSD (Ã…) | Estimated free energy of binding (kcal/mol) | Experimental binding energy (kcal/mol) |
---|---|---|---|---|---|---|
1AI5 | 1.21 | 1 | 1/48 | 0.65 | -5.11 | -5.08 |
1AJP | 2.56 | 2 | 1/47 | 1.09 | -4.40 | -3.05 |
1AMW | 1.68 | 1 | 1/21 | 1.59 | -5.62 | -6.19 |
1BGQ | 1.03 | 1 | 1/48 | 0.71 | -6.27 | -11.69 |
1CBR | 1.00 | 1 | 1/51 | 0.92 | -7.94 | -10.58 |
1D3Q | 2.68 | 2 | 2/19 | 1.23 | -10.33 | -8.88 |
1D3T | 2.29 | 2 | 2/20 | 1.08 | -10.08 | -8.73 |
1DWB | 9.59 | 3 | 1/51 | 0.53 | -6.24 | -3.98 |
1FLR | 0.60 | 1 | 1/100 | 0.53 | -10.76 | -10.98 |
1GNI | 1.56 | 1 | 1/49 | 1.10 | -7.73 | -11.01 |
1HVJ | 3.12 | - | Â | Â | -10.03 | -14.27 |
1HVR | 0.65 | 1 | 1/26 | 0.54 | -14.74 | -12.97 |
1K4G | 2.82 | 4 | 1/30 | 1.66 | -6.98 | -7.99 |
1KV1 | 0.64 | 1 | 1/98 | 0.56 | -8.91 | -8.10 |
1LIF | 2.33 | 4 | 1/21 | 1.08 | -5.47 | -9.65 |
1M0N | 3.91 | - | Â | Â | -8.22 | -3.03 |
1M0Q | 2.24 | 5 | 33/1 | 1.46 | -5.99 | -5.30 |
1OLU | 1.34 | 1 | 4/10 | 0.74 | -6.96 | -6.01 |
1Q8T | 1.88 | 1 | 1/77 | 1.41 | -8.29 | -6.49 |
1RBP | 0.84 | 1 | 1/100 | 0.56 | -9.15 | -9.17 |
1S39 | 4.29 | 2 | 2/11 | 0.32 | -5.29 | -10.50 |
1U33 | 2.49 | 1 | 2/14 | 1.73 | -8.14 | -6.28 |
1ULB | 1.88 | 1 | 1/100 | 1.83 | -4.66 | -7.20 |
1UWT | 2.36 | 1 | 1/89 | 0.87 | -6.77 | -8.14 |
1X8R | 1.24 | 1 | 1/80 | 0.87 | -4.17 | -8.36 |
1XD1 | 2.92 | - | Â | Â | -11.12 | -10.80 |
1YDT | 2.2 | 2 | 1/30 | 0.74 | -10.14 | -9.98 |
1ZC9 | 2.71 | - | Â | Â | -4.00 | -4.39 |
2ACK | 3.96 | 8 | 8/1 | 1.07 | -4.72 | -8.97 |
2BAJ | 0.68 | 1 | 1/74 | 0.42 | -12.40 | -11.46 |
2BAK | 1.28 | 1 | 16/2 | 1.28 | -13.78 | -10.14 |
2CEQ | 7.14 | - | Â | Â | -4.66 | -9.92 |
2CET | 4.86 | - | Â | Â | -7.06 | -10.94 |
2CGR | 0.87 | 1 | 1/43 | 0.50 | -10.68 | -9.89 |
2CPP | 1.56 | 1 | 1/100 | 1.21 | -6.35 | -8.28 |
2D3U | 0.87 | 1 | 1/58 | 0.83 | -9.43 | -9.44 |
2D3Z | 4.68 | 3 | 2/20 | 0.69 | -8.89 | -9.06 |
2FDP | 2.35 | 5 | 73/1 | 1.68 | -13.67 | -10.35 |
2G94 | 3.13 | - | Â | Â | -7.57 | -12.99 |
2GBP | 0.99 | 1 | 1/90 | 0.92 | -4.18 | -10.37 |
2IFB | 2.03 | 2 | 1/45 | 1.10 | -6.03 | -7.41 |
2IWX | 0.88 | 1 | 1/68 | 0.55 | -6.66 | -9.11 |
2J77 | 1.9 | 1 | 1/100 | 1.85 | -7.52 | -6.67 |
2J78 | 0.83 | 1 | 2/11 | 0.83 | -6.41 | -8.75 |
2QFU | 2.75 | 3 | 3/1 | 1.02 | -6.29 | -5.70 |
2QWB | 4.38 | 13 | 6/5 | 1.17 | -5.40 | -3.74 |
2QWD | 1.36 | 1 | 1/54 | 0.97 | -6.80 | -6.62 |
2R04 | 2.06 | 2 | 3/21 | 1.02 | -8.97 | -8.87 |
2XIS | 1.20 | 1 | 1/95 | 1.15 | -5.43 | -7.94 |
2YPI | 4.73 | - | Â | Â | -3.09 | -6.57 |
3PTB | 1.35 | 1 | 1/100 | 0.51 | -5.66 | -6.47 |
4HMG | 1.82 | 1 | 1/22 | 1.02 | -4.78 | -3.48 |
7ABP | 2.15 | 2 | 2/13 | 1.64 | -4.58 | -8.78 |
 | Average: 2.34 without outliers (rmsd above 4 Å): 1.83 | 28 first hits | 30 first hits | Average: 1.00 |  |  |