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 | 1.22 | 1 | 1/100 | 0.65 | -5.06 | -5.08 |
1AJP | 2.73 | 2 | 1/97 | 1.07 | -4.82 | -3.05 |
1AMW | 2.13 | 1 | 1/35 | 0.87 | -5.67 | -6.19 |
1BGQ | 1.03 | 1 | 1/100 | 0.70 | -6.50 | -11.69 |
1CBR | 1.01 | 1 | 1/93 | 0.77 | -7.42 | -10.58 |
1D3Q | 2.77 | 2 | 2/40 | 0.85 | -11.47 | -8.88 |
1D3T | 2.09 | 3 | 1/60 | 0.99 | -10.37 | -8.73 |
1DWB | 0.72 | 1 | 1/100 | 0.54 | -4.87 | -3.98 |
1FLR | 0.39 | 1 | 1/100 | 0.39 | -8.54 | -10.98 |
1GNI | 3.01 | 2 | 1/69 | 1.01 | -6.80 | -11.01 |
1HVJ | 1.61 | 1 | 1/5 | 1.61 | -10.45 | -14.27 |
1HVR | 1.21 | 1 | 1/96 | 1.00 | -11.67 | -12.97 |
1K4G | 2.83 | 4 | 1/89 | 1.42 | -7.78 | -7.99 |
1KV1 | 0.6 | 1 | 1/100 | 0.58 | -9.33 | -8.10 |
1LIF | 3.1 | 4 | 3/17 | 0.93 | -4.51 | -9.65 |
1M0N | 1.18 | 1 | 1/86 | 1.02 | -7.65 | -3.03 |
1M0Q | 1.03 | 1 | 1/80 | 0.95 | -7.15 | -5.30 |
1OLU | 0.89 | 1 | 1/89 | 0.61 | -9.14 | -6.01 |
1Q8T | 1.9 | 1 | 1/100 | 1.41 | -7.58 | -6.49 |
1RBP | 0.85 | 1 | 1/100 | 0.56 | -8.46 | -9.17 |
1S39 | 4.29 | 2 | 1/95 | 0.33 | -4.65 | -10.50 |
1U33 | 0.86 | 1 | 1/43 | 0.80 | -9.82 | -6.28 |
1ULB | 0.7 | 1 | 1/100 | 0.64 | -5.09 | -7.20 |
1UWT | 2.35 | 1 | 1/53 | 0.71 | -6.47 | -8.14 |
1X8R | 1.26 | 1 | 1/100 | 0.96 | -3.10 | -8.36 |
1XD1 | 1.81 | 1 | 2/10 | 1.30 | -15.97 | -10.80 |
1YDT | 0.79 | 1 | 1/93 | 0.45 | -8.05 | -9.98 |
1ZC9 | 2.7 | 14 | 2/26 | 0.96 | -6.76 | -4.39 |
2ACK | 3.98 | 4 | 2/22 | 0.94 | -5.25 | -8.97 |
2BAJ | 0.66 | 1 | 1/100 | 0.55 | -12.50 | -11.46 |
2BAK | 1.21 | 1 | 1/98 | 0.64 | -14.20 | -10.14 |
2CEQ | 0.85 | 1 | 1/44 | 0.83 | -6.23 | -9.92 |
2CET | 2.61 | 1 | 2/15 | 0.96 | -7.76 | -10.94 |
2CGR | 0.9 | 1 | 1/100 | 0.68 | -10.05 | -9.89 |
2CPP | 1.21 | 1 | 1/100 | 1.21 | -6.26 | -8.28 |
2D3U | 0.68 | 1 | 1/100 | 0.54 | -7.11 | -9.44 |
2D3Z | 3.86 | 3 | 1/88 | 0.63 | -7.60 | -9.06 |
2FDP | 0.75 | 1 | 1/89 | 0.68 | -14.80 | -10.35 |
2G94 | 1.75 | 1 | 3/5 | 1.45 | -8.64 | -12.99 |
2GBP | 0.89 | 1 | 1/100 | 0.87 | -5.60 | -10.37 |
2IFB | 2.05 | 2 | 1/55 | 1.03 | -4.99 | -7.41 |
2IWX | 0.87 | 1 | 1/100 | 0.55 | -6.76 | -9.11 |
2J77 | 2.01 | 1 | 1/93 | 1.60 | -7.62 | -6.67 |
2J78 | 0.83 | 1 | 2/27 | 0.73 | -6.13 | -8.75 |
2QFU | 2.74 | 4 | 2/37 | 0.94 | -6.29 | -5.70 |
2QWB | 4.35 | 12 | 2/15 | 0.90 | -6.64 | -3.74 |
2QWD | 2.57 | 2 | 1/67 | 0.91 | -7.37 | -6.62 |
2R04 | 1.99 | 2 | 2/8 | 0.92 | -8.84 | -8.87 |
2XIS | 1.17 | 1 | 1/100 | 1.14 | -6.93 | -7.94 |
2YPI | 1.19 | 1 | 1/61 | 0.78 | -2.62 | -6.57 |
3PTB | 1.31 | 1 | 1/100 | 0.74 | -5.06 | -6.47 |
4HMG | 1.04 | 1 | 1/98 | 0.85 | -6.92 | -3.48 |
7ABP | 2.09 | 1 | 1/97 | 1.16 | -5.58 | -8.78 |
 | Average: 1.71 without outliers (rmsd above 4 Å): 1.61 | 38 first hits | 42 first hits | Average: 0.87 |  |  |