PDB ID | DoFs | atoms | Vina | Vina100 | 12 Ă—Vina | 24 Ă—Vina | DINC | 288 Ă—Vina | DINC best |
---|---|---|---|---|---|---|---|---|---|
2FIB | 10 | 30 | 2.03 ±0.12 | 1.34 ±0.24 | 1.19 ±0.39 | 1.31 ±0.45 | 0.81 ±0.13 | 0.70 | 0.70 |
2PQ2 | 11 | 26 | 4.45 ±0.63 | 4.20 ±0.59 | 3.52 ±0.61 | 3.12 ±0.06 | 3.02 ±0.08 | 2.66 | 1.76 |
1SUA | 11 | 27 | 2.88 ±0.92 | 1.85 ±0.29 | 1.90 ±0.25 | 1.74 ±0.13 | 0.98 ±0.10 | 1.20 | 0.96 |
1NVR | 12 | 29 | 3.24 ±1.02 | 3.17 ±1.11 | 1.14 ±0.16 | 1.20 ±0.19 | 1.20 ±0.18 | 0.74 | 0.74 |
2FNX | 14 | 29 | 5.04 ±0.31 | 4.74 ±0.39 | 3.92 ±0.36 | 2.89 ±0.63 | 2.83 ±0.25 | 1.60 | 1.60 |
1TJ9 | 14 | 30 | 3.66 ±1.17 | 5.73 ±0.24 | 2.32 ±0.18 | 2.13 ±0.13 | 2.02 ±0.10 | 1.53 | 1.53 |
2DQK | 14 | 33 | 4.24 ±0.44 | 3.92 ±0.16 | 3.51 ±0.34 | 3.41 ±0.39 | 2.42 ±0.37 | 2.00 | 2.00 |
1GYB | 14 | 36 | 2.96 ±1.34 | 4.22 ±0.39 | 1.74 ±0.18 | 1.64 ±0.85 | 1.02 ±0.15 | 0.81 | 0.81 |
1TK4 | 15 | 30 | 6.66 ±1.25 | 7.70 ±0.39 | 4.83 ±0.54 | 3.46 ±0.92 | 2.87 ±0.75 | 2.03 | 1.78 |
1NX0 | 15 | 32 | 4.20 ±0.86 | 3.61 ±0.22 | 3.45 ±0.03 | 3.26 ±0.09 | 3.05 ±0.35 | 1.21 | 1.21 |
1BE9 | 15 | 35 | 4.70 ±1.84 | 3.41 ±1.86 | 1.38 ±0.23 | 1.21 ±0.27 | 1.25 ±0.23 | 0.85 | 0.85 |
1PAU | 16 | 35 | 3.22 ±0.10 | 1.68 ±0.13 | 1.46 ±0.13 | 1.47 ±0.17 | 1.22 ±0.10 | 1.14 | 1.01 |
1IHJ | 16 | 39 | 4.14 ±1.14 | 4.77 ±0.42 | 2.43 ±0.69 | 2.55 ±0.66 | 1.83 ±0.25 | 1.49 | 1.49 |
1JQ8 | 16 | 40 | 7.05 ±1.70 | 6.31 ±0.80 | 4.55 ±0.63 | 4.22 ±0.13 | 1.97 ±0.12 | 1.89 | 1.68 |
2HPL | 17 | 41 | 3.35 ±0.67 | 2.60 ±0.40 | 1.78 ±0.34 | 1.51 ±0.36 | 1.52 ±0.35 | 0.98 | 0.98 |
2GNS | 18 | 41 | 2.53 ±1.17 | 2.09 ±0.17 | 1.98 ±0.07 | 1.64 ±0.30 | 1.58 ±0.20 | 1.15 | 1.15 |
2D5W | 19 | 37 | 4.78 ±2.61 | 1.43 ±0.10 | 1.38 ±0.08 | 1.33 ±0.06 | 1.16 ±0.12 | 1.14 | 1.14 |
1TJK | 19 | 41 | 8.50 ±0.91 | 9.35 ±0.72 | 7.31 ±0.15 | 6.79 ±1.09 | 4.28 ±0.15 | 1.22 | 1.22 |
1JWG | 19 | 43 | 4.95 ±0.51 | 6.03 ±1.12 | 3.38 ±0.75 | 3.38 ±0.76 | 2.43 ±0.08 | 2.16 | 1.78 |
2DUJ | 19 | 43 | 3.40 ±0.51 | 2.99 ±0.27 | 2.21 ±0.34 | 2.28 ±0.14 | 2.24 ±0.06 | 1.65 | 1.65 |
1TG4 | 19 | 46 | 8.97 ±0.37 | 8.66 ±0.20 | 7.82 ±0.25 | 7.78 ±0.11 | 3.50 ±0.79 | 0.77 | 0.77 |
1SP5 | 20 | 46 | 4.23 ±1.13 | 5.29 ±0.16 | 1.69 ±0.65 | 1.34 ±0.13 | 1.14 ±0.07 | 1.01 | 1.01 |
1W9E | 20 | 52 | 5.91 ±1.61 | 4.59 ±2.54 | 3.19 ±1.29 | 2.23 ±0.95 | 2.32 ±0.54 | 1.54 | 1.54 |
1FCH | 21 | 45 | 3.82 ±1.32 | 5.00 ±1.76 | 1.93 ±0.35 | 2.03 ±0.60 | 1.85 ±0.45 | 1.07 | 1.07 |
1BHX | 21 | 46 | 4.47 ±0.52 | 4.38 ±0.85 | 3.36 ±0.66 | 2.60 ±0.35 | 2.86 ±0.56 | 1.33 | 1.33 |
2H9M | 22 | 41 | 4.05 ±0.99 | 3.33 ±0.62 | 2.81 ±0.24 | 2.25 ±0.65 | 2.46 ±0.03 | 1.43 | 1.35 |
average | 4.52 ±0.97 | 4.32 ±0.62 | 2.93 ±0.38 | 2.64 ±0.41 | 2.07 ±0.25 | 1.36 | 1.27 |