PDB ID | DoFs | atoms | Vina | Vina100 | 12 Ă—Vina | 24 Ă—Vina | DINC | 288 Ă—Vina | DINC best |
---|---|---|---|---|---|---|---|---|---|
2W5G | 7 | 38 | 5.29 ±2.11 | 3.84 ±2.23 | 2.20 ±0.72 | 1.46 ±0.55 | 1.09 ±0.05 | 0.84 | 0.84 |
3EB1 | 8 | 30 | 5.60 ±0.16 | 5.72 ±0.03 | 4.68 ±0.44 | 4.52 ±0.17 | 3.01 ±0.57 | 4.23 | 1.96 |
2BVR | 9 | 31 | 5.78 ±0.87 | 4.79 ±0.35 | 4.08 ±0.60 | 3.69 ±0.61 | 3.55 ±0.57 | 3.03 | 1.90 |
3AAQ | 9 | 42 | 2.30 ±0.21 | 1.76 ±0.70 | 1.56 ±0.50 | 0.96 ±0.47 | 2.07 ±0.10 | 0.55 | 0.55 |
3UIL | 10 | 14 | 7.78 ±0.59 | 8.78 ±0.58 | 6.22 ±0.29 | 6.30 ±0.15 | 2.79 ±0.21 | 3.05 | 2.56 |
3USX | 12 | 16 | 6.78 ±0.25 | 6.92 ±0.17 | 5.84 ±0.42 | 5.45 ±0.61 | 2.89 ±0.84 | 2.72 | 2.05 |
1G7V | 12 | 29 | 3.36 ±0.58 | 5.36 ±0.36 | 2.34 ±0.41 | 2.37 ±0.24 | 2.43 ±0.27 | 1.87 | 1.72 |
3DRI | 13 | 42 | 8.13 ±0.91 | 8.51 ±1.17 | 5.46 ±1.09 | 4.15 ±0.37 | 3.46 ±0.45 | 3.90 | 2.94 |
3EAX | 14 | 48 | 5.93 ±0.63 | 6.16 ±0.43 | 5.29 ±0.19 | 5.20 ±0.45 | 4.85 ±0.23 | 4.41 | 4.29 |
3R0Y | 15 | 50 | 4.46 ±0.52 | 4.86 ±0.05 | 4.07 ±0.10 | 3.93 ±0.04 | 3.85 ±0.10 | 3.89 | 3.34 |
4FNN | 16 | 20 | 3.87 ±1.01 | 4.23 ±0.53 | 2.46 ±0.49 | 2.31 ±0.40 | 1.75 ±0.23 | 1.42 | 1.42 |
2BVS | 17 | 42 | 4.62 ±1.10 | 4.11 ±0.16 | 3.31 ±0.60 | 3.29 ±0.70 | 3.01 ±0.69 | 2.06 | 2.06 |
3FVH | 18 | 53 | 4.87 ±0.20 | 1.46 ±0.20 | 4.21 ±0.10 | 3.61 ±0.44 | 3.07 ±0.29 | 2.90 | 2.23 |
1SH9 | 18 | 56 | 4.73 ±3.16 | 1.63 ±0.37 | 1.55 ±0.41 | 1.39 ±0.17 | 1.25 ±0.07 | 0.82 | 0.82 |
1STR | 20 | 64 | 2.73 ±0.86 | 3.29 ±1.13 | 2.06 ±0.30 | 1.74 ±0.24 | 1.85 ±0.12 | 1.37 | 1.37 |
2CE9 | 20 | 68 | 5.46 ±1.76 | 6.96 ±0.26 | 2.70 ±2.05 | 2.46 ±1.72 | 1.28 ±0.15 | 0.86 | 0.86 |
3GX0 | 21 | 50 | 5.27 ±0.76 | 4.12 ±0.79 | 2.45 ±0.71 | 2.64 ±1.18 | 1.76 ±0.10 | 1.63 | 1.63 |
3JZH | 21 | 54 | 7.13 ±0.31 | 8.23 ±0.89 | 6.57 ±0.13 | 6.61 ±0.12 | 5.15 ±1.53 | 4.93 | 2.48 |
4E67 | 22 | 68 | 2.54 ±0.86 | 2.62 ±0.18 | 1.08 ±0.30 | 1.12 ±0.21 | 1.24 ±0.25 | 0.63 | 0.63 |
3H89 | 23 | 81 | 5.18 ±0.91 | 5.81 ±0.10 | 3.46 ±0.29 | 4.00 ±0.98 | 1.64 ±0.31 | 2.71 | 1.33 |
2HKF | 25 | 70 | 5.69 ±1.30 | 3.16 ±0.78 | 2.62 ±0.88 | 1.99 ±0.67 | 1.67 ±0.30 | 1.25 | 1.25 |
4GAH | 27 | 71 | 6.17 ±2.24 | 3.34 ±0.74 | 3.22 ±0.81 | 2.92 ±0.66 | 2.08 ±0.24 | 1.51 | 1.51 |
3IFL | 27 | 76 | 4.35 ±0.32 | 3.96 ±0.13 | 3.08 ±0.47 | 2.33 ±0.31 | 2.32 ±0.06 | 1.72 | 1.72 |
4EZX | 28 | 72 | 5.56 ±0.94 | 6.20 ±0.18 | 5.27 ±0.68 | 5.29 ±0.18 | 3.32 ±0.58 | 3.29 | 2.23 |
3URI | 28 | 79 | 5.17 ±1.22 | 2.58 ±0.91 | 2.15 ±0.28 | 1.84 ±0.30 | 1.76 ±0.15 | 1.45 | 1.45 |
1BAI | 29 | 75 | 3.79 ±1.94 | 2.20 ±0.25 | 1.78 ±0.32 | 1.84 ±0.14 | 1.74 ±0.09 | 1.36 | 1.36 |
2ER6 | 30 | 78 | 5.75 ±1.84 | 1.58 ±0.06 | 2.20 ±0.81 | 1.65 ±0.16 | 1.50 ±0.11 | 1.26 | 1.26 |
1M4H | 31 | 76 | 4.98 ±2.53 | 2.92 ±0.64 | 2.29 ±0.35 | 2.19 ±0.64 | 2.08 ±0.16 | 1.51 | 1.51 |
average | 5.12 ±1.07 | 4.47 ±0.51 | 3.36 ±0.53 | 3.12 ±0.46 | 2.44 ±0.32 | 2.18 | 1.76 |