Table 2 Side chain placement for a fixed backbone.
From: Beyond rotamers: a generative, probabilistic model of side chains in proteins
Structure | L, Ba | Lennard-Jonesb | BASILISKc | BASILISK BBd | IRECSe | SCWRL 4e | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|
|  |  | χ 1 (%) | χ 2 | χ 1 (%) f | χ 1 (%) | χ 2 | χ 1 (%) f | χ 1 (%) | χ 2 | χ 1 (%) f | χ 1 (%) | χ 2 | χ 1 (%) f | χ 1 (%) | χ 2 | χ 1 (%) f |
1NAR | 289, 45 | 77.78 | 76.92 | 73.33 | 87.50 | 93.33 | 87.50 | 84.44 | 70.37 | 86.67 | 79.31 |
5P21 | 166, 21 | 90.48 | 77.78 | 85.71 | 100.00 | 95.24 | 88.89 | 95.24 | 88.89 | 100.00 | 80.00 |
1BJ7 | 150, 12 | 91.67 | 75.00 | 100.00 | 77.78 | 100.00 | 77.78 | 91.67 | 75.00 | 83.33 | 85.71 |
1GCI | 269, 40 | 95.00 | 86.67 | 97.50 | 81.25 | 100.00 | 81.25 | 95.00 | 85.71 | 97.50 | 93.33 |
2BAA | 243, 30 | 86.67 | 60.00 | 83.33 | 86.67 | 90.00 | 82.35 | 86.67 | 81.25 | 90.00 | 94.12 |
1DHN | 121, 15 | 93.33 | 100.00 | 100.00 | 85.71 | 86.67 | 100.00 | 93.33 | 100.00 | 93.33 | 100.00 |
1AMM | 174, 22 | 90.91 | 100.00 | 100.00 | 92.86 | 100.00 | 92.86 | 100.00 | 85.71 | 86.36 | 90.91 |
1IC6 | 279, 47 | 89.36 | 73.68 | 91.49 | 70.00 | 93.62 | 75.00 | 91.49 | 73.68 | 93.62 | 85.00 |
1KOE | 172, 26 | 80.77 | 92.86 | 73.08 | 84.62 | 80.77 | 84.62 | 92.31 | 92.86 | 88.46 | 84.62 |
2HVM | 273, 43 | 83.72 | 74.07 | 95.35 | 82.76 | 90.70 | 89.66 | 90.70 | 85.19 | 90.70 | 84.62 |
3LZT | 129, 10 | 80.00 | 83.33 | 70.00 | 83.33 | 80.00 | 83.33 | 100.00 | 83.33 | 100.00 | 83.33 |
1CEX | 197, 24 | 95.83 | 89.47 | 100.00 | 100.00 | 95.83 | 100.00 | 87.50 | 94.74 | 100.00 | 100.00 |
1AGY | 197, 25 | 92.00 | 84.21 | 96.00 | 100.00 | 96.00 | 100.00 | 84.00 | 94.74 | 92.00 | 100.00 |
1EDG | 380, 76 | 85.53 | 65.85 | 85.53 | 85.00 | 90.79 | 81.82 | 85.53 | 80.49 | 89.47 | 86.05 |
1THV | 207, 20 | 85.00 | 76.92 | 80.00 | 91.67 | 85.00 | 92.31 | 90.00 | 76.92 | 90.00 | 100.00 |
2CPL | 164, 24 | 95.83 | 73.33 | 91.67 | 85.71 | 95.83 | 93.33 | 100.00 | 80.00 | 95.83 | 93.33 |
1NPK | 150, 16 | 100.00 | 60.00 | 100.00 | 80.00 | 100.00 | 90.00 | 93.75 | 88.89 | 87.50 | 88.89 |
1MLA | 305, 38 | 97.37 | 71.43 | 97.37 | 86.36 | 100.00 | 86.36 | 94.74 | 75.00 | 92.11 | 84.21 |
1ARB | 263, 37 | 89.19 | 90.48 | 89.19 | 88.89 | 86.49 | 85.00 | 86.49 | 68.42 | 83.78 | 90.00 |
1MML | 251, 19 | 78.95 | 81.82 | 84.21 | 75.00 | 89.47 | 91.67 | 94.74 | 83.33 | 94.74 | 91.67 |
1CHD | 198, 26 | 96.15 | 68.75 | 96.15 | 81.25 | 100.00 | 76.47 | 92.31 | 73.33 | 92.31 | 80.00 |
1QQ4 | 198, 25 | 80.00 | 60.00 | 84.00 | 80.00 | 84.00 | 90.91 | 88.00 | 63.64 | 88.00 | 81.82 |
1QJ4 | 256, 36 | 83.33 | 75.00 | 91.67 | 81.48 | 94.44 | 81.48 | 91.67 | 85.71 | 94.44 | 81.48 |
1B9O | 123, 14 | 78.57 | 50.00 | 71.43 | 57.14 | 78.57 | 50.00 | 92.86 | 66.67 | 92.86 | 44.44 |
1BYI | 224, 30 | 80.00 | 86.67 | 100.00 | 100.00 | 96.67 | 94.12 | 90.00 | 87.50 | 93.33 | 100.00 |
1XNB | 185, 22 | 90.91 | 91.67 | 100.00 | 91.67 | 95.45 | 100.00 | 100.00 | 66.67 | 95.45 | 91.67 |
2PTH | 193, 19 | 94.74 | 100.00 | 100.00 | 100.00 | 94.74 | 100.00 | 94.74 | 100.00 | 100.00 | 100.00 |
1WHI | 122, 12 | 91.67 | 100.00 | 100.00 | 75.00 | 100.00 | 75.00 | 91.67 | 100.00 | 100.00 | 100.00 |
153L | 185, 26 | 84.62 | 93.33 | 96.15 | 93.33 | 88.46 | 86.67 | 100.00 | 87.50 | 100.00 | 100.00 |
1QTW | 285, 35 | 94.29 | 84.00 | 91.43 | 91.67 | 91.43 | 83.33 | 88.57 | 70.83 | 97.14 | 80.77 |
2IHL | 129, 12 | 66.67 | 75.00 | 75.00 | 75.00 | 83.33 | 75.00 | 100.00 | 75.00 | 100.00 | 75.00 |
1CZ9 | 139, 14 | 85.71 | 88.89 | 85.71 | 100.00 | 100.00 | 100.00 | 100.00 | 88.89 | 100.00 | 100.00 |
2RN2 | 155, 11 | 90.91 | 87.50 | 90.91 | 87.50 | 90.91 | 100.00 | 81.82 | 100.00 | 81.82 | 100.00 |
1RCF | 169, 28 | 92.86 | 87.50 | 96.43 | 82.61 | 100.00 | 95.83 | 82.14 | 80.00 | 92.86 | 90.91 |
7RSA | 124, 12 | 75.00 | 100.00 | 75.00 | 100.00 | 75.00 | 100.00 | 75.00 | 100.00 | 91.67 | 100.00 |
1A8Q | 274, 39 | 87.18 | 70.00 | 71.79 | 93.75 | 89.74 | 80.95 | 94.87 | 87.50 | 92.31 | 95.65 |
1CEM | 363, 55 | 89.09 | 64.52 | 83.64 | 77.42 | 94.55 | 79.41 | 89.09 | 80.00 | 89.09 | 80.00 |
1AAC | 105, 13 | 100.00 | 75.00 | 100.00 | 100.00 | 100.00 | 100.00 | 92.31 | 87.50 | 100.00 | 87.50 |
1PLC | 99, 10 | 100.00 | 85.71 | 90.00 | 66.67 | 100.00 | 71.43 | 90.00 | 85.71 | 100.00 | 71.43 |
1BD8 | 156, 11 | 81.82 | 100.00 | 90.91 | 85.71 | 90.91 | 100.00 | 100.00 | 100.00 | 90.91 | 85.71 |
1NLS | 237, 23 | 78.26 | 85.71 | 86.96 | 87.50 | 86.96 | 81.25 | 86.96 | 80.00 | 91.30 | 81.25 |
1IXH | 321, 44 | 81.82 | 72.00 | 84.09 | 84.62 | 88.64 | 85.19 | 93.18 | 75.00 | 88.64 | 84.00 |
1AKO | 268, 35 | 77.14 | 72.73 | 85.71 | 91.30 | 85.71 | 91.30 | 100.00 | 81.48 | 97.14 | 88.46 |
Average | 207, 27 | 87.44 | 80.65 | 89.32 | 86.25 | 92.08 | 87.49 | 91.92 | 83.43 | 93.13 | 88.26 |