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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
  1. The table shows the percentage of correctly predicted χ angles for the different MCMC experiments. anumber of residues (L), number of buried residues (B), busing the Lennard-Jones energy and BASILISK as a proposal distribution, cusing BASILISK without backbone information, dusing BASILISK with backbone information (BB), eusing IRECS or SCWRL with default parameters, fpercentage of correctly predicted χ2 angles given a correctly predicted χ1 angle.