Research Article
All-Atom Four-Body Knowledge-Based Statistical Potentials to Distinguish Native Protein Structures from Nonnative Folds
Table 2
Atomic four-body statistical potentials employing a 4-letter alphabet.
| Quad | No cutoff | 12 Å cutoff | 8 Å cutoff | 4.8 Å cutoff | Count | | Count | | Count | | Count | |
| CCCC | 1711740 | 0.183570 | 1692278 | 0.170562 | 1643281 | 0.156444 | 922742 | 0.224573 | CCCN | 1823746 | 0.190871 | 1790819 | 0.180796 | 1726843 | 0.169730 | 1229054 | 0.134910 | CCCO | 2807489 | 0.046213 | 2750767 | 0.037094 | 2616669 | 0.031930 | 1533444 | 0.081509 | CCCS | 119435 | −0.201538 | 117868 | −0.213776 | 114416 | −0.227745 | 53175 | −0.077468 | CCNN | 832442 | 0.140340 | 803373 | 0.137776 | 764343 | 0.132553 | 612799 | 0.046021 | CCNO | 3838549 | −0.179748 | 3746112 | −0.187158 | 3593186 | −0.195913 | 2695736 | −0.253612 | CCNS | 53655 | 0.055872 | 52228 | 0.049592 | 50119 | 0.040628 | 28817 | 0.098480 | CCOO | 1643096 | −0.069578 | 1559797 | −0.064976 | 1408171 | −0.047423 | 796121 | 0.017752 | CCOS | 86638 | −0.109530 | 84188 | −0.115055 | 79331 | −0.116117 | 36077 | 0.043594 | CCSS | 6408 | −0.898511 | 6343 | −0.912057 | 6183 | −0.927840 | 3685 | −0.885580 | CNNN | 64504 | 0.507783 | 51089 | 0.591028 | 39927 | 0.671251 | 18568 | 0.821250 | CNNO | 961282 | −0.145664 | 903031 | −0.136526 | 842880 | −0.133431 | 647785 | −0.201598 | CNNS | 7628 | 0.335839 | 6916 | 0.360394 | 6293 | 0.374540 | 3499 | 0.446952 | CNOO | 1380693 | −0.260215 | 1283449 | −0.246502 | 1168615 | −0.232641 | 757532 | −0.226873 | CNOS | 44097 | −0.082434 | 41962 | −0.078877 | 39453 | −0.078957 | 22706 | −0.021519 | CNSS | 2153 | −0.691035 | 2131 | −0.704562 | 2085 | −0.721950 | 1312 | −0.703279 | COOO | 336824 | −0.081946 | 278989 | −0.018132 | 207773 | 0.083015 | 65646 | 0.400894 | COOS | 17883 | 0.051201 | 16090 | 0.079093 | 13492 | 0.128713 | 4711 | 0.403174 | COSS | 2068 | −0.630846 | 2009 | −0.636259 | 1897 | −0.638215 | 1001 | −0.543084 | CSSS | 214 | −1.741768 | 214 | −1.759742 | 207 | −1.772176 | 125 | −1.735618 | NNNN | 4632 | 0.482308 | 2068 | 0.814499 | 1118 | 1.054783 | 133 | 1.796871 | NNNO | 36223 | 0.233848 | 22370 | 0.425144 | 15881 | 0.547103 | 5948 | 0.791107 | NNNS | 407 | 0.564301 | 263 | 0.735926 | 203 | 0.821548 | 58 | 1.183114 | NNOO | 190771 | −0.268893 | 158110 | −0.205359 | 137906 | −0.172816 | 97822 | −0.206171 | NNOS | 3088 | 0.204035 | 2530 | 0.272582 | 2171 | 0.312201 | 1061 | 0.440643 | NNSS | 236 | −0.599166 | 230 | −0.605982 | 224 | −0.621354 | 79 | −0.351235 | NOOO | 129494 | −0.234026 | 92243 | −0.104725 | 67495 | 0.004100 | 26079 | 0.234579 | NOOS | 5426 | 0.001929 | 4626 | 0.053197 | 4007 | 0.088737 | 1832 | 0.246129 | NOSS | 436 | −0.522015 | 418 | −0.521701 | 405 | −0.534836 | 220 | −0.452305 | NSSS | 138 | −2.118466 | 138 | −2.136453 | 137 | −2.160159 | 48 | −1.887182 | OOOO | 39551 | −0.278298 | 23332 | −0.067103 | 12170 | 0.188717 | 1542 | 0.903421 | OOOS | 1462 | 0.137035 | 1007 | 0.280952 | 636 | 0.453674 | 78 | 1.182534 | OOSS | 158 | −0.339520 | 143 | −0.314191 | 125 | −0.282625 | 32 | 0.126633 | OSSS | 22 | −1.278314 | 22 | −1.296297 | 21 | −1.302962 | 5 | −0.862215 | SSSS | 50 | −3.855858 | 50 | −3.873832 | 50 | −3.900710 | 31 | −3.875603 |
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