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