All-Atom Four-Body Knowledge-Based Statistical Potentials to Distinguish Native Protein Structures from Nonnative Folds

Table 8

All-atom four-body statistical potential derived using a 6-letter alphabet and a 12 Å cutoff.

Quad	Count
CCCC	4107297
CCCM	1924
CCCN	4142684
CCCO	6462239
CCCS	297980
CCCX	2996
CCMM	157
CCMN	3758
CCMO	6511
CCMS	2320
CCMX	15
CCNN	1871781
CCNO	8544461
CCNS	128008
CCNX	2159
CCOO	3686844
CCOS	205846
CCOX	4995
CCSS	15467
CCSX	148
CCXX	161
CMMM	29
CMMN	164
CMMO	293
CMMS	665
CMMX	1
CMNN	2643
CMNO	7243
CMNS	2610
CMNX	30
CMOO	9551
CMOS	1041
CMOX	77
CMSS	2052
CMSX	13
CMXX	6
CNNN	122810
CNNO	2117811
CNNS	16884
CNNX	631
CNOO	2981894
CNOS	99630
CNOX	2400
CNSS	4318
CNSX	38
CNXX	68
COOO	683049
COOS	38976
COOX	24064
COSS	4524
COSX	64
COXX	84
CSSS	320
CSSX	5
CSXX	4
CXXX	12
MMMM	83
MMMN	42
MMMO	31
MMMS	379
MMMX	0			—
MMNN	85			1.836638
MMNO	113			1.608913
MMNS	364			3.698853
MMNX	0			—
MMOO	320			2.311659
MMOS	104			3.104429
MMOX	3			2.386025
MMSS	254			5.375177
MMSX	2			3.791851
MMXX	0			—
MNNN	1048			0.520184
MNNO	1323			0.093906
MNNS	562			1.303999
MNNX	6			0.153922
MNOO	4193			0.544515
MNOS	352			0.74942
MNOX	31			0.515747
MNSS	793			2.985098
MNSX	5			1.305273
MNXX	9			2.683083
MOOO	5790			1.111435
MOOS	167			0.676269
MOOX	171			1.508056
MOSS	211			2.359752
MOSX	4			1.158007
MOXX	55			3.418848
MSSS	62			3.8869
MSSX	2			2.739925
MSXX	0			—
MXXX	16
NNNN	5639
NNNO	60175
NNNS	538
NNNX	39
NNOO	384854
NNOS	6209
NNOX	354
NNSS	319
NNSX	6
NNXX	7
NOOO	227156
NOOS	11871
NOOX	3214
NOSS	951
NOSX	13
NOXX	66
NSSS	35
NSSX	0			—
NSXX	0			—
NXXX	3
OOOO	61473
OOOS	5019
OOOX	9614
OOSS	331
OOSX	45
OOXX	144
OSSS	38
OSSX	3
OSXX	0			—
OXXX	5			2.624158
SSSS	11			2.686034
SSSX	0	0		—
SSXX	0	0		—
SXXX	0	0		—
XXXX	0	0		—