Table 1. Correlations between optimized force constants associated with contact orders of k≤5, indicative of compensating interactions between near neighbors along the sequence.
k = 1 | k = 2 | k = 3 | k = 4 | k = 5 | |
k = 1 | 1.000 | −0.274 | 0.206 | 0.259 | −0.285 |
k = 2 | −0.641 (−0.193) | 1.000 | −0.689 | −0.169 | 0.256 |
k = 3 | 0.610 (−0.353) | −0.578 (−0.562) | 1.000 | 0.251 | −0.437 |
k = 4 | 0.206 (−0.100) | 0.042 (−0.210) | 0.307 (−0.128) | 1.000 | −0.614 |
k = 5 | −0.340 (−0.189) | 0.082 (0.163) | −0.454 (−0.201) | −0.787 (−0.500) | 1.000 |
The upper triangle indicates results for all residues (written in boldface), and the lower triangle indicates results for pairs of residues in helices (strands) only. See Methods for calculation details.