Figure 13

Smoothed inter-residue contacts c ( i , j ) (Eq. 4). It is presumed that residue pair (i, j) is in contact (i.e., c(i, j) = 1), and that the other pairs are non-contacting. Equation 4 provides negative c _s (i', j') at sites where an inequality, |i - i'| + |j - j'| + |(|i - i'| - |j - j'|)| > 5, is satisfied. Besides, this inequality is satisfied without exception when any one of the three inequalities, |i - i'| > 2, |j - j'| > 2, or ||i - i'| - |j - j'|| > 2, is met. Those negative c(i, j) = 1), and that the other pairs are non-contacting. Equation 4 provides negative c _s (i', j') are reset to zero (see text).