Table 6.

Composite scoring function which integrates the deviation of the experimental constraints from the theoretical maximum distance as well as the Rosetta energy and compactness of the structure

$\mathit{\text{Score}}=LN\frac{X_{i,\text{max}}{X}_i}{X_{i,\text{max}}{X}_{i,\text{opt}}}$
With
	Optimal Xopt	Maximal allowed Xmax
Chemical Cross-Link	<19 Å	<24 Å
Disulfide	<8 Å	<13 Å
Energy (bk_tot)	<−250	<−180
Compactness (SASA)	<15.000	<20.000

If X_i<X_opt than $\frac{X_{i,\text{max}}{X}_i}{X_{i,\text{max}}{X}_{i,\text{opt}}}$ was set to 1, where else in the case X_i>X_max the term was set to 0.05.