ASH structure alignment package: Sensitivity and selectivity in domain classification

BMC Bioinformatics

Table 1 Structural descriptors

Term	Definition	Description	Weight	Full TS	Red TS
ΔNres	$\frac{N_{q} - N_{t}}{(N_{q} + N_{t}) / 2}$	Relative difference in the sequence lengths N_q and N_t of query and template, respectively	W _Nr	51.94	5.92
ΔRg	Rg_q- Rg_t	Difference in the radii of gyration of the query and template	W _Rg	-0.33	-0.54
ΔCo	$\frac{C o_{q}^{α}}{N_{q}} - \frac{C o_{t}^{α}}{N_{t}}$	Difference in the relative contact orders of query and template, with the modification that only Cα atoms are used, and the cutoff distance was set to 10 Å	W _co	0.96	0.42
ΔNα	$\frac{N_{q}^{α}}{N_{q}} - \frac{N_{t}^{α}}{N_{t}}$	Differences in the relative number of helical residues	W _α	3.21	0.68
ΔNβ	$\frac{N_{q}^{β}}{N_{q}} - \frac{N_{t}^{β}}{N_{t}}$	Differences in the relative number of strand residues	W _β	1.71	0.76

The structural descriptor terms used in the ASH score are listed. Each descriptor is independent of alignment. The optimized weights of each term for the full training set (Full TS) and reduced training set (Red TS) are listed in the last two columns.

ISSN: 1471-2105