Skip to main content

Table 1 Structural descriptors

From: ASH structure alignment package: Sensitivity and selectivity in domain classification

Term Definition Description Weight Full TS Red TS
ΔNres N q N t ( N q + N t ) / 2 MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaadaWcaaqaaiabd6eaonaaBaaaleaacqWGXbqCaeqaaOGaeyOeI0IaemOta40aaSbaaSqaaiabdsha0bqabaaakeaacqGGOaakcqWGobGtdaWgaaWcbaGaemyCaehabeaakiabgUcaRiabd6eaonaaBaaaleaacqWG0baDaeqaaOGaeiykaKIaei4la8IaeGOmaidaaaaa@3D39@ Relative difference in the sequence lengths Nq and Nt 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 C o q α N q C o t α N t MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaadaWcaaqaaiabdoeadjabd+gaVnaaDaaaleaacqWGXbqCaeaaiiGacqWFXoqyaaaakeaacqWGobGtdaWgaaWcbaGaemyCaehabeaaaaGccqGHsisldaWcaaqaaiabdoeadjabd+gaVnaaDaaaleaacqWG0baDaeaacqWFXoqyaaaakeaacqWGobGtdaWgaaWcbaGaemiDaqhabeaaaaaaaa@3EB7@ 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 N q α N q N t α N t MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaadaWcaaqaaiabd6eaonaaDaaaleaacqWGXbqCaeaaiiGacqWFXoqyaaaakeaacqWGobGtdaWgaaWcbaGaemyCaehabeaaaaGccqGHsisldaWcaaqaaiabd6eaonaaDaaaleaacqWG0baDaeaacqWFXoqyaaaakeaacqWGobGtdaWgaaWcbaGaemiDaqhabeaaaaaaaa@3C15@ Differences in the relative number of helical residues W α 3.21 0.68
ΔNβ N q β N q N t β N t MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaadaWcaaqaaiabd6eaonaaDaaaleaacqWGXbqCaeaaiiGacqWFYoGyaaaakeaacqWGobGtdaWgaaWcbaGaemyCaehabeaaaaGccqGHsisldaWcaaqaaiabd6eaonaaDaaaleaacqWG0baDaeaacqWFYoGyaaaakeaacqWGobGtdaWgaaWcbaGaemiDaqhabeaaaaaaaa@3C19@ Differences in the relative number of strand residues W β 1.71 0.76
  1. 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.