Two ADV main-scaffolds were dominant among the top cross-docking ADV-conformers. The dominant scaffold was present in 70.3 % of the children while the rest of the children mostly predicted one secondary scaffold (as calculated by DW/Chemistry/ Analyse Scaffolds/Most central ring system). The top-child ID number 35399 (2860 NN), representative of the main scaffold, predicted star-like DWBEL-and ADV-conformers with one central bipartite cyclohexane/5-ring from which 3 arms ± rings expanded in symmetrical directions (Figure , top-child: 35399). The 35399 docked most of the amino acids in the 3-chain side-cavities of the gpGVHSV R4-TrD interface (Table ). The representative top-child of the secondary scaffold (4566 ID, 401 NN), predicted also an star-like conformation but with a unique central cyclohexane from which 3 arms ± rings expanded in symmetrical directions (Figure , top-child: 4566).