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Type | Mol 1 | Mol 2 | Interface area, Å2d | ΔiG kcal/mol e | ΔiG P-valuef |
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Range | iNat a | iNres b | SurfaceÃ…2c | Range | iNat | iNres | SurfaceÃ…2 |
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1 | 45G3-H2 | 101 | 23 | 6623 | 45G3-K2 | 87 | 24 | 5601 | 774.7 | −13.2 | 0.117 |
2 | 45G3-H2 | 77 | 19 | 6623 | VP1 | 78 | 23 | 17,505 | 769.1 | −2.2 | 0.605 |
3 | 45G3-K2 | 32 | 7 | 5601 | VP1 | 35 | 13 | 17,505 | 307.9 | −1.4 | 0.685 |
- a iNat indicates the number of interfacing atoms in the corresponding structure
- b iNres indicates the number of interfacing residues in the corresponding structure
- c Surface Ã…2 is the total solvent accessible surface area in square Ã…ngstroms
- d Interface area in Ã…2, calculated as difference in total accessible surface areas of isolated and interfacing structures divided by two
- e ΔiG indicates the solvation free energy gain upon formation of the interface, in kcal/M
- f ΔiG P-value indicates the P-value of the observed solvation free energy gain