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Colour schemes used for colouring the implicit solvation average structures
| Sequence | Colour | Criterion |
|---|---|---|
| AA | Red | >2 non-canonical hydrogen bonds |
| AA | Blue | <2 non-canonical hydrogen bonds; <0 kcal/mol non-canonical stacking energy |
| AT | Red | >2 non-canonical hydrogen bonds |
| AT | Blue | <2 non-canonical hydrogen bonds |
| CC | Green | Loss of ≥1 canonical hydrogen bonds |
| CG | Yellow | Loss of 2 canonical hydrogen bonds, gain of 1 non-canonical hydrogen bonds, change in non-canonical stacking energy of ∼20 kcal/mol |
