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Estimated contribution from solvent-solvent interactions to folding free energy (kcal/mol) of CLN025 mini-protein at its melting temperature. See Methods for details of the calculation.
| Free energy (kcal/mol) | TIP3P | TIP4P/Ew | GB |
|---|---|---|---|
| (based on the distribution in Table 1) | −2.2 ± 0.1 | −0.67 ± 0.3 | +2.0 ± 0.1 |
| −103.2 ± 1.2 | −108.2 ± 1.5 | −95 ± 0.1 |
