Table 1 HBS between PPII helices in the different interfaces of the computational model at the M06-2X/6-31 + G(d) level of theory
From: Hydrogen bonding patterns and cooperativity in polyproline II helical bundles
HBS (kcal·mol−1) | Interface | Number of PPII Helices | |||
|---|---|---|---|---|---|
2 | 3 | 4 | 5 | ||
PPII helical bundle | ab | −46.92 | −51.62 | −52.33 | −52.40 |
bc | - | −52.73 | −58.82 | −59.61 | |
cd | - | - | −53.20 | −59.28 | |