Table 5. PNA torsion angles per residue of LPD duplex.
| Monomer | α | β | γ | δ | ε | ω | χ1 | χ2 | χ3 |
|---|---|---|---|---|---|---|---|---|---|
| Gpn1 | -47.6 | -65.0 | 111.4 | -30.1 | 176.7 | -0.1 | 175.8 | -106.3 | |
| Tpn2 | 66.9 | 81.4 | 59.2 | 94.4 | -20.7 | 176.3 | 0.2 | -179.6 | -93.4 |
| Apn3 | 76.6 | 72.8 | 67.8 | 88.1 | 174.5 | -177.0 | 10.2 | -177.4 | -97.8 |
| Gpn4 | -98.9 | 58.6 | 72.4 | 83.2 | -171.4 | -176.9 | 0.9 | -170.4 | -85.3 |
| Adl5 | -130.6 | 74.1 | 70.3 | 86.7 | -170.3 | -178.1 | 16.5 | -180.0 | -98.8 |
| Tdl6 | -132.4 | 79.6 | 68.1 | 90.3 | -179.9 | -177.5 | 1.4 | 178.6 | -95.0 |
| Cdl7 | -115.9 | 71.5 | 69.0 | 87.4 | 178.7 | -177.8 | 1.9 | 180.0 | -87.3 |
| Apn8 | -100.5 | 60.8 | 67.5 | 100.2 | 158.8 | -176.6 | 0.9 | -175.9 | -83.6 |
| Cpn9 | -107.9 | 82.7 | 64.7 | 90.0 | 179.5 | -179.3 | 0.7 | -178.2 | -90.3 |
| Tpn10 | -98.0 | 59.8 | 64.6 | 91.2 | 153.8 | 0.6 | -178.2 | -75.7 | |
| Watson-Crick PNA triplex* (10) | -103 | 73 | 70 | 93 | 165 | 1 | -175 | 89 | |
| PNA-DNA* (9) | 105 | 141 | 78 | 139 | 35 | -3 | 151 | -103 | |
| PNA-PNA* (11) | -118 (83)† | 64 | 75 | 88 | 171 (21)† | 7 | -175 | 83 |
Scheme for torsion angle definitions: α = C′-N1′-C2′-C3′; β = N1′-C2′-C3′-N4′; γ = C2′-C3′-N4′-C5′; δ = C3′-N4′-C5′-C′; ε = N4′-C5′-C′-O1′; ω = C5′-C′-N-C2′; χ1 = C3′-N4′-C7′-C8′; χ2 = N4′-C7′-C8′-N1/N8; and χ3 = C6′-C7′-N1/N8-C2/C4.
*
Average torsion angles.
†
Two alternative values of α and ε angles are found, corresponding to different orientations of the backbone amide bond.