S8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.49Å | |
| C3' | C4' | sing | 1.55Å | 1.67Å | |
| C3' | C2' | sing | 1.55Å | 1.22Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.45Å | 1.27Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| C2' | C1' | sing | 1.54Å | 1.57Å | |
| O4' | C1' | sing | 1.44Å | 1.51Å | |
| OP1 | P | doub | 1.48Å | 1.49Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| C1' | N11 | sing | 1.46Å | 1.33Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| O14 | C13 | doub | 1.21Å | 1.17Å | |
| N11 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.52Å | |
| C17 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.36Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| O3' | H12 | sing | 0.97Å | 0.95Å | |
| OP2 | H14 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 110.5° | 110.9° |
| O3' | C3' | C2' | 107.7° | 111.0° |
| O3' | C3' | H8 | 110.0° | 110.9° |
| C3' | O3' | H12 | 109.5° | 113.9° |
| C4' | C3' | C2' | 106.0° | 102.1° |
| C3' | C4' | C5' | 109.8° | 110.6° |
| C3' | C4' | O4' | 107.8° | 103.6° |
| C4' | C3' | H8 | 107.8° | 110.9° |
| C3' | C4' | H9 | 107.2° | 110.6° |
| C3' | C2' | C1' | 103.2° | 104.2° |
| C3' | C2' | H6 | 111.0° | 110.5° |
| C3' | C2' | H7 | 111.0° | 110.6° |
| C2' | C3' | H8 | 114.7° | 110.8° |
| C5' | C4' | O4' | 110.1° | 110.6° |
| C4' | C5' | O5' | 109.5° | 109.4° |
| C5' | C4' | H9 | 109.0° | 110.6° |
| C4' | C5' | H10 | 109.5° | 109.5° |
| C4' | C5' | H11 | 109.4° | 109.5° |
| C4' | O4' | C1' | 105.4° | 106.9° |
| O4' | C4' | H9 | 112.8° | 110.7° |
| C5' | O5' | P | 118.8° | 123.0° |
| O5' | C5' | H10 | 109.5° | 109.4° |
| O5' | C5' | H11 | 109.5° | 109.4° |
| C2' | C1' | O4' | 103.5° | 107.4° |
| C2' | C1' | N11 | 110.0° | 109.9° |
| C2' | C1' | H2 | 109.1° | 109.9° |
| C1' | C2' | H6 | 111.0° | 110.5° |
| C1' | C2' | H7 | 111.0° | 110.4° |
| O4' | C1' | N11 | 111.6° | 109.8° |
| O4' | C1' | H2 | 109.8° | 109.9° |
| OP1 | P | O5' | 111.8° | 109.5° |
| OP1 | P | OP2 | 110.6° | 109.5° |
| OP1 | P | OP3 | 109.2° | 109.5° |
| O5' | P | OP2 | 111.0° | 109.5° |
| O5' | P | OP3 | 104.4° | 109.4° |
| C1' | N11 | C17 | 125.7° | 125.7° |
| C1' | N11 | C12 | 126.1° | 125.6° |
| N11 | C1' | H2 | 112.6° | 109.9° |
| P | OP2 | H14 | 109.5° | 114.0° |
| OP2 | P | OP3 | 109.5° | 109.5° |
| O14 | C13 | C12 | 120.8° | 120.0° |
| O14 | C13 | H1 | 119.6° | 120.0° |
| C17 | N11 | C12 | 108.2° | 108.7° |
| N11 | C17 | C16 | 108.0° | 109.1° |
| N11 | C17 | H5 | 126.0° | 125.4° |
| N11 | C12 | C13 | 126.5° | 126.3° |
| N11 | C12 | C15 | 107.8° | 107.4° |
| C13 | C12 | C15 | 125.7° | 126.3° |
| C12 | C13 | H1 | 119.6° | 120.0° |
| C17 | C16 | C15 | 107.9° | 107.9° |
| C17 | C16 | H4 | 126.1° | 126.1° |
| C16 | C17 | H5 | 126.0° | 125.5° |
| C12 | C15 | C16 | 108.1° | 106.9° |
| C12 | C15 | H3 | 125.9° | 126.5° |
| C16 | C15 | H3 | 126.0° | 126.5° |
| C15 | C16 | H4 | 126.0° | 126.0° |
| H6 | C2' | H7 | 109.5° | 110.4° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| P | OP3 | H13 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | C2' | 116.5° | 118.3° |
| O3' | C3' | C4' | H8 | 120.3° | 123.7° |
| O3' | C3' | C2' | H8 | 122.8° | 123.7° |
| O3' | C3' | C4' | C5' | 141.3° | 86.2° |
| O3' | C3' | C4' | O4' | 98.7° | 155.2° |
| O3' | C3' | C2' | C1' | 85.9° | 139.1° |
| O3' | C3' | C2' | H6 | 155.1° | 20.4° |
| O3' | C3' | C2' | H7 | 33.1° | 102.2° |
| O3' | C3' | C4' | H9 | 23.0° | 36.6° |
| C4' | C3' | C2' | H8 | 118.8° | 118.1° |
| C3' | C4' | C5' | O4' | 118.6° | 114.2° |
| C3' | C4' | C5' | H9 | 117.1° | 122.9° |
| C3' | C4' | O4' | H9 | 118.1° | 118.6° |
| C3' | C4' | C5' | O5' | 97.0° | 175.0° |
| C4' | C3' | C2' | C1' | 32.5° | 20.9° |
| C3' | C4' | O4' | C1' | 8.3° | 39.9° |
| C4' | C3' | C2' | H6 | 86.5° | 97.8° |
| C4' | C3' | C2' | H7 | 151.5° | 139.6° |
| C3' | C4' | C5' | H10 | 142.9° | 55.0° |
| C3' | C4' | C5' | H11 | 23.0° | 65.0° |
| C4' | C3' | O3' | H12 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 102.3° | 155.5° |
| C2' | C3' | C4' | O4' | 17.8° | 36.9° |
| C3' | C2' | C1' | H6 | 119.0° | 118.7° |
| C3' | C2' | C1' | H7 | 119.0° | 118.8° |
| C3' | C2' | C1' | O4' | 38.7° | 1.9° |
| C3' | C2' | C1' | N11 | 158.0° | 121.4° |
| C3' | C2' | C1' | H2 | 78.1° | 117.5° |
| C3' | C2' | H6 | H7 | 122.9° | 122.7° |
| C2' | C3' | C4' | H9 | 139.4° | 81.7° |
| C2' | C3' | O3' | H12 | 64.6° | 67.3° |
| C5' | C4' | O4' | H9 | 122.1° | 122.9° |
| C4' | C5' | O5' | H10 | 120.0° | 120.0° |
| C4' | C5' | O5' | H11 | 120.0° | 120.0° |
| C5' | C4' | O4' | C1' | 128.1° | 158.4° |
| C4' | C5' | O5' | P | 118.5° | 180.0° |
| C5' | C4' | C3' | H8 | 21.0° | 37.4° |
| C4' | C5' | H10 | H11 | 120.0° | 120.1° |
| O4' | C4' | C5' | O5' | 21.6° | 70.8° |
| C4' | O4' | C1' | C2' | 26.4° | 26.3° |
| C4' | O4' | C1' | N11 | 144.6° | 145.8° |
| C4' | O4' | C1' | H2 | 89.9° | 93.2° |
| O4' | C4' | C3' | H8 | 141.0° | 81.1° |
| O4' | C4' | C5' | H10 | 98.5° | 169.2° |
| O4' | C4' | C5' | H11 | 141.6° | 49.2° |
| C5' | O5' | P | OP1 | 63.2° | 55.0° |
| C5' | O5' | P | OP2 | 172.7° | 65.0° |
| O5' | C5' | C4' | H9 | 145.8° | 52.1° |
| O5' | C5' | H10 | H11 | 120.0° | 119.9° |
| C5' | O5' | P | OP3 | 54.7° | 175.0° |
| C2' | C1' | O4' | N11 | 118.2° | 119.5° |
| C2' | C1' | O4' | H2 | 116.3° | 119.5° |
| C2' | C1' | N11 | H2 | 121.8° | 121.1° |
| C2' | C1' | N11 | C17 | 54.2° | 94.7° |
| C2' | C1' | N11 | C12 | 125.3° | 84.9° |
| C1' | C2' | H6 | H7 | 122.9° | 122.4° |
| C1' | C2' | C3' | H8 | 151.3° | 97.2° |
| O4' | C1' | N11 | H2 | 124.0° | 121.0° |
| O4' | C1' | N11 | C17 | 60.0° | 23.3° |
| O4' | C1' | N11 | C12 | 120.4° | 157.1° |
| O4' | C1' | C2' | H6 | 80.3° | 120.7° |
| O4' | C1' | C2' | H7 | 157.7° | 116.9° |
| C1' | O4' | C4' | H9 | 109.8° | 78.7° |
| OP1 | P | O5' | OP2 | 124.1° | 120.0° |
| OP1 | P | O5' | OP3 | 117.9° | 120.0° |
| OP1 | P | OP2 | OP3 | 120.4° | 120.0° |
| OP1 | P | OP2 | H14 | 0.0° | 180.0° |
| OP1 | P | OP3 | H13 | 0.0° | 60.0° |
| O5' | P | OP2 | OP3 | 114.8° | 120.0° |
| P | O5' | C5' | H10 | 121.4° | 60.0° |
| P | O5' | C5' | H11 | 1.4° | 60.0° |
| O5' | P | OP2 | H14 | 124.8° | 59.9° |
| O5' | P | OP3 | H13 | 119.7° | 180.0° |
| C1' | N11 | C17 | C12 | 179.6° | 179.6° |
| C1' | N11 | C12 | C13 | 0.3° | 0.3° |
| C1' | N11 | C17 | C16 | 179.7° | 180.0° |
| C1' | N11 | C12 | C15 | 179.6° | 180.0° |
| C1' | N11 | C17 | H5 | 0.3° | 0.2° |
| N11 | C1' | C2' | H6 | 39.0° | 119.8° |
| N11 | C1' | C2' | H7 | 83.0° | 2.6° |
| OP2 | P | OP3 | H13 | 121.3° | 60.0° |
| O14 | C13 | C12 | N11 | 61.9° | 0.2° |
| O14 | C13 | C12 | H1 | 180.0° | 179.9° |
| O14 | C13 | C12 | C15 | 118.1° | 180.0° |
| C17 | N11 | C12 | C13 | 179.9° | 179.9° |
| N11 | C17 | C16 | H5 | 180.0° | 179.8° |
| C17 | N11 | C12 | C15 | 0.0° | 0.3° |
| N11 | C17 | C16 | C15 | 0.1° | 0.2° |
| C17 | N11 | C1' | H2 | 176.0° | 144.3° |
| N11 | C17 | C16 | H4 | 179.9° | 179.8° |
| N11 | C12 | C13 | C15 | 179.9° | 179.7° |
| C12 | N11 | C17 | C16 | 0.1° | 0.3° |
| N11 | C12 | C15 | C16 | 0.1° | 0.2° |
| N11 | C12 | C13 | H1 | 118.1° | 179.7° |
| C12 | N11 | C1' | H2 | 3.5° | 36.2° |
| N11 | C12 | C15 | H3 | 179.9° | 179.8° |
| C12 | N11 | C17 | H5 | 179.9° | 179.8° |
| C13 | C12 | C15 | C16 | 180.0° | 180.0° |
| C13 | C12 | C15 | H3 | 0.0° | 0.0° |
| C17 | C16 | C15 | C12 | 0.1° | 0.0° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 179.9° | 180.0° |
| C12 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C12 | C13 | H1 | 61.9° | 0.0° |
| C12 | C15 | C16 | H4 | 179.9° | 180.0° |
| C15 | C16 | C17 | H5 | 179.9° | 180.0° |
| H2 | C1' | C2' | H6 | 162.9° | 1.2° |
| H2 | C1' | C2' | H7 | 40.9° | 123.6° |
| H3 | C15 | C16 | H4 | 0.1° | 0.0° |
| H4 | C16 | C17 | H5 | 0.1° | 0.1° |
| H6 | C2' | C3' | H8 | 32.3° | 144.0° |
| H7 | C2' | C3' | H8 | 89.7° | 21.5° |
| H8 | C3' | C4' | H9 | 97.3° | 160.3° |
| H8 | C3' | O3' | H12 | 61.1° | 56.4° |
| H9 | C4' | C5' | H10 | 25.8° | 67.8° |
| H9 | C4' | C5' | H11 | 94.2° | 172.1° |
| H14 | OP2 | P | OP3 | 120.4° | 60.0° |
