TMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM4 | C4 | sing | 1.51Å | 1.52Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| N4' | C4' | sing | 1.39Å | 1.37Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | doub | 1.34Å | 1.47Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.27Å | Aromatic |
| C4' | N3' | doub | 1.33Å | 1.36Å | Aromatic |
| C4' | C5' | sing | 1.40Å | 1.51Å | Aromatic |
| O1A | PA | sing | 1.61Å | 1.47Å | |
| PA | O7 | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.58Å | |
| O1B | VB | sing | 1.84Å | 1.88Å | |
| N3' | C2' | sing | 1.32Å | 1.37Å | Aromatic |
| C7' | N3 | sing | 1.46Å | 1.46Å | |
| C7' | C5' | sing | 1.51Å | 1.53Å | |
| C5 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| N3 | C2 | doub | 1.29Å | 1.26Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| O3A | VB | sing | 1.84Å | 1.95Å | |
| C2' | CM2 | sing | 1.51Å | 1.50Å | |
| C2' | N1' | doub | 1.32Å | 1.36Å | Aromatic |
| O3B | VB | sing | 1.84Å | 1.71Å | |
| C2 | S1 | sing | 1.71Å | 1.69Å | Aromatic |
| VB | O4B | sing | 1.84Å | 2.14Å | |
| VB | O2B | sing | 1.84Å | 1.67Å | |
| C6' | N1' | sing | 1.33Å | 1.35Å | Aromatic |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| CM4 | H12 | sing | 1.09Å | 1.10Å | |
| CM4 | H13 | sing | 1.09Å | 1.10Å | |
| CM4 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C7' | H18 | sing | 1.09Å | 1.10Å | |
| C7' | H19 | sing | 1.09Å | 1.10Å | |
| N4' | H20 | sing | 0.97Å | 1.00Å | |
| N4' | H21 | sing | 0.97Å | 1.00Å | |
| CM2 | H22 | sing | 1.09Å | 1.10Å | |
| CM2 | H23 | sing | 1.09Å | 1.10Å | |
| CM2 | H24 | sing | 1.09Å | 1.10Å | |
| C6' | H25 | sing | 1.08Å | 1.08Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O4B | H4B | sing | 0.97Å | 0.95Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM4 | C4 | C5 | 126.9° | 122.7° |
| CM4 | C4 | N3 | 121.5° | 122.7° |
| C4 | CM4 | H12 | 109.5° | 109.5° |
| C4 | CM4 | H13 | 109.5° | 109.5° |
| C4 | CM4 | H14 | 109.4° | 109.5° |
| O2A | PA | O1A | 113.8° | 109.4° |
| O2A | PA | O7 | 106.7° | 109.5° |
| O2A | PA | O3A | 108.9° | 109.5° |
| N4' | C4' | N3' | 120.0° | 120.5° |
| N4' | C4' | C5' | 121.5° | 120.6° |
| C4' | N4' | H20 | 109.5° | 120.0° |
| C4' | N4' | H21 | 109.5° | 119.9° |
| C6 | C7 | O7 | 111.8° | 109.5° |
| C7 | C6 | C5 | 121.0° | 109.5° |
| C6 | C7 | H6 | 108.9° | 109.5° |
| C6 | C7 | H7 | 108.9° | 109.4° |
| C7 | C6 | H8 | 106.5° | 109.5° |
| C7 | C6 | H9 | 106.5° | 109.5° |
| C7 | O7 | PA | 114.5° | 123.0° |
| O7 | C7 | H6 | 108.9° | 109.5° |
| O7 | C7 | H7 | 108.9° | 109.5° |
| C6 | C5 | C4 | 119.9° | 126.1° |
| C6 | C5 | S1 | 115.0° | 126.0° |
| C5 | C6 | H8 | 106.5° | 109.4° |
| C5 | C6 | H9 | 106.5° | 109.5° |
| C5 | C4 | N3 | 111.5° | 114.5° |
| C4 | C5 | S1 | 105.9° | 107.9° |
| C4 | N3 | C7' | 123.5° | 121.4° |
| C4 | N3 | C2 | 114.8° | 117.1° |
| N3' | C4' | C5' | 118.5° | 118.9° |
| C4' | N3' | C2' | 120.3° | 120.8° |
| C4' | C5' | C7' | 122.3° | 120.8° |
| C4' | C5' | C6' | 117.6° | 118.4° |
| O1A | PA | O7 | 107.5° | 109.5° |
| O1A | PA | O3A | 115.9° | 109.5° |
| PA | O1A | H1 | 109.5° | 113.9° |
| O7 | PA | O3A | 103.1° | 109.5° |
| PA | O3A | VB | 137.7° | 114.0° |
| O1B | VB | O3A | 88.9° | 90.0° |
| O1B | VB | O3B | 123.1° | 120.1° |
| O1B | VB | O4B | 84.8° | 90.0° |
| O1B | VB | O2B | 121.1° | 120.0° |
| VB | O1B | H1B | 109.5° | 114.0° |
| N3' | C2' | CM2 | 120.3° | 119.1° |
| N3' | C2' | N1' | 122.0° | 121.8° |
| N3 | C7' | C5' | 117.0° | 109.5° |
| C7' | N3 | C2 | 121.7° | 121.5° |
| N3 | C7' | H18 | 107.6° | 109.5° |
| N3 | C7' | H19 | 107.6° | 109.5° |
| C7' | C5' | C6' | 120.1° | 120.8° |
| C5' | C7' | H18 | 107.6° | 109.4° |
| C5' | C7' | H19 | 107.5° | 109.5° |
| C5 | S1 | C2 | 88.1° | 90.3° |
| N3 | C2 | S1 | 116.1° | 110.2° |
| N3 | C2 | H16 | 122.0° | 124.9° |
| C5' | C6' | N1' | 119.9° | 119.2° |
| C5' | C6' | H25 | 120.1° | 120.4° |
| O3A | VB | O3B | 89.4° | 90.0° |
| O3A | VB | O4B | 172.0° | 180.0° |
| O3A | VB | O2B | 97.6° | 90.0° |
| CM2 | C2' | N1' | 117.7° | 119.1° |
| C2' | CM2 | H22 | 109.5° | 109.5° |
| C2' | CM2 | H23 | 109.5° | 109.5° |
| C2' | CM2 | H24 | 109.5° | 109.5° |
| C2' | N1' | C6' | 121.8° | 121.0° |
| O3B | VB | O4B | 89.8° | 90.0° |
| O3B | VB | O2B | 115.5° | 120.0° |
| VB | O3B | H3B | 109.5° | 114.0° |
| S1 | C2 | H16 | 121.9° | 124.9° |
| O4B | VB | O2B | 89.9° | 90.0° |
| VB | O4B | H4B | 109.5° | 113.9° |
| VB | O2B | H2B | 109.5° | 114.0° |
| N1' | C6' | H25 | 120.1° | 120.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H12 | CM4 | H13 | 109.5° | 109.5° |
| H12 | CM4 | H14 | 109.5° | 109.4° |
| H13 | CM4 | H14 | 109.4° | 109.5° |
| H18 | C7' | H19 | 109.5° | 109.5° |
| H20 | N4' | H21 | 109.5° | 120.1° |
| H22 | CM2 | H23 | 109.4° | 109.4° |
| H22 | CM2 | H24 | 109.5° | 109.5° |
| H23 | CM2 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM4 | C4 | C5 | C6 | 32.2° | 0.0° |
| CM4 | C4 | C5 | N3 | 176.2° | 179.9° |
| CM4 | C4 | N3 | C7' | 16.1° | 0.0° |
| CM4 | C4 | C5 | S1 | 164.4° | 179.8° |
| CM4 | C4 | N3 | C2 | 163.5° | 180.0° |
| C4 | CM4 | H12 | H13 | 120.1° | 120.1° |
| C4 | CM4 | H12 | H14 | 120.0° | 120.0° |
| C4 | CM4 | H13 | H14 | 120.0° | 120.0° |
| O2A | PA | O7 | C7 | 50.6° | 55.0° |
| O2A | PA | O1A | O7 | 117.9° | 120.0° |
| O2A | PA | O1A | O3A | 127.4° | 120.0° |
| O2A | PA | O7 | O3A | 114.7° | 120.0° |
| O2A | PA | O3A | VB | 3.5° | 60.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| N4' | C4' | N3' | C5' | 179.1° | 179.9° |
| N4' | C4' | N3' | C2' | 178.3° | 179.9° |
| N4' | C4' | C5' | C7' | 3.6° | 0.1° |
| N4' | C4' | C5' | C6' | 178.7° | 179.7° |
| C4' | N4' | H20 | H21 | 120.0° | 179.9° |
| C6 | C7 | O7 | H6 | 120.4° | 120.0° |
| C6 | C7 | O7 | H7 | 120.4° | 119.9° |
| C7 | C6 | C5 | H8 | 121.6° | 120.0° |
| C7 | C6 | C5 | H9 | 121.6° | 120.0° |
| C7 | C6 | C5 | C4 | 85.6° | 90.3° |
| C6 | C7 | O7 | PA | 177.8° | 180.0° |
| C7 | C6 | C5 | S1 | 42.6° | 90.0° |
| C6 | C7 | H6 | H7 | 118.9° | 120.0° |
| C7 | C6 | H8 | H9 | 114.8° | 120.0° |
| O7 | C7 | C6 | C5 | 76.4° | 179.9° |
| C7 | O7 | PA | O1A | 71.8° | 65.0° |
| C7 | O7 | PA | O3A | 165.3° | 175.0° |
| O7 | C7 | H6 | H7 | 118.9° | 120.0° |
| O7 | C7 | C6 | H8 | 45.2° | 60.0° |
| O7 | C7 | C6 | H9 | 162.0° | 60.0° |
| C6 | C5 | C4 | S1 | 132.3° | 179.8° |
| C6 | C5 | C4 | N3 | 151.7° | 180.0° |
| C6 | C5 | S1 | C2 | 145.8° | 179.9° |
| C5 | C6 | C7 | H6 | 44.0° | 60.0° |
| C5 | C6 | C7 | H7 | 163.3° | 60.0° |
| C5 | C6 | H8 | H9 | 114.8° | 120.0° |
| C5 | C4 | N3 | C7' | 160.3° | 180.0° |
| C5 | C4 | N3 | C2 | 20.1° | 0.0° |
| C4 | C5 | S1 | C2 | 10.9° | 0.3° |
| C4 | C5 | C6 | H8 | 152.8° | 29.7° |
| C4 | C5 | C6 | H9 | 36.0° | 149.7° |
| C5 | C4 | CM4 | H12 | 92.3° | 90.0° |
| C5 | C4 | CM4 | H13 | 147.7° | 150.0° |
| C5 | C4 | CM4 | H14 | 27.7° | 30.0° |
| C4 | N3 | C7' | C2 | 179.6° | 180.0° |
| C4 | N3 | C7' | C5' | 76.3° | 85.0° |
| N3 | C4 | C5 | S1 | 19.4° | 0.3° |
| C4 | N3 | C2 | S1 | 11.3° | 0.2° |
| N3 | C4 | CM4 | H12 | 91.9° | 90.1° |
| N3 | C4 | CM4 | H13 | 28.1° | 29.9° |
| N3 | C4 | CM4 | H14 | 148.1° | 150.0° |
| C4 | N3 | C2 | H16 | 168.7° | 180.0° |
| C4 | N3 | C7' | H18 | 44.8° | 155.1° |
| C4 | N3 | C7' | H19 | 162.7° | 35.0° |
| N3' | C4' | C5' | C7' | 177.3° | 180.0° |
| N3' | C4' | C5' | C6' | 0.4° | 0.2° |
| C4' | N3' | C2' | CM2 | 178.8° | 180.0° |
| C4' | N3' | C2' | N1' | 0.2° | 0.0° |
| N3' | C4' | N4' | H20 | 0.0° | 0.1° |
| N3' | C4' | N4' | H21 | 120.0° | 180.0° |
| C5' | C4' | N3' | C2' | 0.8° | 0.0° |
| C4' | C5' | C7' | N3 | 148.3° | 85.2° |
| C4' | C5' | C7' | C6' | 177.7° | 179.8° |
| C4' | C5' | C6' | N1' | 0.5° | 0.5° |
| C4' | C5' | C7' | H18 | 27.2° | 34.8° |
| C4' | C5' | C7' | H19 | 90.6° | 154.7° |
| C5' | C4' | N4' | H20 | 179.1° | 180.0° |
| C5' | C4' | N4' | H21 | 59.1° | 0.1° |
| C4' | C5' | C6' | H25 | 179.5° | 179.7° |
| O1A | PA | O7 | O3A | 122.9° | 120.0° |
| O1A | PA | O3A | VB | 133.3° | 60.0° |
| O7 | PA | O3A | VB | 109.5° | 180.0° |
| O7 | PA | O1A | H1 | 117.9° | 60.0° |
| PA | O7 | C7 | H6 | 61.8° | 60.0° |
| PA | O7 | C7 | H7 | 57.5° | 60.1° |
| PA | O3A | VB | O1B | 28.1° | 60.0° |
| PA | O3A | VB | O3B | 95.0° | 180.0° |
| PA | O3A | VB | O4B | 10.6° | 20.6° |
| PA | O3A | VB | O2B | 149.3° | 60.0° |
| O3A | PA | O1A | H1 | 127.4° | 60.0° |
| O1B | VB | O3A | O3B | 123.2° | 120.1° |
| O1B | VB | O3A | O4B | 38.7° | 80.5° |
| O1B | VB | O3A | O2B | 121.2° | 120.0° |
| O1B | VB | O3B | O4B | 83.7° | 90.0° |
| O1B | VB | O3B | O2B | 173.5° | 180.0° |
| O1B | VB | O4B | O2B | 121.2° | 120.0° |
| O1B | VB | O2B | H2B | 180.0° | 180.0° |
| O1B | VB | O4B | H4B | 180.0° | 60.0° |
| O1B | VB | O3B | H3B | 180.0° | 90.0° |
| N3' | C2' | CM2 | N1' | 179.1° | 180.0° |
| N3' | C2' | N1' | C6' | 0.7° | 0.2° |
| N3' | C2' | CM2 | H22 | 0.0° | 90.0° |
| N3' | C2' | CM2 | H23 | 120.0° | 150.0° |
| N3' | C2' | CM2 | H24 | 120.0° | 30.0° |
| N3 | C7' | C5' | H18 | 121.1° | 120.0° |
| N3 | C7' | C5' | H19 | 121.1° | 120.1° |
| N3 | C7' | C5' | C6' | 34.0° | 95.0° |
| C7' | N3 | C2 | S1 | 169.1° | 179.8° |
| C7' | N3 | C2 | H16 | 10.9° | 0.0° |
| N3 | C7' | H18 | H19 | 116.6° | 120.1° |
| C5' | C7' | N3 | C2 | 104.1° | 95.0° |
| C7' | C5' | C6' | N1' | 178.3° | 179.7° |
| C5' | C7' | H18 | H19 | 116.6° | 120.0° |
| C7' | C5' | C6' | H25 | 1.7° | 0.1° |
| C5 | S1 | C2 | N3 | 1.1° | 0.3° |
| S1 | C5 | C6 | H8 | 79.0° | 150.0° |
| S1 | C5 | C6 | H9 | 164.3° | 30.0° |
| C5 | S1 | C2 | H16 | 178.9° | 179.9° |
| N3 | C2 | S1 | H16 | 180.0° | 179.7° |
| C2 | N3 | C7' | H18 | 134.8° | 24.9° |
| C2 | N3 | C7' | H19 | 16.9° | 145.0° |
| C5' | C6' | N1' | C2' | 1.1° | 0.5° |
| C5' | C6' | N1' | H25 | 180.0° | 179.8° |
| C6' | C5' | C7' | H18 | 155.1° | 145.1° |
| C6' | C5' | C7' | H19 | 87.1° | 25.1° |
| O3A | VB | O3B | O4B | 172.0° | 180.0° |
| O3A | VB | O3B | O2B | 98.2° | 90.0° |
| O3A | VB | O4B | O2B | 160.1° | 39.4° |
| O3A | VB | O2B | H2B | 86.6° | 90.0° |
| O3A | VB | O1B | H1B | 26.5° | 90.0° |
| O3A | VB | O4B | H4B | 141.2° | 140.6° |
| O3A | VB | O3B | H3B | 91.6° | 180.0° |
| CM2 | C2' | N1' | C6' | 179.8° | 179.7° |
| C2' | CM2 | H22 | H23 | 120.0° | 120.0° |
| C2' | CM2 | H22 | H24 | 120.0° | 120.1° |
| C2' | CM2 | H23 | H24 | 120.0° | 120.1° |
| N1' | C2' | CM2 | H22 | 179.1° | 89.9° |
| N1' | C2' | CM2 | H23 | 61.0° | 30.0° |
| N1' | C2' | CM2 | H24 | 59.0° | 150.0° |
| C2' | N1' | C6' | H25 | 178.9° | 179.7° |
| O3B | VB | O4B | O2B | 115.5° | 120.0° |
| O3B | VB | O2B | H2B | 6.4° | 0.0° |
| O3B | VB | O1B | H1B | 62.2° | 0.0° |
| O3B | VB | O4B | H4B | 56.7° | 60.0° |
| O4B | VB | O2B | H2B | 96.1° | 90.0° |
| O4B | VB | O1B | H1B | 148.5° | 90.0° |
| O4B | VB | O3B | H3B | 96.3° | 0.1° |
| O2B | VB | O1B | H1B | 124.7° | 180.0° |
| O2B | VB | O4B | H4B | 58.7° | 180.0° |
| O2B | VB | O3B | H3B | 6.6° | 90.0° |
| H6 | C7 | C6 | H8 | 165.6° | 180.0° |
| H6 | C7 | C6 | H9 | 77.6° | 60.1° |
| H7 | C7 | C6 | H8 | 75.1° | 60.0° |
| H7 | C7 | C6 | H9 | 41.7° | 179.9° |
| H12 | CM4 | H13 | H14 | 119.9° | 119.9° |
| H22 | CM2 | H23 | H24 | 120.0° | 120.0° |
