TVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | CA | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.33Å | 1.39Å | Aromatic |
| C20 | S2 | sing | 1.76Å | 1.72Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C24 | doub | 1.33Å | 1.40Å | Aromatic |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C25 | sing | 1.53Å | 1.52Å | |
| S2 | C24 | sing | 1.76Å | 1.73Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| C26 | N5 | sing | 1.47Å | 1.43Å | |
| N5 | C27 | sing | 1.47Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| O6 | H36 | sing | 0.97Å | 0.95Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| N5 | H39 | sing | 1.01Å | 1.00Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C19 | C20 | 109.5° | 109.5° |
| C19 | CA | N | 109.5° | 109.5° |
| C19 | CA | C25 | 111.0° | 109.4° |
| CA | C19 | H28 | 109.5° | 109.5° |
| CA | C19 | H29 | 109.5° | 109.4° |
| C19 | CA | HA | 108.7° | 109.4° |
| C19 | C20 | C21 | 134.5° | 125.2° |
| C19 | C20 | S2 | 116.5° | 125.2° |
| C20 | C19 | H28 | 109.5° | 109.4° |
| C20 | C19 | H29 | 109.5° | 109.4° |
| C21 | C20 | S2 | 109.1° | 109.6° |
| C20 | C21 | C22 | 112.9° | 114.9° |
| C20 | C21 | H30 | 123.5° | 122.5° |
| C20 | S2 | C24 | 95.3° | 91.0° |
| C21 | C22 | C24 | 115.9° | 115.0° |
| C22 | C21 | H30 | 123.6° | 122.6° |
| C21 | C22 | H31 | 122.0° | 122.5° |
| C22 | C24 | S2 | 106.9° | 109.6° |
| C24 | C22 | H31 | 122.1° | 122.5° |
| C22 | C24 | H34 | 126.6° | 125.2° |
| N | CA | C25 | 109.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C25 | C26 | 111.1° | 109.5° |
| CA | C25 | O6 | 109.5° | 109.5° |
| C25 | CA | HA | 108.7° | 109.5° |
| CA | C25 | H35 | 108.6° | 109.5° |
| S2 | C24 | H34 | 126.6° | 125.2° |
| C26 | C25 | O6 | 109.4° | 109.4° |
| C25 | C26 | N5 | 142.2° | 109.5° |
| C26 | C25 | H35 | 108.5° | 109.5° |
| C25 | C26 | H37 | 100.8° | 109.4° |
| C25 | C26 | H38 | 100.8° | 109.5° |
| O6 | C25 | H35 | 109.7° | 109.4° |
| C25 | O6 | H36 | 109.5° | 114.0° |
| C26 | N5 | C27 | 149.7° | 111.0° |
| N5 | C26 | H37 | 100.8° | 109.5° |
| N5 | C26 | H38 | 100.8° | 109.5° |
| C26 | N5 | H39 | 98.7° | 111.0° |
| N5 | C27 | C28 | 109.4° | 109.5° |
| N5 | C27 | C | 109.6° | 109.5° |
| C27 | N5 | H39 | 98.7° | 111.0° |
| N5 | C27 | H41 | 110.0° | 109.5° |
| C28 | C27 | C | 109.5° | 109.5° |
| C27 | C28 | C29 | 111.0° | 109.4° |
| C28 | C27 | H41 | 109.0° | 109.5° |
| C27 | C28 | H42 | 109.1° | 109.5° |
| C27 | C28 | H43 | 109.1° | 109.5° |
| C27 | C | O | 118.5° | 120.0° |
| C27 | C | OXT | 118.5° | 120.0° |
| C | C27 | H41 | 109.3° | 109.5° |
| C28 | C29 | C30 | 111.1° | 109.4° |
| C29 | C28 | H42 | 109.1° | 109.5° |
| C29 | C28 | H43 | 109.1° | 109.5° |
| C28 | C29 | H44 | 109.0° | 109.5° |
| C28 | C29 | H45 | 109.1° | 109.5° |
| C30 | C29 | H44 | 109.1° | 109.5° |
| C30 | C29 | H45 | 109.0° | 109.4° |
| C29 | C30 | H46 | 109.5° | 109.4° |
| C29 | C30 | H47 | 109.4° | 109.5° |
| C29 | C30 | H48 | 109.4° | 109.5° |
| O | C | OXT | 123.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H37 | C26 | H38 | 109.4° | 109.5° |
| H42 | C28 | H43 | 109.5° | 109.5° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H46 | C30 | H47 | 109.5° | 109.5° |
| H46 | C30 | H48 | 109.5° | 109.5° |
| H47 | C30 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C19 | C20 | H28 | 120.0° | 120.1° |
| CA | C19 | C20 | H29 | 120.0° | 119.9° |
| CA | C19 | C20 | C21 | 36.8° | 90.0° |
| CA | C19 | C20 | S2 | 143.3° | 90.3° |
| C19 | CA | N | C25 | 122.0° | 120.0° |
| C19 | CA | N | HA | 119.0° | 120.0° |
| C19 | CA | C25 | HA | 119.6° | 119.9° |
| C19 | CA | C25 | C26 | 153.6° | 180.0° |
| C19 | CA | C25 | O6 | 32.7° | 60.0° |
| CA | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | CA | N | H | 180.0° | 60.0° |
| C19 | CA | C25 | H35 | 87.1° | 60.0° |
| C19 | CA | N | H2 | 60.0° | 64.0° |
| C19 | C20 | C21 | S2 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 180.0° | 180.0° |
| C20 | C19 | CA | N | 46.5° | 65.0° |
| C20 | C19 | CA | C25 | 167.5° | 175.0° |
| C19 | C20 | S2 | C24 | 180.0° | 179.9° |
| C20 | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | C20 | C21 | H30 | 0.0° | 0.0° |
| C20 | C19 | CA | HA | 73.0° | 55.0° |
| C20 | C21 | C22 | H30 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 0.0° | 0.0° |
| C21 | C20 | S2 | C24 | 0.1° | 0.3° |
| C21 | C20 | C19 | H28 | 83.2° | 150.0° |
| C21 | C20 | C19 | H29 | 156.8° | 30.0° |
| C20 | C21 | C22 | H31 | 180.0° | 180.0° |
| S2 | C20 | C21 | C22 | 0.0° | 0.3° |
| C20 | S2 | C24 | C22 | 0.1° | 0.4° |
| S2 | C20 | C19 | H28 | 96.8° | 29.7° |
| S2 | C20 | C19 | H29 | 23.2° | 149.7° |
| S2 | C20 | C21 | H30 | 180.0° | 179.7° |
| C20 | S2 | C24 | H34 | 180.0° | 179.9° |
| C21 | C22 | C24 | H31 | 180.0° | 180.0° |
| C21 | C22 | C24 | S2 | 0.0° | 0.3° |
| C21 | C22 | C24 | H34 | 180.0° | 179.9° |
| C22 | C24 | S2 | H34 | 180.0° | 179.8° |
| C24 | C22 | C21 | H30 | 180.0° | 180.0° |
| N | CA | C25 | HA | 119.4° | 120.1° |
| N | CA | C25 | C26 | 85.3° | 60.0° |
| N | CA | C25 | O6 | 153.7° | 180.0° |
| N | CA | C19 | H28 | 73.5° | 175.0° |
| N | CA | C19 | H29 | 166.5° | 54.9° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C25 | H35 | 33.9° | 60.0° |
| CA | C25 | C26 | O6 | 121.0° | 120.0° |
| CA | C25 | C26 | H35 | 119.3° | 120.0° |
| CA | C25 | O6 | H35 | 119.1° | 120.0° |
| CA | C25 | C26 | N5 | 126.8° | 175.0° |
| C25 | CA | C19 | H28 | 47.5° | 55.0° |
| C25 | CA | C19 | H29 | 72.5° | 65.1° |
| C25 | CA | N | H | 58.0° | 60.0° |
| CA | C25 | O6 | H36 | 180.0° | 60.0° |
| CA | C25 | C26 | H37 | 109.4° | 55.0° |
| CA | C25 | C26 | H38 | 3.0° | 65.0° |
| C25 | CA | N | H2 | 62.0° | 176.1° |
| S2 | C24 | C22 | H31 | 180.0° | 179.8° |
| C26 | C25 | O6 | H35 | 119.0° | 120.0° |
| C25 | C26 | N5 | H37 | 123.8° | 120.0° |
| C25 | C26 | N5 | H38 | 123.8° | 120.0° |
| C25 | C26 | N5 | C27 | 125.9° | 180.0° |
| C26 | C25 | CA | HA | 34.1° | 60.0° |
| C26 | C25 | O6 | H36 | 58.0° | 60.0° |
| C25 | C26 | H37 | H38 | 105.6° | 120.0° |
| C25 | C26 | N5 | H39 | 109.8° | 56.0° |
| O6 | C25 | C26 | N5 | 5.8° | 65.0° |
| O6 | C25 | CA | HA | 86.9° | 60.0° |
| O6 | C25 | C26 | H37 | 129.6° | 175.0° |
| O6 | C25 | C26 | H38 | 118.0° | 55.0° |
| C26 | N5 | C27 | H39 | 124.3° | 124.0° |
| C26 | N5 | C27 | C28 | 158.8° | 155.0° |
| C26 | N5 | C27 | C | 38.7° | 85.0° |
| N5 | C26 | C25 | H35 | 113.9° | 55.0° |
| N5 | C26 | H37 | H38 | 105.6° | 120.0° |
| C26 | N5 | C27 | H41 | 81.4° | 35.0° |
| N5 | C27 | C28 | C | 120.1° | 120.0° |
| N5 | C27 | C28 | H41 | 120.3° | 120.0° |
| N5 | C27 | C | H41 | 120.6° | 120.0° |
| N5 | C27 | C28 | C29 | 54.4° | 65.0° |
| N5 | C27 | C | O | 110.9° | 0.0° |
| N5 | C27 | C | OXT | 69.1° | 180.0° |
| C27 | N5 | C26 | H37 | 2.1° | 60.0° |
| C27 | N5 | C26 | H38 | 110.3° | 60.0° |
| N5 | C27 | C28 | H42 | 65.8° | 55.0° |
| N5 | C27 | C28 | H43 | 174.6° | 175.0° |
| C28 | C27 | C | H41 | 119.4° | 120.0° |
| C27 | C28 | C29 | H42 | 120.2° | 120.0° |
| C27 | C28 | C29 | H43 | 120.2° | 120.0° |
| C27 | C28 | C29 | C30 | 125.7° | 180.0° |
| C28 | C27 | C | O | 129.1° | 120.0° |
| C28 | C27 | C | OXT | 50.9° | 60.1° |
| C28 | C27 | N5 | H39 | 76.9° | 31.0° |
| C27 | C28 | H42 | H43 | 119.3° | 120.0° |
| C27 | C28 | C29 | H44 | 114.1° | 60.0° |
| C27 | C28 | C29 | H45 | 5.5° | 60.1° |
| C | C27 | C28 | C29 | 174.5° | 175.0° |
| C27 | C | O | OXT | 180.0° | 179.9° |
| C | C27 | N5 | H39 | 163.0° | 151.0° |
| C | C27 | C28 | H42 | 54.3° | 65.0° |
| C | C27 | C28 | H43 | 65.3° | 55.0° |
| C27 | C | OXT | HXT | 180.0° | 180.0° |
| C28 | C29 | C30 | H44 | 120.2° | 120.0° |
| C28 | C29 | C30 | H45 | 120.2° | 120.0° |
| C29 | C28 | C27 | H41 | 65.9° | 55.0° |
| C29 | C28 | H42 | H43 | 119.3° | 120.0° |
| C28 | C29 | H44 | H45 | 119.3° | 120.1° |
| C28 | C29 | C30 | H46 | 180.0° | 180.0° |
| C28 | C29 | C30 | H47 | 60.0° | 60.0° |
| C28 | C29 | C30 | H48 | 60.0° | 60.0° |
| C30 | C29 | C28 | H42 | 5.5° | 60.0° |
| C30 | C29 | C28 | H43 | 114.1° | 60.0° |
| C30 | C29 | H44 | H45 | 119.3° | 119.9° |
| C29 | C30 | H46 | H47 | 120.0° | 120.0° |
| C29 | C30 | H46 | H48 | 120.0° | 120.0° |
| C29 | C30 | H47 | H48 | 119.9° | 120.0° |
| O | C | C27 | H41 | 9.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | C27 | H41 | 170.3° | 60.0° |
| H28 | C19 | CA | HA | 167.1° | 65.0° |
| H29 | C19 | CA | HA | 47.1° | 175.0° |
| H30 | C21 | C22 | H31 | 0.0° | 0.0° |
| H31 | C22 | C24 | H34 | 0.0° | 0.0° |
| H | N | CA | HA | 61.0° | 180.0° |
| HA | CA | C25 | H35 | 153.3° | 180.0° |
| HA | CA | N | H2 | 179.0° | 56.0° |
| H35 | C25 | O6 | H36 | 61.0° | 180.0° |
| H35 | C25 | C26 | H37 | 9.9° | 65.0° |
| H35 | C25 | C26 | H38 | 122.3° | 175.0° |
| H37 | C26 | N5 | H39 | 126.4° | 176.0° |
| H38 | C26 | N5 | H39 | 14.0° | 64.0° |
| H39 | N5 | C27 | H41 | 42.9° | 89.0° |
| H41 | C27 | C28 | H42 | 173.8° | 175.0° |
| H41 | C27 | C28 | H43 | 54.3° | 65.0° |
| H42 | C28 | C29 | H44 | 125.7° | 180.0° |
| H42 | C28 | C29 | H45 | 114.8° | 60.0° |
| H43 | C28 | C29 | H44 | 6.1° | 60.0° |
| H43 | C28 | C29 | H45 | 125.7° | 179.9° |
| H44 | C29 | C30 | H46 | 59.8° | 60.0° |
| H44 | C29 | C30 | H47 | 179.8° | 180.0° |
| H44 | C29 | C30 | H48 | 60.2° | 60.0° |
| H45 | C29 | C30 | H46 | 59.8° | 60.0° |
| H45 | C29 | C30 | H47 | 60.3° | 60.0° |
| H45 | C29 | C30 | H48 | 179.8° | 180.0° |
| H46 | C30 | H47 | H48 | 120.0° | 120.0° |
