1QQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C44 | sing | 1.49Å | 1.48Å | |
| C42 | O43 | doub | 1.21Å | 1.26Å | |
| C44 | C46 | sing | 1.51Å | 1.47Å | |
| C44 | O45 | doub | 1.21Å | 1.22Å | |
| C46 | C48 | sing | 1.53Å | 1.54Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C47 | C49 | sing | 1.53Å | 1.52Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C42 | OXT | sing | 1.35Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C42 | O43 | 119.8° | 120.0° |
| C42 | C44 | C46 | 124.2° | 120.0° |
| C42 | C44 | O45 | 118.3° | 120.0° |
| C44 | C42 | OXT | 128.0° | 120.0° |
| O43 | C42 | OXT | 112.1° | 120.0° |
| C46 | C44 | O45 | 117.5° | 120.0° |
| C44 | C46 | C48 | 108.8° | 109.4° |
| C44 | C46 | C47 | 105.7° | 109.5° |
| C44 | C46 | H46 | 113.2° | 109.5° |
| C48 | C46 | C47 | 112.0° | 109.5° |
| C48 | C46 | H46 | 107.1° | 109.5° |
| C46 | C48 | H481 | 109.5° | 109.5° |
| C46 | C48 | H482 | 109.4° | 109.5° |
| C46 | C48 | H483 | 109.5° | 109.5° |
| C47 | C46 | H46 | 110.1° | 109.5° |
| C46 | C47 | C49 | 109.4° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.5° |
| C46 | C47 | H472 | 109.5° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H481 | C48 | H483 | 109.4° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| C49 | C47 | H471 | 109.5° | 109.4° |
| C49 | C47 | H472 | 109.5° | 109.5° |
| C47 | C49 | H491 | 109.5° | 109.4° |
| C47 | C49 | H492 | 109.5° | 109.5° |
| C47 | C49 | H493 | 109.4° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.5° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.5° |
| C42 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C42 | O43 | OXT | 180.0° | 179.7° |
| C42 | C44 | C46 | O45 | 179.3° | 180.0° |
| C42 | C44 | C46 | C48 | 129.5° | 90.0° |
| C42 | C44 | C46 | C47 | 110.1° | 150.0° |
| C42 | C44 | C46 | H46 | 10.5° | 30.0° |
| C44 | C42 | OXT | HXT | 180.0° | 180.0° |
| O43 | C42 | C44 | C46 | 0.4° | 0.0° |
| O43 | C42 | C44 | O45 | 178.9° | 179.9° |
| O43 | C42 | OXT | HXT | 0.0° | 0.3° |
| C44 | C46 | C48 | C47 | 116.5° | 120.0° |
| C44 | C46 | C48 | H46 | 122.7° | 120.0° |
| C44 | C46 | C47 | H46 | 122.6° | 120.0° |
| C44 | C46 | C48 | H481 | 180.0° | 60.0° |
| C44 | C46 | C48 | H482 | 60.0° | 180.0° |
| C44 | C46 | C48 | H483 | 60.0° | 60.0° |
| C44 | C46 | C47 | C49 | 179.3° | 175.0° |
| C44 | C46 | C47 | H471 | 59.3° | 65.0° |
| C44 | C46 | C47 | H472 | 60.7° | 55.0° |
| C46 | C44 | C42 | OXT | 179.6° | 179.7° |
| O45 | C44 | C46 | C48 | 49.8° | 90.0° |
| O45 | C44 | C46 | C47 | 70.6° | 30.0° |
| O45 | C44 | C46 | H46 | 168.8° | 150.0° |
| O45 | C44 | C42 | OXT | 1.1° | 0.3° |
| C48 | C46 | C47 | H46 | 119.0° | 120.0° |
| C46 | C48 | H481 | H482 | 120.0° | 120.0° |
| C46 | C48 | H481 | H483 | 120.0° | 120.0° |
| C46 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | C46 | C47 | C49 | 60.9° | 65.0° |
| C48 | C46 | C47 | H471 | 59.1° | 55.0° |
| C48 | C46 | C47 | H472 | 179.1° | 175.0° |
| C47 | C46 | C48 | H481 | 63.5° | 60.0° |
| C47 | C46 | C48 | H482 | 176.4° | 60.0° |
| C47 | C46 | C48 | H483 | 56.5° | 180.0° |
| C46 | C47 | C49 | H471 | 120.0° | 120.0° |
| C46 | C47 | C49 | H472 | 120.0° | 120.0° |
| C46 | C47 | H471 | H472 | 120.0° | 120.0° |
| C46 | C47 | C49 | H491 | 180.0° | 60.0° |
| C46 | C47 | C49 | H492 | 60.0° | 60.0° |
| C46 | C47 | C49 | H493 | 60.0° | 180.0° |
| H46 | C46 | C48 | H481 | 57.3° | 180.0° |
| H46 | C46 | C48 | H482 | 62.8° | 60.0° |
| H46 | C46 | C48 | H483 | 177.3° | 60.0° |
| H46 | C46 | C47 | C49 | 58.1° | 55.0° |
| H46 | C46 | C47 | H471 | 178.1° | 175.0° |
| H46 | C46 | C47 | H472 | 61.9° | 65.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| C49 | C47 | H471 | H472 | 120.0° | 120.1° |
| C47 | C49 | H491 | H492 | 120.0° | 120.0° |
| C47 | C49 | H491 | H493 | 120.0° | 119.9° |
| C47 | C49 | H492 | H493 | 120.0° | 120.0° |
| H471 | C47 | C49 | H491 | 60.0° | 180.0° |
| H471 | C47 | C49 | H492 | 180.0° | 60.0° |
| H471 | C47 | C49 | H493 | 60.0° | 60.0° |
| H472 | C47 | C49 | H491 | 60.0° | 59.9° |
| H472 | C47 | C49 | H492 | 60.0° | 180.0° |
| H472 | C47 | C49 | H493 | 180.0° | 60.0° |
| H491 | C49 | H492 | H493 | 120.0° | 120.0° |
