0XO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | CBA | sing | 1.53Å | 1.53Å | |
| CA | CAZ | sing | 1.53Å | 1.53Å | |
| CAZ | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N02 | C02 | sing | 1.47Å | 1.46Å | |
| C02 | C3 | sing | 1.53Å | 1.54Å | |
| CAZ | H7 | sing | 1.09Å | 1.10Å | |
| CAZ | H8 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CBA | H14 | sing | 1.09Å | 1.10Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H41 | sing | 1.09Å | 1.10Å | |
| C02 | H42 | sing | 1.09Å | 1.10Å | |
| N02 | H43 | sing | 1.01Å | 1.00Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 24.83Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N02 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 61.8° | 120.0° |
| C | CA | N | 111.0° | 109.5° |
| C | CA | CBA | 106.4° | 109.5° |
| C | CA | CAZ | 109.4° | 109.5° |
| CA | C | OXT | 97.2° | 120.0° |
| N | CA | CBA | 111.4° | 109.5° |
| N | CA | CAZ | 106.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CBA | CA | CAZ | 112.3° | 109.5° |
| CA | CBA | H14 | 109.5° | 109.4° |
| CA | CBA | H15 | 109.5° | 109.5° |
| CA | CBA | H16 | 109.5° | 109.5° |
| CA | CAZ | C4 | 116.3° | 109.5° |
| CA | CAZ | H7 | 107.8° | 109.4° |
| CA | CAZ | H8 | 107.7° | 109.5° |
| CAZ | C4 | C3 | 110.8° | 109.4° |
| C4 | CAZ | H7 | 107.7° | 109.5° |
| C4 | CAZ | H8 | 107.7° | 109.5° |
| CAZ | C4 | H46 | 109.2° | 109.5° |
| CAZ | C4 | H47 | 109.1° | 109.4° |
| C4 | C3 | C02 | 114.8° | 109.4° |
| C4 | C3 | H44 | 108.1° | 109.5° |
| C4 | C3 | H45 | 108.1° | 109.5° |
| C3 | C4 | H46 | 109.1° | 109.5° |
| C3 | C4 | H47 | 109.2° | 109.5° |
| N02 | C02 | C3 | 115.6° | 109.5° |
| N02 | C02 | H41 | 107.9° | 109.5° |
| N02 | C02 | H42 | 107.9° | 109.4° |
| C02 | N02 | H43 | 109.5° | 111.0° |
| C02 | N02 | H1 | 109.5° | 111.0° |
| C3 | C02 | H41 | 107.9° | 109.5° |
| C3 | C02 | H42 | 107.9° | 109.4° |
| C02 | C3 | H44 | 108.1° | 109.5° |
| C02 | C3 | H45 | 108.1° | 109.5° |
| H7 | CAZ | H8 | 109.4° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H14 | CBA | H15 | 109.4° | 109.4° |
| H14 | CBA | H16 | 109.5° | 109.5° |
| H15 | CBA | H16 | 109.4° | 109.5° |
| H41 | C02 | H42 | 109.5° | 109.5° |
| H43 | N02 | H1 | 109.4° | 111.1° |
| H44 | C3 | H45 | 109.5° | 109.5° |
| H46 | C4 | H47 | 109.4° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 61.5° | 180.0° |
| O | C | CA | N | 136.1° | 145.0° |
| O | C | CA | CBA | 102.5° | 95.0° |
| O | C | CA | CAZ | 19.1° | 25.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | CBA | 118.4° | 120.0° |
| C | CA | N | CAZ | 118.9° | 120.0° |
| C | CA | CBA | CAZ | 119.7° | 120.1° |
| C | CA | CAZ | C4 | 70.1° | 180.0° |
| C | CA | CAZ | H7 | 50.9° | 60.0° |
| C | CA | CAZ | H8 | 168.9° | 59.9° |
| C | CA | N | H | 180.0° | 176.1° |
| C | CA | CBA | H14 | 180.0° | 180.0° |
| C | CA | CBA | H15 | 60.0° | 60.0° |
| C | CA | CBA | H16 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| N | CA | CBA | CAZ | 119.2° | 120.0° |
| N | CA | CAZ | C4 | 170.0° | 60.0° |
| N | CA | CAZ | H7 | 69.0° | 180.0° |
| N | CA | CAZ | H8 | 49.0° | 60.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CBA | H14 | 58.9° | 60.0° |
| N | CA | CBA | H15 | 61.1° | 60.0° |
| N | CA | CBA | H16 | 178.9° | 180.0° |
| N | CA | C | OXT | 162.4° | 35.0° |
| CBA | CA | CAZ | C4 | 47.8° | 60.0° |
| CBA | CA | CAZ | H7 | 168.8° | 60.0° |
| CBA | CA | CAZ | H8 | 73.2° | 180.0° |
| CBA | CA | N | H | 61.6° | 56.1° |
| CA | CBA | H14 | H15 | 120.0° | 119.9° |
| CA | CBA | H14 | H16 | 120.0° | 120.0° |
| CA | CBA | H15 | H16 | 120.0° | 120.0° |
| CBA | CA | C | OXT | 41.0° | 85.0° |
| CBA | CA | N | H2 | 178.4° | 180.0° |
| CA | CAZ | C4 | H7 | 121.0° | 120.0° |
| CA | CAZ | C4 | H8 | 121.0° | 120.0° |
| CA | CAZ | C4 | C3 | 164.2° | 180.0° |
| CA | CAZ | H7 | H8 | 116.9° | 120.0° |
| CAZ | CA | N | H | 61.1° | 63.9° |
| CAZ | CA | CBA | H14 | 60.3° | 60.0° |
| CAZ | CA | CBA | H15 | 179.7° | 179.9° |
| CAZ | CA | CBA | H16 | 59.7° | 60.0° |
| CA | CAZ | C4 | H46 | 75.6° | 60.0° |
| CA | CAZ | C4 | H47 | 44.0° | 60.0° |
| CAZ | CA | C | OXT | 80.6° | 155.0° |
| CAZ | CA | N | H2 | 58.9° | 60.0° |
| CAZ | C4 | C3 | H46 | 120.2° | 120.0° |
| CAZ | C4 | C3 | H47 | 120.2° | 120.0° |
| CAZ | C4 | C3 | C02 | 8.0° | 180.0° |
| C4 | CAZ | H7 | H8 | 116.9° | 120.0° |
| CAZ | C4 | C3 | H44 | 112.7° | 60.0° |
| CAZ | C4 | C3 | H45 | 128.8° | 60.0° |
| CAZ | C4 | H46 | H47 | 119.4° | 120.0° |
| C4 | C3 | C02 | N02 | 77.0° | 180.0° |
| C4 | C3 | C02 | H44 | 120.8° | 120.0° |
| C4 | C3 | C02 | H45 | 120.8° | 120.0° |
| C3 | C4 | CAZ | H7 | 43.2° | 60.0° |
| C3 | C4 | CAZ | H8 | 74.8° | 60.0° |
| C4 | C3 | C02 | H41 | 162.1° | 60.0° |
| C4 | C3 | C02 | H42 | 43.9° | 60.1° |
| C4 | C3 | H44 | H45 | 117.6° | 120.0° |
| C3 | C4 | H46 | H47 | 119.4° | 120.1° |
| N02 | C02 | C3 | H41 | 120.9° | 120.0° |
| N02 | C02 | C3 | H42 | 120.9° | 119.9° |
| N02 | C02 | H41 | H42 | 117.2° | 120.0° |
| C02 | N02 | H43 | H1 | 120.0° | 123.9° |
| N02 | C02 | C3 | H44 | 162.3° | 60.0° |
| N02 | C02 | C3 | H45 | 43.8° | 60.0° |
| C3 | C02 | H41 | H42 | 117.2° | 120.0° |
| C3 | C02 | N02 | H43 | 180.0° | 56.0° |
| C02 | C3 | H44 | H45 | 117.6° | 120.0° |
| C02 | C3 | C4 | H46 | 128.3° | 60.0° |
| C02 | C3 | C4 | H47 | 112.2° | 60.0° |
| C3 | C02 | N02 | H1 | 60.0° | 180.0° |
| H7 | CAZ | C4 | H46 | 163.4° | 180.0° |
| H7 | CAZ | C4 | H47 | 77.0° | 60.0° |
| H8 | CAZ | C4 | H46 | 45.4° | 60.0° |
| H8 | CAZ | C4 | H47 | 165.0° | 180.0° |
| H14 | CBA | H15 | H16 | 120.0° | 120.0° |
| H41 | C02 | N02 | H43 | 59.1° | 176.1° |
| H41 | C02 | C3 | H44 | 41.4° | 180.0° |
| H41 | C02 | C3 | H45 | 77.1° | 60.0° |
| H41 | C02 | N02 | H1 | 60.9° | 60.0° |
| H42 | C02 | N02 | H43 | 59.1° | 63.9° |
| H42 | C02 | C3 | H44 | 76.9° | 59.9° |
| H42 | C02 | C3 | H45 | 164.7° | 180.0° |
| H42 | C02 | N02 | H1 | 179.1° | 60.1° |
| H44 | C3 | C4 | H46 | 7.5° | 60.0° |
| H44 | C3 | C4 | H47 | 127.0° | 180.0° |
| H45 | C3 | C4 | H46 | 110.9° | 180.0° |
| H45 | C3 | C4 | H47 | 8.6° | 59.9° |
