A1D8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | CB | sing | 1.53Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | C18 | sing | 1.53Å | 1.53Å | |
| CB | C17 | sing | 1.53Å | 1.54Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 1.01Å | 1.00Å | |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 24.28Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 122.7° | 120.0° |
| O | C | OXT | 7.3° | 120.0° |
| N3 | C16 | CB | 116.2° | 109.5° |
| N3 | C16 | H15 | 107.8° | 109.5° |
| N3 | C16 | H16 | 107.8° | 109.5° |
| C16 | N3 | H23 | 109.5° | 111.0° |
| C16 | N3 | H1 | 109.4° | 111.0° |
| C16 | CB | CA | 113.0° | 109.5° |
| C16 | CB | C18 | 108.3° | 109.5° |
| C16 | CB | C17 | 110.3° | 109.4° |
| CB | C16 | H15 | 107.7° | 109.4° |
| CB | C16 | H16 | 107.7° | 109.5° |
| C | CA | N | 107.7° | 109.5° |
| C | CA | CB | 115.6° | 109.5° |
| C | CA | HA | 106.4° | 109.5° |
| CA | C | OXT | 124.1° | 120.0° |
| N | CA | CB | 113.0° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 107.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | CB | C18 | 108.9° | 109.5° |
| CA | CB | C17 | 108.4° | 109.4° |
| CB | CA | HA | 106.3° | 109.4° |
| C18 | CB | C17 | 107.8° | 109.4° |
| CB | C18 | H20 | 109.5° | 109.5° |
| CB | C18 | H21 | 109.4° | 109.5° |
| CB | C18 | H22 | 109.5° | 109.5° |
| CB | C17 | H17 | 109.5° | 109.4° |
| CB | C17 | H18 | 109.5° | 109.5° |
| CB | C17 | H19 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 111.1° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.4° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | N3 | H1 | 109.5° | 111.0° |
| 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 | 8.6° | 179.9° |
| O | C | CA | N | 62.3° | 19.9° |
| O | C | CA | CB | 65.2° | 100.1° |
| O | C | CA | HA | 177.1° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| N3 | C16 | CB | H15 | 121.0° | 120.0° |
| N3 | C16 | CB | H16 | 121.0° | 120.1° |
| N3 | C16 | CB | CA | 83.6° | 180.0° |
| N3 | C16 | CB | C18 | 37.2° | 59.9° |
| N3 | C16 | CB | C17 | 154.9° | 60.0° |
| N3 | C16 | H15 | H16 | 117.0° | 120.0° |
| C16 | N3 | H23 | H1 | 120.0° | 124.0° |
| C16 | CB | CA | C | 67.0° | 180.0° |
| C16 | CB | CA | N | 57.8° | 59.9° |
| C16 | CB | CA | C18 | 120.4° | 120.1° |
| C16 | CB | CA | C17 | 122.6° | 120.0° |
| C16 | CB | C18 | C17 | 119.3° | 119.9° |
| C16 | CB | CA | HA | 175.2° | 60.0° |
| CB | C16 | H15 | H16 | 116.9° | 119.9° |
| C16 | CB | C17 | H17 | 180.0° | 180.0° |
| C16 | CB | C17 | H18 | 60.0° | 60.0° |
| C16 | CB | C17 | H19 | 60.0° | 60.0° |
| C16 | CB | C18 | H20 | 180.0° | 60.1° |
| C16 | CB | C18 | H21 | 60.0° | 59.9° |
| C16 | CB | C18 | H22 | 60.0° | 180.0° |
| CB | C16 | N3 | H23 | 180.0° | 56.0° |
| CB | C16 | N3 | H1 | 60.0° | 180.0° |
| C | CA | N | CB | 128.9° | 120.0° |
| C | CA | N | HA | 114.2° | 120.1° |
| C | CA | CB | HA | 117.8° | 120.0° |
| C | CA | CB | C18 | 53.4° | 60.0° |
| C | CA | CB | C17 | 170.5° | 60.0° |
| C | CA | N | H2 | 180.0° | 59.9° |
| C | CA | N | H | 60.0° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | CB | HA | 117.5° | 120.0° |
| N | CA | CB | C18 | 178.2° | 180.0° |
| N | CA | CB | C17 | 64.8° | 60.0° |
| CA | N | H2 | H | 120.0° | 124.1° |
| N | CA | C | OXT | 70.8° | 160.0° |
| CA | CB | C18 | C17 | 117.4° | 120.0° |
| CB | CA | N | H2 | 51.1° | 60.1° |
| CA | CB | C16 | H15 | 37.4° | 60.0° |
| CA | CB | C16 | H16 | 155.5° | 59.9° |
| CA | CB | C17 | H17 | 55.8° | 60.0° |
| CA | CB | C17 | H18 | 64.2° | 180.0° |
| CA | CB | C17 | H19 | 175.8° | 60.0° |
| CA | CB | C18 | H20 | 56.8° | 60.0° |
| CA | CB | C18 | H21 | 176.7° | 180.0° |
| CA | CB | C18 | H22 | 63.2° | 59.9° |
| CB | CA | N | H | 171.1° | 64.0° |
| CB | CA | C | OXT | 56.6° | 80.0° |
| C18 | CB | CA | HA | 64.4° | 60.0° |
| C18 | CB | C16 | H15 | 158.1° | 60.1° |
| C18 | CB | C16 | H16 | 83.8° | 180.0° |
| C18 | CB | C17 | H17 | 61.9° | 60.0° |
| C18 | CB | C17 | H18 | 178.1° | 60.0° |
| C18 | CB | C17 | H19 | 58.1° | 180.0° |
| CB | C18 | H20 | H21 | 119.9° | 120.0° |
| CB | C18 | H20 | H22 | 120.0° | 120.0° |
| CB | C18 | H21 | H22 | 120.0° | 120.1° |
| C17 | CB | CA | HA | 52.7° | 180.0° |
| C17 | CB | C16 | H15 | 84.1° | 180.0° |
| C17 | CB | C16 | H16 | 33.9° | 60.0° |
| CB | C17 | H17 | H18 | 120.0° | 120.0° |
| CB | C17 | H17 | H19 | 120.0° | 120.0° |
| CB | C17 | H18 | H19 | 120.0° | 120.0° |
| C17 | CB | C18 | H20 | 60.6° | 180.0° |
| C17 | CB | C18 | H21 | 59.3° | 60.0° |
| C17 | CB | C18 | H22 | 179.3° | 60.1° |
| H2 | N | CA | HA | 65.8° | 180.0° |
| HA | CA | N | H | 54.2° | 56.0° |
| HA | CA | C | OXT | 174.3° | 39.9° |
| H15 | C16 | N3 | H23 | 59.0° | 64.0° |
| H15 | C16 | N3 | H1 | 61.0° | 60.0° |
| H16 | C16 | N3 | H23 | 59.1° | 176.0° |
| H16 | C16 | N3 | H1 | 179.1° | 60.0° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 119.9° |
