API
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.16Å | |
| C | OXT | sing | 1.34Å | 1.20Å | |
| CA | C3 | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.40Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.41Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C6 | N6 | sing | 1.47Å | 1.45Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.14Å | |
| C7 | O4 | sing | 1.34Å | 1.20Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N6 | HN61 | sing | 1.01Å | 1.00Å | |
| N6 | HN62 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 129.7° | 120.0° |
| CA | C | OXT | 111.0° | 120.0° |
| C | CA | C3 | 106.3° | 109.5° |
| C | CA | N | 107.6° | 109.4° |
| C | CA | HA | 113.7° | 109.4° |
| O | C | OXT | 119.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C3 | CA | N | 112.3° | 109.5° |
| C3 | CA | HA | 109.1° | 109.5° |
| CA | C3 | C4 | 131.4° | 109.5° |
| CA | C3 | H31 | 102.7° | 109.5° |
| CA | C3 | H32 | 102.7° | 109.4° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C4 | C3 | H31 | 102.7° | 109.5° |
| C4 | C3 | H32 | 102.7° | 109.4° |
| C3 | C4 | C5 | 123.6° | 109.5° |
| C3 | C4 | H41 | 105.0° | 109.5° |
| C3 | C4 | H42 | 105.0° | 109.5° |
| H31 | C3 | H32 | 115.3° | 109.5° |
| C5 | C4 | H41 | 105.0° | 109.5° |
| C5 | C4 | H42 | 105.0° | 109.5° |
| C4 | C5 | C6 | 129.6° | 109.5° |
| C4 | C5 | H51 | 103.2° | 109.4° |
| C4 | C5 | H52 | 103.2° | 109.5° |
| H41 | C4 | H42 | 113.5° | 109.4° |
| C6 | C5 | H51 | 103.2° | 109.5° |
| C6 | C5 | H52 | 103.2° | 109.5° |
| C5 | C6 | C7 | 108.9° | 109.5° |
| C5 | C6 | N6 | 105.2° | 109.5° |
| C5 | C6 | H6 | 111.8° | 109.5° |
| H51 | C5 | H52 | 115.0° | 109.5° |
| C7 | C6 | N6 | 107.1° | 109.5° |
| C7 | C6 | H6 | 110.1° | 109.5° |
| C6 | C7 | O3 | 125.8° | 120.0° |
| C6 | C7 | O4 | 116.0° | 120.0° |
| N6 | C6 | H6 | 113.5° | 109.4° |
| C6 | N6 | HN61 | 109.5° | 111.1° |
| C6 | N6 | HN62 | 109.5° | 111.0° |
| O3 | C7 | O4 | 118.2° | 120.0° |
| C7 | O4 | HO4 | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| HN61 | N6 | HN62 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 178.3° | 179.8° |
| C | CA | C3 | N | 117.4° | 120.0° |
| C | CA | C3 | HA | 123.0° | 120.0° |
| C | CA | N | HA | 123.1° | 120.0° |
| C | CA | C3 | C4 | 165.8° | 175.0° |
| C | CA | C3 | H31 | 74.3° | 65.0° |
| C | CA | C3 | H32 | 45.7° | 55.1° |
| CA | C | OXT | HXT | 178.6° | 180.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| O | C | CA | C3 | 34.7° | 99.9° |
| O | C | CA | N | 155.1° | 20.0° |
| O | C | CA | HA | 85.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| OXT | C | CA | C3 | 143.8° | 80.3° |
| OXT | C | CA | N | 23.3° | 159.8° |
| OXT | C | CA | HA | 96.1° | 39.8° |
| C3 | CA | N | HA | 120.3° | 120.1° |
| CA | C3 | C4 | H31 | 120.0° | 120.0° |
| CA | C3 | C4 | H32 | 120.0° | 119.9° |
| CA | C3 | H31 | H32 | 110.9° | 120.0° |
| CA | C3 | C4 | C5 | 172.5° | 180.0° |
| CA | C3 | C4 | H41 | 52.5° | 59.9° |
| CA | C3 | C4 | H42 | 67.5° | 60.0° |
| C3 | CA | N | H | 63.3° | 60.0° |
| C3 | CA | N | H2 | 176.7° | 64.0° |
| N | CA | C3 | C4 | 76.9° | 65.0° |
| N | CA | C3 | H31 | 43.1° | 55.0° |
| N | CA | C3 | H32 | 163.1° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HA | CA | C3 | C4 | 42.7° | 55.0° |
| HA | CA | C3 | H31 | 162.7° | 175.0° |
| HA | CA | C3 | H32 | 77.3° | 65.0° |
| HA | CA | N | H | 57.0° | 180.0° |
| HA | CA | N | H2 | 63.0° | 56.0° |
| C4 | C3 | H31 | H32 | 110.9° | 120.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.1° |
| C3 | C4 | C5 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H42 | 114.2° | 120.0° |
| C3 | C4 | C5 | C6 | 85.5° | 180.0° |
| C3 | C4 | C5 | H51 | 34.5° | 60.0° |
| C3 | C4 | C5 | H52 | 154.5° | 60.0° |
| H31 | C3 | C4 | C5 | 67.5° | 60.0° |
| H31 | C3 | C4 | H41 | 172.5° | 179.9° |
| H31 | C3 | C4 | H42 | 52.5° | 60.0° |
| H32 | C3 | C4 | C5 | 52.5° | 60.0° |
| H32 | C3 | C4 | H41 | 67.5° | 60.0° |
| H32 | C3 | C4 | H42 | 172.5° | 180.0° |
| C5 | C4 | H41 | H42 | 114.2° | 120.0° |
| C4 | C5 | C6 | H51 | 120.0° | 120.0° |
| C4 | C5 | C6 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 111.7° | 120.0° |
| C4 | C5 | C6 | C7 | 71.5° | 175.0° |
| C4 | C5 | C6 | N6 | 43.0° | 64.9° |
| C4 | C5 | C6 | H6 | 166.6° | 55.0° |
| H41 | C4 | C5 | C6 | 154.5° | 60.0° |
| H41 | C4 | C5 | H51 | 85.5° | 180.0° |
| H41 | C4 | C5 | H52 | 34.5° | 60.1° |
| H42 | C4 | C5 | C6 | 34.5° | 60.0° |
| H42 | C4 | C5 | H51 | 154.5° | 60.0° |
| H42 | C4 | C5 | H52 | 85.5° | 180.0° |
| C6 | C5 | H51 | H52 | 111.6° | 120.0° |
| C5 | C6 | C7 | N6 | 113.3° | 120.0° |
| C5 | C6 | C7 | H6 | 122.9° | 120.0° |
| C5 | C6 | N6 | H6 | 122.5° | 119.9° |
| C5 | C6 | C7 | O3 | 111.1° | 100.0° |
| C5 | C6 | C7 | O4 | 67.4° | 80.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 64.0° |
| C5 | C6 | N6 | HN62 | 60.0° | 60.1° |
| H51 | C5 | C6 | C7 | 48.5° | 65.0° |
| H51 | C5 | C6 | N6 | 163.0° | 55.0° |
| H51 | C5 | C6 | H6 | 73.4° | 175.0° |
| H52 | C5 | C6 | C7 | 168.5° | 55.0° |
| H52 | C5 | C6 | N6 | 77.0° | 175.0° |
| H52 | C5 | C6 | H6 | 46.6° | 65.1° |
| C7 | C6 | N6 | H6 | 121.7° | 120.0° |
| C6 | C7 | O3 | O4 | 178.5° | 180.0° |
| C6 | C7 | O4 | HO4 | 178.6° | 180.0° |
| C7 | C6 | N6 | HN61 | 64.3° | 176.0° |
| C7 | C6 | N6 | HN62 | 175.7° | 60.0° |
| N6 | C6 | C7 | O3 | 2.2° | 20.0° |
| N6 | C6 | C7 | O4 | 179.3° | 160.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 124.0° |
| H6 | C6 | C7 | O3 | 126.0° | 140.0° |
| H6 | C6 | C7 | O4 | 55.5° | 40.0° |
| H6 | C6 | N6 | HN61 | 57.5° | 56.0° |
| H6 | C6 | N6 | HN62 | 62.6° | 180.0° |
| O3 | C7 | O4 | HO4 | 0.0° | 0.0° |
