Obsolete: A9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.45Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C1 | O2 | doub | 1.21Å | 1.21Å | |
| C1 | C3 | sing | 1.51Å | 1.54Å | |
| C1 | OG | sing | 1.34Å | 1.27Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | N7 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | N7 | sing | 1.47Å | 1.48Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N7 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O9 | doub | 1.21Å | 1.21Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | OG | sing | 1.45Å | 1.44Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| C10 | N14 | sing | 1.47Å | 1.50Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.55Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N14 | C15 | sing | 1.35Å | 1.37Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | O17 | sing | 1.35Å | 1.43Å | |
| O17 | H20 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.9° | 120.0° |
| O | C | OXT | 120.5° | 120.0° |
| CA | C | OXT | 120.5° | 120.0° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | CB | 111.1° | 109.5° |
| C | CA | HA | 108.6° | 109.4° |
| C | OXT | HXT | 109.5° | 117.1° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 110.8° | 109.5° |
| N | CA | HA | 109.0° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| O2 | C1 | C3 | 121.6° | 120.0° |
| O2 | C1 | OG | 126.9° | 120.0° |
| C3 | C1 | OG | 111.5° | 120.0° |
| C1 | C3 | C4 | 110.1° | 109.9° |
| C1 | C3 | N7 | 112.8° | 109.9° |
| C1 | C3 | H3 | 105.4° | 109.9° |
| C1 | OG | CB | 115.4° | 117.0° |
| C4 | C3 | N7 | 104.9° | 107.2° |
| C4 | C3 | H3 | 113.3° | 109.9° |
| C3 | C4 | C5 | 102.7° | 103.0° |
| C3 | C4 | H4 | 111.8° | 110.7° |
| C3 | C4 | H4A | 111.8° | 110.7° |
| N7 | C3 | H3 | 110.5° | 110.0° |
| C3 | N7 | C6 | 108.2° | 108.7° |
| C3 | N7 | C8 | 126.0° | 125.6° |
| C5 | C4 | H4 | 111.8° | 110.8° |
| C5 | C4 | H4A | 111.8° | 110.7° |
| C4 | C5 | C6 | 102.5° | 101.6° |
| C4 | C5 | H5 | 111.8° | 111.0° |
| C4 | C5 | H5A | 111.9° | 111.1° |
| H4 | C4 | H4A | 107.0° | 110.8° |
| C6 | C5 | H5 | 111.8° | 111.0° |
| C6 | C5 | H5A | 111.9° | 111.0° |
| C5 | C6 | N7 | 107.8° | 104.9° |
| C5 | C6 | H6 | 110.0° | 110.3° |
| C5 | C6 | H6A | 110.1° | 110.4° |
| H5 | C5 | H5A | 107.0° | 110.9° |
| N7 | C6 | H6 | 110.1° | 110.4° |
| N7 | C6 | H6A | 110.0° | 110.4° |
| C6 | N7 | C8 | 125.8° | 125.7° |
| H6 | C6 | H6A | 108.9° | 110.4° |
| N7 | C8 | O9 | 119.6° | 120.1° |
| N7 | C8 | C10 | 121.4° | 120.0° |
| O9 | C8 | C10 | 119.0° | 120.0° |
| C8 | C10 | C11 | 108.9° | 109.9° |
| C8 | C10 | N14 | 112.9° | 109.9° |
| C8 | C10 | H10 | 106.6° | 109.9° |
| CB | CA | HA | 107.5° | 109.4° |
| CA | CB | OG | 113.5° | 109.5° |
| CA | CB | HB | 108.1° | 109.5° |
| CA | CB | HBA | 108.2° | 109.5° |
| OG | CB | HB | 108.2° | 109.5° |
| OG | CB | HBA | 108.1° | 109.4° |
| HB | CB | HBA | 110.8° | 109.5° |
| C11 | C10 | N14 | 106.5° | 107.3° |
| C11 | C10 | H10 | 113.0° | 109.9° |
| C10 | C11 | C12 | 103.4° | 103.0° |
| C10 | C11 | H11 | 111.5° | 110.7° |
| C10 | C11 | H11A | 111.6° | 110.7° |
| N14 | C10 | H10 | 109.1° | 110.0° |
| C10 | N14 | C13 | 107.6° | 108.7° |
| C10 | N14 | C15 | 127.0° | 125.7° |
| C12 | C11 | H11 | 111.5° | 110.7° |
| C12 | C11 | H11A | 111.5° | 110.7° |
| C11 | C12 | C13 | 101.1° | 101.6° |
| C11 | C12 | H12 | 112.4° | 111.0° |
| C11 | C12 | H12A | 112.4° | 111.0° |
| H11 | C11 | H11A | 107.3° | 110.8° |
| C13 | C12 | H12 | 112.4° | 111.0° |
| C13 | C12 | H12A | 112.4° | 111.0° |
| C12 | C13 | N14 | 105.5° | 104.8° |
| C12 | C13 | H13 | 110.8° | 110.4° |
| C12 | C13 | H13A | 110.8° | 110.4° |
| H12 | C12 | H12A | 106.4° | 110.9° |
| N14 | C13 | H13 | 110.8° | 110.4° |
| N14 | C13 | H13A | 110.8° | 110.3° |
| C13 | N14 | C15 | 125.4° | 125.7° |
| H13 | C13 | H13A | 108.1° | 110.4° |
| N14 | C15 | O16 | 120.1° | 120.0° |
| N14 | C15 | O17 | 120.1° | 120.0° |
| O16 | C15 | O17 | 119.8° | 120.0° |
| C15 | O17 | H20 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.8° |
| O | C | CA | N | 68.5° | 20.0° |
| O | C | CA | CB | 168.6° | 100.0° |
| O | C | CA | HA | 50.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 123.1° | 120.0° |
| C | CA | N | HA | 118.8° | 120.0° |
| C | CA | N | HN | 180.0° | 60.0° |
| C | CA | N | HNA | 60.0° | 176.0° |
| C | CA | CB | HA | 118.7° | 119.9° |
| C | CA | CB | OG | 77.2° | 175.0° |
| C | CA | CB | HB | 162.7° | 65.0° |
| C | CA | CB | HBA | 42.7° | 55.0° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| OXT | C | CA | N | 111.4° | 160.3° |
| OXT | C | CA | CB | 11.4° | 79.7° |
| OXT | C | CA | HA | 129.5° | 40.2° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | HA | 119.0° | 120.0° |
| N | CA | CB | OG | 160.5° | 65.0° |
| N | CA | CB | HB | 40.5° | 55.0° |
| N | CA | CB | HBA | 79.5° | 175.0° |
| HN | N | CA | CB | 56.9° | 60.0° |
| HN | N | CA | HA | 61.2° | 180.0° |
| HNA | N | CA | CB | 176.9° | 64.0° |
| HNA | N | CA | HA | 58.8° | 56.0° |
| O2 | C1 | C3 | OG | 178.5° | 180.0° |
| O2 | C1 | C3 | C4 | 105.8° | 118.5° |
| O2 | C1 | C3 | N7 | 10.9° | 0.8° |
| O2 | C1 | C3 | H3 | 131.7° | 120.4° |
| O2 | C1 | OG | CB | 5.0° | 0.0° |
| C1 | C3 | C4 | N7 | 121.6° | 119.4° |
| C1 | C3 | C4 | H3 | 117.8° | 121.0° |
| C1 | C3 | N7 | H3 | 117.8° | 121.1° |
| C1 | C3 | C4 | C5 | 85.7° | 141.6° |
| C1 | C3 | C4 | H4 | 34.3° | 23.2° |
| C1 | C3 | C4 | H4A | 154.3° | 100.0° |
| C1 | C3 | N7 | C6 | 97.1° | 118.4° |
| C1 | C3 | N7 | C8 | 83.1° | 61.7° |
| C3 | C1 | OG | CB | 173.4° | 180.0° |
| OG | C1 | C3 | C4 | 72.7° | 61.5° |
| OG | C1 | C3 | N7 | 170.5° | 179.3° |
| OG | C1 | C3 | H3 | 49.8° | 59.6° |
| C1 | OG | CB | CA | 124.8° | 180.0° |
| C1 | OG | CB | HB | 115.2° | 60.0° |
| C1 | OG | CB | HBA | 4.8° | 60.0° |
| C4 | C3 | N7 | H3 | 122.4° | 119.5° |
| C3 | C4 | C5 | H4 | 120.0° | 118.4° |
| C3 | C4 | C5 | H4A | 120.0° | 118.3° |
| C3 | C4 | H4 | H4A | 122.7° | 123.2° |
| C3 | C4 | C5 | C6 | 35.0° | 35.5° |
| C3 | C4 | C5 | H5 | 84.9° | 153.6° |
| C3 | C4 | C5 | H5A | 155.0° | 82.6° |
| C4 | C3 | N7 | C6 | 22.7° | 1.0° |
| C4 | C3 | N7 | C8 | 157.2° | 178.9° |
| N7 | C3 | C4 | C5 | 35.9° | 22.2° |
| N7 | C3 | C4 | H4 | 155.9° | 96.2° |
| N7 | C3 | C4 | H4A | 84.1° | 140.6° |
| C3 | N7 | C6 | C5 | 0.1° | 24.1° |
| C3 | N7 | C6 | C8 | 179.9° | 179.9° |
| C3 | N7 | C6 | H6 | 120.0° | 94.7° |
| C3 | N7 | C6 | H6A | 120.1° | 143.0° |
| C3 | N7 | C8 | O9 | 0.6° | 0.0° |
| C3 | N7 | C8 | C10 | 179.1° | 180.0° |
| H3 | C3 | C4 | C5 | 156.6° | 97.3° |
| H3 | C3 | C4 | H4 | 83.4° | 144.3° |
| H3 | C3 | C4 | H4A | 36.5° | 21.0° |
| H3 | C3 | N7 | C6 | 145.2° | 120.5° |
| H3 | C3 | N7 | C8 | 34.7° | 59.4° |
| C5 | C4 | H4 | H4A | 122.8° | 123.2° |
| C4 | C5 | C6 | H5 | 120.0° | 118.0° |
| C4 | C5 | C6 | H5A | 120.0° | 118.1° |
| C4 | C5 | H5 | H5A | 122.8° | 124.0° |
| C4 | C5 | C6 | N7 | 22.1° | 37.0° |
| C4 | C5 | C6 | H6 | 142.1° | 81.8° |
| C4 | C5 | C6 | H6A | 97.9° | 155.9° |
| H4 | C4 | C5 | C6 | 155.0° | 82.9° |
| H4 | C4 | C5 | H5 | 35.0° | 35.2° |
| H4 | C4 | C5 | H5A | 85.0° | 159.0° |
| H4A | C4 | C5 | C6 | 85.0° | 153.9° |
| H4A | C4 | C5 | H5 | 155.1° | 88.1° |
| H4A | C4 | C5 | H5A | 35.0° | 35.8° |
| C6 | C5 | H5 | H5A | 122.8° | 123.9° |
| C5 | C6 | N7 | H6 | 120.0° | 118.8° |
| C5 | C6 | N7 | H6A | 120.0° | 118.9° |
| C5 | C6 | H6 | H6A | 120.7° | 122.2° |
| C5 | C6 | N7 | C8 | 179.8° | 155.8° |
| H5 | C5 | C6 | N7 | 97.9° | 155.1° |
| H5 | C5 | C6 | H6 | 22.1° | 36.2° |
| H5 | C5 | C6 | H6A | 142.1° | 86.1° |
| H5A | C5 | C6 | N7 | 142.1° | 81.1° |
| H5A | C5 | C6 | H6 | 97.9° | 160.0° |
| H5A | C5 | C6 | H6A | 22.1° | 37.8° |
| N7 | C6 | H6 | H6A | 120.7° | 122.3° |
| C6 | N7 | C8 | O9 | 179.3° | 180.0° |
| C6 | N7 | C8 | C10 | 1.1° | 0.1° |
| H6 | C6 | N7 | C8 | 60.2° | 85.4° |
| H6A | C6 | N7 | C8 | 59.8° | 37.0° |
| N7 | C8 | O9 | C10 | 179.6° | 180.0° |
| N7 | C8 | C10 | C11 | 87.3° | 80.0° |
| N7 | C8 | C10 | N14 | 154.6° | 162.2° |
| N7 | C8 | C10 | H10 | 34.9° | 41.1° |
| O9 | C8 | C10 | C11 | 92.3° | 100.0° |
| O9 | C8 | C10 | N14 | 25.7° | 17.8° |
| O9 | C8 | C10 | H10 | 145.5° | 139.0° |
| C8 | C10 | C11 | N14 | 122.0° | 119.4° |
| C8 | C10 | C11 | H10 | 118.3° | 121.0° |
| C8 | C10 | N14 | H10 | 118.3° | 121.1° |
| C8 | C10 | C11 | C12 | 97.9° | 141.6° |
| C8 | C10 | C11 | H11 | 22.1° | 23.2° |
| C8 | C10 | C11 | H11A | 142.1° | 100.0° |
| C8 | C10 | N14 | C13 | 119.4° | 118.4° |
| C8 | C10 | N14 | C15 | 61.1° | 61.7° |
| CA | CB | OG | HB | 120.0° | 120.0° |
| CA | CB | OG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.4° | 120.0° |
| HA | CA | CB | OG | 41.5° | 55.0° |
| HA | CA | CB | HB | 78.5° | 175.0° |
| HA | CA | CB | HBA | 161.5° | 64.9° |
| OG | CB | HB | HBA | 118.4° | 120.0° |
| C11 | C10 | N14 | H10 | 122.2° | 119.5° |
| C10 | C11 | C12 | H11 | 120.0° | 118.4° |
| C10 | C11 | C12 | H11A | 120.0° | 118.4° |
| C10 | C11 | H11 | H11A | 122.5° | 123.3° |
| C10 | C11 | C12 | C13 | 37.4° | 35.5° |
| C10 | C11 | C12 | H12 | 82.6° | 153.6° |
| C10 | C11 | C12 | H12A | 157.4° | 82.6° |
| C11 | C10 | N14 | C13 | 0.1° | 1.1° |
| C11 | C10 | N14 | C15 | 179.4° | 178.9° |
| N14 | C10 | C11 | C12 | 24.1° | 22.2° |
| N14 | C10 | C11 | H11 | 144.1° | 96.2° |
| N14 | C10 | C11 | H11A | 95.9° | 140.5° |
| C10 | N14 | C13 | C12 | 24.1° | 24.2° |
| C10 | N14 | C13 | C15 | 179.6° | 180.0° |
| C10 | N14 | C13 | H13 | 144.1° | 94.7° |
| C10 | N14 | C13 | H13A | 95.9° | 143.0° |
| C10 | N14 | C15 | O16 | 0.1° | 0.0° |
| C10 | N14 | C15 | O17 | 179.7° | 180.0° |
| H10 | C10 | C11 | C12 | 143.8° | 97.4° |
| H10 | C10 | C11 | H11 | 96.2° | 144.3° |
| H10 | C10 | C11 | H11A | 23.8° | 21.0° |
| H10 | C10 | N14 | C13 | 122.4° | 120.5° |
| H10 | C10 | N14 | C15 | 57.2° | 59.4° |
| C12 | C11 | H11 | H11A | 122.4° | 123.2° |
| C11 | C12 | C13 | H12 | 120.0° | 118.1° |
| C11 | C12 | C13 | H12A | 120.0° | 118.1° |
| C11 | C12 | H12 | H12A | 123.4° | 123.9° |
| C11 | C12 | C13 | N14 | 38.3° | 37.0° |
| C11 | C12 | C13 | H13 | 158.3° | 81.8° |
| C11 | C12 | C13 | H13A | 81.7° | 155.8° |
| H11 | C11 | C12 | C13 | 157.4° | 82.9° |
| H11 | C11 | C12 | H12 | 37.4° | 35.2° |
| H11 | C11 | C12 | H12A | 82.5° | 159.0° |
| H11A | C11 | C12 | C13 | 82.6° | 153.9° |
| H11A | C11 | C12 | H12 | 157.4° | 88.1° |
| H11A | C11 | C12 | H12A | 37.4° | 35.8° |
| C13 | C12 | H12 | H12A | 123.4° | 123.9° |
| C12 | C13 | N14 | H13 | 120.0° | 118.9° |
| C12 | C13 | N14 | H13A | 120.0° | 118.8° |
| C12 | C13 | H13 | H13A | 121.6° | 122.3° |
| C12 | C13 | N14 | C15 | 156.3° | 155.8° |
| H12 | C12 | C13 | N14 | 81.7° | 155.1° |
| H12 | C12 | C13 | H13 | 38.3° | 36.2° |
| H12 | C12 | C13 | H13A | 158.3° | 86.1° |
| H12A | C12 | C13 | N14 | 158.3° | 81.1° |
| H12A | C12 | C13 | H13 | 81.7° | 160.1° |
| H12A | C12 | C13 | H13A | 38.3° | 37.7° |
| N14 | C13 | H13 | H13A | 121.6° | 122.2° |
| C13 | N14 | C15 | O16 | 179.6° | 180.0° |
| C13 | N14 | C15 | O17 | 0.2° | 0.0° |
| H13 | C13 | N14 | C15 | 36.3° | 85.3° |
| H13A | C13 | N14 | C15 | 83.7° | 37.0° |
| N14 | C15 | O16 | O17 | 179.8° | 180.0° |
| N14 | C15 | O17 | H20 | 179.7° | 180.0° |
| O16 | C15 | O17 | H20 | 0.0° | 0.0° |
