DC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C2 | sing | 1.53Å | 1.53Å | |
| CA | C3 | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.47Å | 1.33Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.45Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| C7 | C | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C2 | 117.7° | 109.4° |
| N | CA | C3 | 110.0° | 109.5° |
| N | CA | HA | 104.9° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.4° | 110.9° |
| C2 | CA | C3 | 114.3° | 109.5° |
| C2 | CA | HA | 99.5° | 109.4° |
| CA | C2 | H3 | 107.6° | 109.5° |
| CA | C2 | H4 | 107.6° | 109.5° |
| CA | C2 | N2 | 115.3° | 109.5° |
| C3 | CA | HA | 109.2° | 109.5° |
| CA | C3 | C4 | 107.4° | 109.5° |
| CA | C3 | H5 | 110.2° | 109.5° |
| CA | C3 | H6 | 110.2° | 109.5° |
| H3 | C2 | H4 | 111.3° | 109.4° |
| H3 | C2 | N2 | 107.6° | 109.5° |
| H4 | C2 | N2 | 107.6° | 109.4° |
| C2 | N2 | C7 | 120.6° | 111.0° |
| C2 | N2 | H14 | 105.9° | 111.0° |
| C4 | C3 | H5 | 110.2° | 109.5° |
| C4 | C3 | H6 | 110.2° | 109.5° |
| C3 | C4 | C5 | 112.1° | 109.5° |
| C3 | C4 | C6 | 111.9° | 109.5° |
| C3 | C4 | H7 | 106.6° | 109.5° |
| H5 | C3 | H6 | 108.7° | 109.4° |
| C5 | C4 | C6 | 111.3° | 109.4° |
| C5 | C4 | H7 | 107.1° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.4° |
| C6 | C4 | H7 | 107.5° | 109.5° |
| C4 | C6 | H11 | 109.5° | 109.4° |
| C4 | C6 | H12 | 109.4° | 109.5° |
| C4 | C6 | H13 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H10 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H13 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| C7 | N2 | H14 | 105.9° | 111.0° |
| N2 | C7 | C | 103.4° | 109.5° |
| N2 | C7 | C9 | 111.3° | 109.5° |
| N2 | C7 | H15 | 112.1° | 109.5° |
| C | C7 | C9 | 109.0° | 109.4° |
| C | C7 | H15 | 114.3° | 109.5° |
| C7 | C | O | 120.6° | 120.0° |
| C7 | C | OXT | 116.2° | 120.0° |
| C9 | C7 | H15 | 106.8° | 109.5° |
| C7 | C9 | C10 | 113.7° | 109.5° |
| C7 | C9 | H16 | 108.1° | 109.4° |
| C7 | C9 | H17 | 108.1° | 109.4° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C10 | C9 | H16 | 108.1° | 109.5° |
| C10 | C9 | H17 | 108.1° | 109.5° |
| C9 | C10 | C11 | 120.7° | 120.0° |
| C9 | C10 | C12 | 120.7° | 120.0° |
| H16 | C9 | H17 | 110.8° | 109.5° |
| C11 | C10 | C12 | 118.5° | 120.0° |
| C10 | C11 | C13 | 121.6° | 120.0° |
| C10 | C11 | H18 | 119.2° | 120.0° |
| C10 | C12 | C14 | 120.5° | 120.0° |
| C10 | C12 | H19 | 119.8° | 120.0° |
| C13 | C11 | H18 | 119.2° | 120.0° |
| C11 | C13 | C15 | 119.7° | 120.0° |
| C11 | C13 | H20 | 120.1° | 120.0° |
| C14 | C12 | H19 | 119.7° | 120.0° |
| C12 | C14 | C15 | 120.1° | 120.0° |
| C12 | C14 | H21 | 119.9° | 120.0° |
| C15 | C13 | H20 | 120.2° | 120.0° |
| C13 | C15 | C14 | 119.6° | 120.0° |
| C13 | C15 | H22 | 120.2° | 120.0° |
| C15 | C14 | H21 | 120.0° | 120.0° |
| C14 | C15 | H22 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C2 | C3 | 131.5° | 120.0° |
| N | CA | C2 | HA | 112.4° | 120.0° |
| N | CA | C3 | HA | 114.6° | 120.0° |
| N | CA | C2 | H3 | 168.2° | 175.0° |
| N | CA | C2 | H4 | 71.8° | 65.0° |
| N | CA | C2 | N2 | 48.2° | 54.9° |
| N | CA | C3 | C4 | 65.9° | 65.0° |
| N | CA | C3 | H5 | 54.2° | 55.0° |
| N | CA | C3 | H6 | 174.1° | 174.9° |
| H | N | CA | C2 | 180.0° | 60.1° |
| H | N | CA | C3 | 46.7° | 60.0° |
| H | N | CA | HA | 70.6° | 180.0° |
| C2 | CA | C3 | HA | 110.4° | 120.0° |
| CA | C2 | H3 | H4 | 117.6° | 120.0° |
| CA | C2 | H3 | N2 | 124.8° | 120.0° |
| CA | C2 | H4 | N2 | 124.8° | 120.0° |
| C2 | CA | C3 | C4 | 159.1° | 175.0° |
| C2 | CA | C3 | H5 | 80.9° | 65.0° |
| C2 | CA | C3 | H6 | 39.0° | 54.9° |
| CA | C2 | N2 | C7 | 175.7° | 180.0° |
| CA | C2 | N2 | H14 | 64.3° | 56.0° |
| C2 | CA | N | H2 | 60.0° | 176.1° |
| C3 | CA | C2 | H3 | 60.4° | 65.0° |
| C3 | CA | C2 | H4 | 59.6° | 55.0° |
| C3 | CA | C2 | N2 | 179.6° | 175.0° |
| CA | C3 | C4 | H5 | 120.0° | 120.1° |
| CA | C3 | C4 | H6 | 120.0° | 120.0° |
| CA | C3 | H5 | H6 | 120.8° | 120.0° |
| CA | C3 | C4 | C5 | 154.2° | 175.0° |
| CA | C3 | C4 | C6 | 79.9° | 65.0° |
| CA | C3 | C4 | H7 | 37.2° | 55.0° |
| C3 | CA | N | H2 | 166.6° | 63.9° |
| HA | CA | C2 | H3 | 55.8° | 55.0° |
| HA | CA | C2 | H4 | 175.8° | 175.0° |
| HA | CA | C2 | N2 | 64.2° | 65.0° |
| HA | CA | C3 | C4 | 48.7° | 55.0° |
| HA | CA | C3 | H5 | 168.7° | 175.0° |
| HA | CA | C3 | H6 | 71.3° | 65.0° |
| HA | CA | N | H2 | 49.3° | 56.1° |
| H3 | C2 | H4 | N2 | 117.6° | 120.0° |
| H3 | C2 | N2 | C7 | 55.7° | 60.0° |
| H3 | C2 | N2 | H14 | 175.7° | 176.0° |
| H4 | C2 | N2 | C7 | 64.3° | 60.0° |
| H4 | C2 | N2 | H14 | 55.7° | 64.0° |
| C2 | N2 | C7 | H14 | 120.0° | 124.0° |
| C2 | N2 | C7 | C | 67.8° | 85.0° |
| C2 | N2 | C7 | C9 | 175.4° | 155.0° |
| C2 | N2 | C7 | H15 | 55.8° | 35.0° |
| C4 | C3 | H5 | H6 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 126.2° | 120.0° |
| C3 | C4 | C5 | H7 | 116.6° | 120.0° |
| C3 | C4 | C6 | H7 | 116.6° | 120.0° |
| C3 | C4 | C5 | H8 | 180.0° | 60.0° |
| C3 | C4 | C5 | H9 | 60.0° | 180.0° |
| C3 | C4 | C5 | H10 | 60.0° | 60.0° |
| C3 | C4 | C6 | H11 | 180.0° | 60.0° |
| C3 | C4 | C6 | H12 | 60.0° | 180.0° |
| C3 | C4 | C6 | H13 | 60.0° | 60.0° |
| H5 | C3 | C4 | C5 | 34.2° | 55.0° |
| H5 | C3 | C4 | C6 | 160.1° | 174.9° |
| H5 | C3 | C4 | H7 | 82.8° | 65.1° |
| H6 | C3 | C4 | C5 | 85.8° | 64.9° |
| H6 | C3 | C4 | C6 | 40.1° | 55.0° |
| H6 | C3 | C4 | H7 | 157.3° | 175.0° |
| C5 | C4 | C6 | H7 | 117.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H10 | 120.0° | 119.9° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C5 | C4 | C6 | H11 | 53.7° | 180.0° |
| C5 | C4 | C6 | H12 | 66.3° | 60.0° |
| C5 | C4 | C6 | H13 | 173.7° | 60.0° |
| C6 | C4 | C5 | H8 | 53.8° | 60.0° |
| C6 | C4 | C5 | H9 | 173.8° | 60.0° |
| C6 | C4 | C5 | H10 | 66.2° | 179.9° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| C4 | C6 | H11 | H13 | 120.0° | 120.0° |
| C4 | C6 | H12 | H13 | 120.0° | 120.0° |
| H7 | C4 | C5 | H8 | 63.4° | 180.0° |
| H7 | C4 | C5 | H9 | 56.6° | 60.0° |
| H7 | C4 | C5 | H10 | 176.6° | 60.0° |
| H7 | C4 | C6 | H11 | 63.4° | 60.0° |
| H7 | C4 | C6 | H12 | 176.6° | 60.0° |
| H7 | C4 | C6 | H13 | 56.6° | 180.0° |
| H8 | C5 | H9 | H10 | 120.0° | 120.0° |
| H11 | C6 | H12 | H13 | 120.0° | 120.0° |
| N2 | C7 | C | C9 | 118.4° | 120.0° |
| N2 | C7 | C | H15 | 122.1° | 120.0° |
| N2 | C7 | C9 | H15 | 122.6° | 120.0° |
| N2 | C7 | C | O | 43.1° | 0.0° |
| N2 | C7 | C | OXT | 136.1° | 180.0° |
| N2 | C7 | C9 | C10 | 165.8° | 65.0° |
| N2 | C7 | C9 | H16 | 74.1° | 55.0° |
| N2 | C7 | C9 | H17 | 45.8° | 175.0° |
| H14 | N2 | C7 | C | 172.2° | 151.0° |
| H14 | N2 | C7 | C9 | 55.4° | 31.0° |
| H14 | N2 | C7 | H15 | 64.2° | 89.0° |
| C | C7 | C9 | H15 | 124.0° | 120.0° |
| C7 | C | O | OXT | 179.1° | 180.0° |
| C | C7 | C9 | C10 | 52.5° | 175.0° |
| C | C7 | C9 | H16 | 172.5° | 65.0° |
| C | C7 | C9 | H17 | 67.5° | 55.0° |
| C7 | C | OXT | HXT | 179.1° | 179.9° |
| C9 | C7 | C | O | 75.4° | 120.0° |
| C9 | C7 | C | OXT | 105.5° | 60.0° |
| C7 | C9 | C10 | H16 | 120.0° | 120.0° |
| C7 | C9 | C10 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H17 | 118.2° | 119.9° |
| C7 | C9 | C10 | C11 | 52.2° | 90.0° |
| C7 | C9 | C10 | C12 | 124.8° | 90.3° |
| H15 | C7 | C | O | 165.2° | 120.0° |
| H15 | C7 | C | OXT | 13.9° | 59.9° |
| H15 | C7 | C9 | C10 | 71.5° | 55.0° |
| H15 | C7 | C9 | H16 | 48.5° | 175.0° |
| H15 | C7 | C9 | H17 | 168.5° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C10 | C9 | H16 | H17 | 118.3° | 120.1° |
| C9 | C10 | C11 | C12 | 177.0° | 179.8° |
| C9 | C10 | C11 | C13 | 176.7° | 180.0° |
| C9 | C10 | C11 | H18 | 3.3° | 0.0° |
| C9 | C10 | C12 | C14 | 176.8° | 179.9° |
| C9 | C10 | C12 | H19 | 3.2° | 0.1° |
| H16 | C9 | C10 | C11 | 67.8° | 30.0° |
| H16 | C9 | C10 | C12 | 115.2° | 149.8° |
| H17 | C9 | C10 | C11 | 172.1° | 150.0° |
| H17 | C9 | C10 | C12 | 4.8° | 29.7° |
| C10 | C11 | C13 | H18 | 180.0° | 180.0° |
| C11 | C10 | C12 | C14 | 0.2° | 0.2° |
| C11 | C10 | C12 | H19 | 179.8° | 179.7° |
| C10 | C11 | C13 | C15 | 0.2° | 0.0° |
| C10 | C11 | C13 | H20 | 179.9° | 180.0° |
| C12 | C10 | C11 | C13 | 0.3° | 0.3° |
| C12 | C10 | C11 | H18 | 179.7° | 179.7° |
| C10 | C12 | C14 | H19 | 180.0° | 179.9° |
| C10 | C12 | C14 | C15 | 0.1° | 0.1° |
| C10 | C12 | C14 | H21 | 179.9° | 180.0° |
| C11 | C13 | C15 | H20 | 180.0° | 180.0° |
| C11 | C13 | C15 | C14 | 0.1° | 0.2° |
| C11 | C13 | C15 | H22 | 179.9° | 180.0° |
| H18 | C11 | C13 | C15 | 179.9° | 180.0° |
| H18 | C11 | C13 | H20 | 0.1° | 0.0° |
| C12 | C14 | C15 | C13 | 0.3° | 0.3° |
| C12 | C14 | C15 | H21 | 180.0° | 179.9° |
| C12 | C14 | C15 | H22 | 179.8° | 180.0° |
| H19 | C12 | C14 | C15 | 179.9° | 179.9° |
| H19 | C12 | C14 | H21 | 0.1° | 0.1° |
| C13 | C15 | C14 | H22 | 180.0° | 179.7° |
| C13 | C15 | C14 | H21 | 179.7° | 179.8° |
| H20 | C13 | C15 | C14 | 179.9° | 179.7° |
| H20 | C13 | C15 | H22 | 0.1° | 0.0° |
| H21 | C14 | C15 | H22 | 0.2° | 0.0° |
