4AR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | C3 | sing | 1.53Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | C7 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C6 | sing | 1.37Å | 1.33Å | |
| C6 | N3 | sing | 1.33Å | 1.32Å | |
| C6 | N4 | doub | 1.33Å | 1.33Å | |
| C7 | O2 | sing | 1.45Å | 1.43Å | |
| O2 | C8 | sing | 1.35Å | 1.54Å | |
| C8 | C9 | sing | 1.48Å | 1.54Å | |
| C9 | C10 | sing | 1.40Å | 1.54Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.54Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.54Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.54Å | Aromatic |
| C8 | O3 | doub | 1.21Å | 1.22Å | |
| C10 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.51Å | 1.54Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C3 | HB2 | sing | 1.09Å | 1.10Å | |
| C3 | HB3 | sing | 1.09Å | 1.10Å | |
| C4 | HG2 | sing | 1.09Å | 1.10Å | |
| C4 | HG3 | sing | 1.09Å | 1.10Å | |
| C5 | HD2 | sing | 1.09Å | 1.10Å | |
| C5 | HD3 | sing | 1.09Å | 1.10Å | |
| N2 | HE | sing | 0.97Å | 1.00Å | |
| N3 | HH11 | sing | 0.97Å | 1.00Å | |
| N3 | HH12 | sing | 0.97Å | 1.00Å | |
| N4 | HH21 | sing | 0.97Å | 1.00Å | |
| N4 | HH22 | sing | 0.97Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 111.9° | 109.5° |
| N | CA | C3 | 109.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.5° | 109.5° |
| C | CA | C3 | 110.7° | 109.5° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | C7 | 119.2° | 120.0° |
| C | CA | HA | 107.9° | 109.4° |
| CA | C3 | C4 | 113.4° | 109.5° |
| C3 | CA | HA | 108.0° | 109.5° |
| CA | C3 | HB2 | 108.5° | 109.5° |
| CA | C3 | HB3 | 108.4° | 109.5° |
| O | C | C7 | 122.4° | 120.0° |
| C | C7 | O2 | 109.5° | 109.5° |
| C | C7 | H15 | 109.5° | 109.5° |
| C | C7 | H16 | 109.5° | 109.5° |
| C3 | C4 | C5 | 111.8° | 109.5° |
| C4 | C3 | HB2 | 108.5° | 109.4° |
| C4 | C3 | HB3 | 108.5° | 109.5° |
| C3 | C4 | HG2 | 108.9° | 109.4° |
| C3 | C4 | HG3 | 108.9° | 109.5° |
| C4 | C5 | N2 | 111.9° | 109.5° |
| C5 | C4 | HG2 | 108.9° | 109.5° |
| C5 | C4 | HG3 | 108.9° | 109.5° |
| C4 | C5 | HD2 | 108.9° | 109.5° |
| C4 | C5 | HD3 | 108.8° | 109.5° |
| C5 | N2 | C6 | 124.6° | 120.0° |
| N2 | C5 | HD2 | 108.9° | 109.5° |
| N2 | C5 | HD3 | 108.9° | 109.5° |
| C5 | N2 | HE | 117.7° | 120.0° |
| N2 | C6 | N3 | 120.4° | 120.0° |
| N2 | C6 | N4 | 119.8° | 119.9° |
| C6 | N2 | HE | 117.7° | 120.0° |
| N3 | C6 | N4 | 119.8° | 120.0° |
| C6 | N3 | HH11 | 120.0° | 120.0° |
| C6 | N3 | HH12 | 120.0° | 120.0° |
| C6 | N4 | HH21 | 120.0° | 120.0° |
| C6 | N4 | HH22 | 120.0° | 119.9° |
| C7 | O2 | C8 | 109.5° | 117.0° |
| O2 | C7 | H15 | 109.5° | 109.5° |
| O2 | C7 | H16 | 109.5° | 109.5° |
| O2 | C8 | C9 | 120.0° | 120.0° |
| O2 | C8 | O3 | 104.5° | 120.0° |
| C8 | C9 | C10 | 118.6° | 120.2° |
| C8 | C9 | C14 | 118.6° | 120.2° |
| C9 | C8 | O3 | 104.5° | 120.0° |
| C10 | C9 | C14 | 120.0° | 119.7° |
| C9 | C10 | C11 | 120.0° | 119.9° |
| C9 | C10 | C15 | 120.0° | 120.1° |
| C9 | C14 | C13 | 120.0° | 119.8° |
| C9 | C14 | C16 | 120.0° | 120.1° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | C15 | 120.0° | 120.1° |
| C10 | C11 | H17 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.3° |
| C12 | C11 | H17 | 120.0° | 120.0° |
| C11 | C12 | H18 | 120.0° | 119.8° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C13 | C12 | H18 | 120.0° | 119.9° |
| C12 | C13 | H19 | 120.0° | 119.9° |
| C13 | C14 | C16 | 120.0° | 120.1° |
| C14 | C13 | H19 | 120.0° | 120.0° |
| C10 | C15 | H20 | 109.5° | 109.4° |
| C10 | C15 | H21 | 109.5° | 109.4° |
| C10 | C15 | H22 | 109.5° | 109.4° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | C3 | HB3 | 109.5° | 109.5° |
| HG2 | C4 | HG3 | 109.5° | 109.5° |
| HD2 | C5 | HD3 | 109.4° | 109.4° |
| HH11 | N3 | HH12 | 120.0° | 120.0° |
| HH21 | N4 | HH22 | 120.0° | 120.0° |
| H15 | C7 | H16 | 109.4° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | C3 | 122.8° | 120.0° |
| N | CA | C | HA | 119.2° | 120.0° |
| N | CA | C3 | HA | 118.1° | 120.0° |
| N | CA | C | O | 0.6° | 15.0° |
| N | CA | C | C7 | 177.9° | 165.0° |
| N | CA | C3 | C4 | 61.6° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C3 | HB2 | 59.0° | 55.0° |
| N | CA | C3 | HB3 | 177.8° | 175.0° |
| C | CA | C3 | HA | 117.9° | 120.0° |
| CA | C | O | C7 | 178.5° | 180.0° |
| C | CA | C3 | C4 | 174.4° | 175.0° |
| CA | C | C7 | O2 | 143.9° | 180.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | C3 | HB2 | 65.0° | 65.0° |
| C | CA | C3 | HB3 | 53.8° | 55.0° |
| CA | C | C7 | H15 | 23.8° | 60.0° |
| CA | C | C7 | H16 | 96.1° | 60.0° |
| C3 | CA | C | O | 122.2° | 105.0° |
| C3 | CA | C | C7 | 59.3° | 75.0° |
| CA | C3 | C4 | HB2 | 120.6° | 120.0° |
| CA | C3 | C4 | HB3 | 120.6° | 120.0° |
| CA | C3 | C4 | C5 | 170.1° | 180.0° |
| C3 | CA | N | H | 56.6° | 60.0° |
| C3 | CA | N | H2 | 176.7° | 63.9° |
| CA | C3 | HB2 | HB3 | 118.2° | 120.0° |
| CA | C3 | C4 | HG2 | 69.6° | 60.0° |
| CA | C3 | C4 | HG3 | 49.7° | 60.0° |
| O | C | C7 | O2 | 34.6° | 0.0° |
| O | C | CA | HA | 119.8° | 135.0° |
| O | C | C7 | H15 | 154.6° | 120.0° |
| O | C | C7 | H16 | 85.4° | 120.0° |
| C | C7 | O2 | H15 | 120.0° | 120.0° |
| C | C7 | O2 | H16 | 120.0° | 120.0° |
| C | C7 | O2 | C8 | 169.0° | 180.0° |
| C7 | C | CA | HA | 58.7° | 45.0° |
| C | C7 | H15 | H16 | 120.0° | 120.0° |
| C3 | C4 | C5 | HG2 | 120.3° | 119.9° |
| C3 | C4 | C5 | HG3 | 120.4° | 120.0° |
| C3 | C4 | C5 | N2 | 61.8° | 180.0° |
| C4 | C3 | CA | HA | 56.5° | 55.0° |
| C4 | C3 | HB2 | HB3 | 118.2° | 120.0° |
| C3 | C4 | HG2 | HG3 | 119.0° | 120.0° |
| C3 | C4 | C5 | HD2 | 58.6° | 60.0° |
| C3 | C4 | C5 | HD3 | 177.8° | 60.0° |
| C4 | C5 | N2 | HD2 | 120.4° | 120.0° |
| C4 | C5 | N2 | HD3 | 120.4° | 120.0° |
| C4 | C5 | N2 | C6 | 170.2° | 180.0° |
| C5 | C4 | C3 | HB2 | 49.5° | 60.0° |
| C5 | C4 | C3 | HB3 | 69.3° | 60.0° |
| C5 | C4 | HG2 | HG3 | 119.0° | 120.0° |
| C4 | C5 | HD2 | HD3 | 118.9° | 120.0° |
| C4 | C5 | N2 | HE | 9.8° | 0.0° |
| C5 | N2 | C6 | HE | 180.0° | 180.0° |
| C5 | N2 | C6 | N3 | 0.4° | 0.0° |
| C5 | N2 | C6 | N4 | 177.9° | 180.0° |
| N2 | C5 | C4 | HG2 | 177.9° | 60.0° |
| N2 | C5 | C4 | HG3 | 58.6° | 60.0° |
| N2 | C5 | HD2 | HD3 | 118.9° | 120.0° |
| N2 | C6 | N3 | N4 | 178.3° | 180.0° |
| C6 | N2 | C5 | HD2 | 49.8° | 60.0° |
| C6 | N2 | C5 | HD3 | 69.4° | 60.0° |
| N2 | C6 | N3 | HH11 | 178.3° | 0.0° |
| N2 | C6 | N3 | HH12 | 1.7° | 179.9° |
| N2 | C6 | N4 | HH21 | 178.3° | 0.0° |
| N2 | C6 | N4 | HH22 | 1.7° | 180.0° |
| N3 | C6 | N2 | HE | 179.6° | 180.0° |
| C6 | N3 | HH11 | HH12 | 180.0° | 180.0° |
| N3 | C6 | N4 | HH21 | 0.0° | 180.0° |
| N3 | C6 | N4 | HH22 | 180.0° | 0.0° |
| N4 | C6 | N2 | HE | 2.1° | 0.1° |
| N4 | C6 | N3 | HH11 | 0.0° | 180.0° |
| N4 | C6 | N3 | HH12 | 180.0° | 0.0° |
| C6 | N4 | HH21 | HH22 | 180.0° | 180.0° |
| C7 | O2 | C8 | C9 | 180.0° | 180.0° |
| C7 | O2 | C8 | O3 | 63.4° | 0.0° |
| O2 | C7 | H15 | H16 | 120.0° | 120.0° |
| O2 | C8 | C9 | O3 | 116.5° | 179.9° |
| O2 | C8 | C9 | C10 | 80.6° | 90.0° |
| O2 | C8 | C9 | C14 | 80.5° | 89.7° |
| C8 | O2 | C7 | H15 | 49.0° | 60.0° |
| C8 | O2 | C7 | H16 | 71.0° | 60.0° |
| C8 | C9 | C10 | C14 | 160.8° | 179.8° |
| C8 | C9 | C10 | C11 | 160.8° | 180.0° |
| C8 | C9 | C14 | C13 | 160.8° | 179.7° |
| C8 | C9 | C10 | C15 | 19.2° | 0.0° |
| C8 | C9 | C14 | C16 | 19.2° | 0.0° |
| C9 | C10 | C11 | C15 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C14 | C13 | 0.0° | 0.5° |
| C10 | C9 | C8 | O3 | 162.9° | 90.0° |
| C10 | C9 | C14 | C16 | 180.0° | 179.8° |
| C9 | C10 | C11 | H17 | 180.0° | 180.0° |
| C9 | C10 | C15 | H20 | 90.0° | 90.0° |
| C9 | C10 | C15 | H21 | 150.0° | 150.0° |
| C9 | C10 | C15 | H22 | 30.0° | 30.0° |
| C14 | C9 | C10 | C11 | 0.0° | 0.2° |
| C9 | C14 | C13 | C12 | 0.0° | 0.6° |
| C9 | C14 | C13 | C16 | 180.0° | 179.7° |
| C14 | C9 | C8 | O3 | 36.0° | 90.2° |
| C14 | C9 | C10 | C15 | 180.0° | 179.8° |
| C9 | C14 | C13 | H19 | 180.0° | 179.8° |
| C9 | C14 | C16 | H23 | 90.0° | 90.0° |
| C9 | C14 | C16 | H24 | 150.0° | 150.0° |
| C9 | C14 | C16 | H25 | 30.0° | 30.0° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H18 | 180.0° | 179.9° |
| C11 | C10 | C15 | H20 | 90.0° | 90.0° |
| C11 | C10 | C15 | H21 | 30.0° | 30.0° |
| C11 | C10 | C15 | H22 | 150.0° | 150.0° |
| C11 | C12 | C13 | H18 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | C15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C12 | C13 | C14 | H19 | 180.0° | 179.7° |
| C12 | C13 | C14 | C16 | 180.0° | 179.7° |
| C13 | C12 | C11 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | H18 | 180.0° | 179.8° |
| C13 | C14 | C16 | H23 | 90.0° | 89.7° |
| C13 | C14 | C16 | H24 | 30.0° | 30.3° |
| C13 | C14 | C16 | H25 | 150.0° | 150.3° |
| C15 | C10 | C11 | H17 | 0.0° | 0.0° |
| C10 | C15 | H20 | H21 | 120.0° | 120.0° |
| C10 | C15 | H20 | H22 | 120.0° | 120.0° |
| C10 | C15 | H21 | H22 | 120.0° | 120.0° |
| C16 | C14 | C13 | H19 | 0.0° | 0.0° |
| C14 | C16 | H23 | H24 | 120.0° | 120.0° |
| C14 | C16 | H23 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| H | N | CA | HA | 61.1° | 180.0° |
| H2 | N | CA | HA | 58.9° | 56.1° |
| HA | CA | C3 | HB2 | 177.1° | 175.0° |
| HA | CA | C3 | HB3 | 64.1° | 65.0° |
| HB2 | C3 | C4 | HG2 | 169.8° | NaN° |
| HB2 | C3 | C4 | HG3 | 70.9° | 60.0° |
| HB3 | C3 | C4 | HG2 | 51.0° | 60.0° |
| HB3 | C3 | C4 | HG3 | 170.3° | 180.0° |
| HG2 | C4 | C5 | HD2 | 61.7° | 180.0° |
| HG2 | C4 | C5 | HD3 | 57.5° | 60.0° |
| HG3 | C4 | C5 | HD2 | 179.0° | 60.0° |
| HG3 | C4 | C5 | HD3 | 61.8° | 180.0° |
| HD2 | C5 | N2 | HE | 130.2° | 120.0° |
| HD3 | C5 | N2 | HE | 110.6° | 120.0° |
| H17 | C11 | C12 | H18 | 0.0° | 0.1° |
| H18 | C12 | C13 | H19 | 0.0° | 0.1° |
| H20 | C15 | H21 | H22 | 120.0° | 120.1° |
| H23 | C16 | H24 | H25 | 120.0° | 120.0° |
