5ZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C23 | O24 | sing | 1.43Å | 1.31Å | |
| C23 | CA1 | sing | 1.53Å | 1.48Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| CA1 | N1 | sing | 1.47Å | 1.54Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | N2 | doub | 1.30Å | 1.28Å | |
| C1 | N3 | sing | 1.37Å | 1.36Å | |
| N2 | CA2 | sing | 1.37Å | 1.34Å | |
| CA2 | C11 | doub | 1.38Å | 1.41Å | |
| CA2 | C2 | sing | 1.47Å | 1.43Å | |
| C11 | C7 | sing | 1.41Å | 1.40Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.48Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.35Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | N10 | sing | 1.40Å | 1.50Å | |
| C16 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.27Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | CA3 | sing | 1.47Å | 1.50Å | |
| CA3 | C3 | sing | 1.51Å | 1.47Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | doub | 1.21Å | 1.30Å | |
| C3 | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.5° |
| C23 | C25 | H253 | 109.5° | 109.4° |
| C25 | C23 | O24 | 100.8° | 109.5° |
| C25 | C23 | CA1 | 111.6° | 109.5° |
| C25 | C23 | H23 | 116.4° | 109.4° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| O24 | C23 | CA1 | 116.4° | 109.5° |
| O24 | C23 | H23 | 111.6° | 109.4° |
| C23 | O24 | H24 | 109.5° | 114.0° |
| CA1 | C23 | H23 | 100.8° | 109.5° |
| C23 | CA1 | N1 | 108.2° | 109.4° |
| C23 | CA1 | C1 | 121.7° | 109.4° |
| C23 | CA1 | HA1 | 99.5° | 109.4° |
| N1 | CA1 | C1 | 100.5° | 109.5° |
| N1 | CA1 | HA1 | 121.0° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.1° |
| C1 | CA1 | HA1 | 107.4° | 109.5° |
| CA1 | C1 | N2 | 124.1° | 124.4° |
| CA1 | C1 | N3 | 125.3° | 124.4° |
| H | N1 | H2 | 109.5° | 111.0° |
| N2 | C1 | N3 | 110.5° | 111.2° |
| C1 | N2 | CA2 | 111.8° | 109.3° |
| C1 | N3 | C2 | 106.2° | 108.4° |
| C1 | N3 | CA3 | 126.5° | 125.8° |
| N2 | CA2 | C11 | 129.5° | 127.1° |
| N2 | CA2 | C2 | 104.9° | 105.8° |
| C11 | CA2 | C2 | 125.5° | 127.1° |
| CA2 | C11 | C7 | 127.6° | 120.0° |
| CA2 | C11 | H11 | 116.2° | 120.0° |
| CA2 | C2 | O2 | 127.2° | 127.4° |
| CA2 | C2 | N3 | 106.5° | 105.3° |
| C7 | C11 | H11 | 116.2° | 120.0° |
| C11 | C7 | C8 | 126.1° | 126.9° |
| C11 | C7 | C14 | 128.3° | 126.9° |
| C8 | C7 | C14 | 105.5° | 106.1° |
| C7 | C8 | N9 | 110.6° | 109.5° |
| C7 | C8 | H8 | 124.7° | 125.2° |
| C7 | C14 | C6 | 105.5° | 106.1° |
| C7 | C14 | C16 | 138.1° | 133.8° |
| N9 | C8 | H8 | 124.7° | 125.3° |
| C8 | N9 | C6 | 108.7° | 110.6° |
| C8 | N9 | HN9 | 125.7° | 124.7° |
| C6 | N9 | HN9 | 125.6° | 124.7° |
| N9 | C6 | C5 | 127.3° | 132.9° |
| N9 | C6 | C14 | 109.7° | 107.7° |
| C5 | C6 | C14 | 123.0° | 119.4° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C6 | C5 | H5 | 120.3° | 119.9° |
| C6 | C14 | C16 | 116.4° | 120.1° |
| C4 | C5 | H5 | 120.3° | 119.9° |
| C5 | C4 | C19 | 118.8° | 120.7° |
| C5 | C4 | H4 | 120.6° | 119.7° |
| C19 | C4 | H4 | 120.6° | 119.6° |
| C4 | C19 | C16 | 120.8° | 120.2° |
| C4 | C19 | H3 | 119.6° | 119.9° |
| C16 | C19 | H3 | 119.6° | 119.9° |
| C19 | C16 | N10 | 115.0° | 120.2° |
| C19 | C16 | C14 | 121.6° | 119.5° |
| N10 | C16 | C14 | 123.4° | 120.2° |
| C16 | N10 | H101 | 109.5° | 120.0° |
| C16 | N10 | H102 | 109.4° | 120.0° |
| H101 | N10 | H102 | 109.5° | 120.0° |
| O2 | C2 | N3 | 126.3° | 127.3° |
| C2 | N3 | CA3 | 127.3° | 125.8° |
| N3 | CA3 | C3 | 115.1° | 109.5° |
| N3 | CA3 | HA31 | 107.6° | 109.5° |
| N3 | CA3 | HA32 | 106.3° | 109.5° |
| C3 | CA3 | HA31 | 107.6° | 109.5° |
| C3 | CA3 | HA32 | 106.3° | 109.5° |
| CA3 | C3 | O3 | 115.4° | 120.0° |
| CA3 | C3 | OXT | 110.0° | 120.0° |
| HA31 | CA3 | HA32 | 114.0° | 109.4° |
| O3 | C3 | OXT | 134.1° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C25 | H251 | H252 | 120.0° | 120.1° |
| C23 | C25 | H251 | H253 | 120.0° | 119.9° |
| C23 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C23 | O24 | CA1 | 120.9° | 120.1° |
| C25 | C23 | O24 | H23 | 124.2° | 119.9° |
| C25 | C23 | CA1 | H23 | 124.2° | 119.9° |
| C25 | C23 | O24 | H24 | 6.4° | 59.9° |
| C25 | C23 | CA1 | N1 | 35.2° | 55.0° |
| C25 | C23 | CA1 | C1 | 150.5° | 175.0° |
| C25 | C23 | CA1 | HA1 | 92.1° | 65.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H251 | C25 | C23 | O24 | 142.8° | 59.9° |
| H251 | C25 | C23 | CA1 | 18.5° | 180.0° |
| H251 | C25 | C23 | H23 | 96.4° | 60.0° |
| H252 | C25 | C23 | O24 | 22.8° | 180.0° |
| H252 | C25 | C23 | CA1 | 101.5° | 60.0° |
| H252 | C25 | C23 | H23 | 143.6° | 60.0° |
| H253 | C25 | C23 | O24 | 97.2° | 60.0° |
| H253 | C25 | C23 | CA1 | 138.5° | 60.0° |
| H253 | C25 | C23 | H23 | 23.6° | NaN° |
| O24 | C23 | CA1 | H23 | 120.8° | 120.0° |
| O24 | C23 | CA1 | N1 | 79.8° | 65.1° |
| O24 | C23 | CA1 | C1 | 35.5° | 55.0° |
| O24 | C23 | CA1 | HA1 | 152.9° | 174.9° |
| CA1 | C23 | O24 | H24 | 127.3° | 180.0° |
| C23 | CA1 | N1 | C1 | 128.6° | 120.0° |
| C23 | CA1 | N1 | HA1 | 113.7° | 120.0° |
| C23 | CA1 | C1 | HA1 | 113.4° | 120.0° |
| C23 | CA1 | N1 | H | 151.5° | 60.0° |
| C23 | CA1 | N1 | H2 | 31.5° | 63.9° |
| C23 | CA1 | C1 | N2 | 15.2° | 85.0° |
| C23 | CA1 | C1 | N3 | 163.0° | 95.3° |
| H23 | C23 | O24 | H24 | 117.8° | 60.0° |
| H23 | C23 | CA1 | N1 | 159.4° | 175.0° |
| H23 | C23 | CA1 | C1 | 85.3° | 65.0° |
| H23 | C23 | CA1 | HA1 | 32.1° | 55.0° |
| N1 | CA1 | C1 | HA1 | 127.4° | 120.1° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | C1 | N2 | 104.0° | 34.9° |
| N1 | CA1 | C1 | N3 | 77.8° | 144.7° |
| C1 | CA1 | N1 | H | 22.9° | 60.0° |
| C1 | CA1 | N1 | H2 | 97.1° | 176.1° |
| CA1 | C1 | N2 | N3 | 178.4° | 179.7° |
| CA1 | C1 | N2 | CA2 | 177.7° | 179.9° |
| CA1 | C1 | N3 | C2 | 176.6° | 180.0° |
| CA1 | C1 | N3 | CA3 | 4.0° | 0.0° |
| HA1 | CA1 | N1 | H | 94.8° | 180.0° |
| HA1 | CA1 | N1 | H2 | 145.2° | 56.0° |
| HA1 | CA1 | C1 | N2 | 128.6° | 155.0° |
| HA1 | CA1 | C1 | N3 | 49.6° | 24.7° |
| C1 | N2 | CA2 | C11 | 178.1° | 180.0° |
| C1 | N2 | CA2 | C2 | 0.6° | 0.0° |
| N2 | C1 | N3 | C2 | 1.8° | 0.3° |
| N2 | C1 | N3 | CA3 | 177.6° | 179.7° |
| N3 | C1 | N2 | CA2 | 0.7° | 0.2° |
| C1 | N3 | C2 | CA2 | 2.1° | 0.3° |
| C1 | N3 | C2 | O2 | 179.4° | 179.9° |
| C1 | N3 | C2 | CA3 | 179.4° | 179.9° |
| C1 | N3 | CA3 | C3 | 92.4° | 90.0° |
| C1 | N3 | CA3 | HA31 | 147.6° | 150.0° |
| C1 | N3 | CA3 | HA32 | 25.1° | 30.0° |
| N2 | CA2 | C11 | C2 | 178.5° | 180.0° |
| N2 | CA2 | C11 | C7 | 2.3° | 0.1° |
| N2 | CA2 | C11 | H11 | 177.7° | 180.0° |
| N2 | CA2 | C2 | O2 | 179.8° | 180.0° |
| N2 | CA2 | C2 | N3 | 1.7° | 0.2° |
| CA2 | C11 | C7 | H11 | 180.0° | 180.0° |
| CA2 | C11 | C7 | C8 | 0.0° | 16.0° |
| CA2 | C11 | C7 | C14 | 178.3° | 163.8° |
| C11 | CA2 | C2 | O2 | 1.4° | 0.0° |
| C11 | CA2 | C2 | N3 | 177.1° | 179.8° |
| C2 | CA2 | C11 | C7 | 176.2° | 180.0° |
| C2 | CA2 | C11 | H11 | 3.8° | 0.0° |
| CA2 | C2 | O2 | N3 | 178.2° | 179.8° |
| CA2 | C2 | N3 | CA3 | 177.3° | 179.8° |
| C11 | C7 | C8 | C14 | 178.6° | 179.8° |
| C11 | C7 | C8 | N9 | 178.5° | 180.0° |
| C11 | C7 | C8 | H8 | 1.5° | 0.1° |
| C11 | C7 | C14 | C6 | 178.3° | 179.8° |
| C11 | C7 | C14 | C16 | 1.1° | 0.8° |
| H11 | C11 | C7 | C8 | 179.9° | 164.1° |
| H11 | C11 | C7 | C14 | 1.8° | 16.1° |
| C7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C7 | C8 | N9 | C6 | 0.1° | 0.0° |
| C7 | C8 | N9 | HN9 | 179.9° | 180.0° |
| C8 | C7 | C14 | C6 | 0.2° | 0.3° |
| C8 | C7 | C14 | C16 | 179.7° | 179.4° |
| C14 | C7 | C8 | N9 | 0.1° | 0.2° |
| C14 | C7 | C8 | H8 | 179.9° | 179.8° |
| C7 | C14 | C6 | N9 | 0.3° | 0.3° |
| C7 | C14 | C6 | C5 | 179.4° | 179.8° |
| C7 | C14 | C6 | C16 | 179.6° | 179.2° |
| C7 | C14 | C16 | C19 | 179.3° | 179.6° |
| C7 | C14 | C16 | N10 | 0.4° | 0.8° |
| C8 | N9 | C6 | HN9 | 180.0° | 180.0° |
| C8 | N9 | C6 | C5 | 179.5° | 179.9° |
| C8 | N9 | C6 | C14 | 0.3° | 0.2° |
| H8 | C8 | N9 | C6 | 179.9° | 180.0° |
| H8 | C8 | N9 | HN9 | 0.1° | 0.0° |
| N9 | C6 | C5 | C14 | 179.7° | 179.8° |
| N9 | C6 | C5 | C4 | 179.8° | 180.0° |
| N9 | C6 | C5 | H5 | 0.2° | 0.1° |
| N9 | C6 | C14 | C16 | 179.9° | 179.6° |
| HN9 | N9 | C6 | C5 | 0.5° | 0.1° |
| HN9 | N9 | C6 | C14 | 179.7° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C19 | 0.1° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | C14 | C16 | 0.2° | 0.6° |
| C14 | C6 | C5 | C4 | 0.2° | 0.2° |
| C14 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C14 | C16 | C19 | 0.1° | 0.7° |
| C6 | C14 | C16 | N10 | 179.8° | 179.7° |
| C5 | C4 | C19 | H4 | 180.0° | 180.0° |
| C5 | C4 | C19 | C16 | 0.0° | 0.0° |
| C5 | C4 | C19 | H3 | 180.0° | 179.9° |
| H5 | C5 | C4 | C19 | 180.0° | 180.0° |
| H5 | C5 | C4 | H4 | 0.1° | 0.0° |
| C4 | C19 | C16 | H3 | 180.0° | 179.9° |
| C4 | C19 | C16 | N10 | 179.8° | 180.0° |
| C4 | C19 | C16 | C14 | 0.0° | 0.4° |
| H4 | C4 | C19 | C16 | 180.0° | 180.0° |
| H4 | C4 | C19 | H3 | 0.0° | 0.1° |
| C19 | C16 | N10 | C14 | 179.8° | 179.6° |
| C19 | C16 | N10 | H101 | 32.3° | 9.1° |
| C19 | C16 | N10 | H102 | 87.7° | 171.0° |
| H3 | C19 | C16 | N10 | 0.2° | 0.2° |
| H3 | C19 | C16 | C14 | 180.0° | 179.8° |
| C16 | N10 | H101 | H102 | 120.0° | 179.9° |
| C14 | C16 | N10 | H101 | 147.9° | 170.6° |
| C14 | C16 | N10 | H102 | 92.1° | 9.4° |
| O2 | C2 | N3 | CA3 | 1.3° | 0.0° |
| C2 | N3 | CA3 | C3 | 88.4° | 89.9° |
| C2 | N3 | CA3 | HA31 | 31.6° | 30.1° |
| C2 | N3 | CA3 | HA32 | 154.2° | 150.1° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
| N3 | CA3 | C3 | HA32 | 117.5° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
| N3 | CA3 | C3 | O3 | 155.3° | 0.0° |
| N3 | CA3 | C3 | OXT | 17.6° | 180.0° |
| C3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
| CA3 | C3 | O3 | OXT | 170.6° | 180.0° |
| CA3 | C3 | OXT | HXT | 171.0° | 180.0° |
| HA31 | CA3 | C3 | O3 | 35.3° | 120.0° |
| HA31 | CA3 | C3 | OXT | 137.6° | 60.0° |
| HA32 | CA3 | C3 | O3 | 87.3° | 120.0° |
| HA32 | CA3 | C3 | OXT | 99.9° | 60.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
