3U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CA | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| N3 | C10 | doub | 1.30Å | 1.34Å | |
| C10 | N1 | sing | 1.38Å | 1.35Å | |
| C10 | N2 | sing | 1.37Å | 1.34Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 120.0° | 120.0° |
| C | CA | C3 | 105.2° | 109.5° |
| C | CA | HA2 | 110.5° | 109.5° |
| C | CA | HA1 | 110.5° | 109.5° |
| CA | C | OXT | 116.3° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| CA | C3 | C4 | 119.1° | 120.0° |
| CA | C3 | C5 | 120.7° | 120.0° |
| C3 | CA | HA2 | 110.5° | 109.5° |
| C3 | CA | HA1 | 110.6° | 109.5° |
| C3 | C4 | C6 | 120.2° | 120.0° |
| C4 | C3 | C5 | 120.2° | 120.0° |
| C3 | C4 | H8 | 119.9° | 120.0° |
| C4 | C6 | C7 | 119.8° | 120.0° |
| C6 | C4 | H8 | 119.9° | 120.0° |
| C4 | C6 | H10 | 120.1° | 120.0° |
| C3 | C5 | C8 | 120.1° | 120.0° |
| C3 | C5 | H9 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C6 | C7 | C9 | 118.5° | 120.0° |
| C7 | C6 | H10 | 120.1° | 120.0° |
| C5 | C8 | C7 | 119.4° | 120.0° |
| C8 | C5 | H9 | 120.0° | 120.0° |
| C5 | C8 | H11 | 120.3° | 120.0° |
| C8 | C7 | C9 | 121.1° | 120.0° |
| C7 | C8 | H11 | 120.3° | 120.0° |
| C7 | C9 | N1 | 111.9° | 109.5° |
| C7 | C9 | H12 | 108.9° | 109.5° |
| C7 | C9 | H13 | 108.8° | 109.5° |
| C9 | N1 | C10 | 125.1° | 120.0° |
| C9 | N1 | H3 | 117.5° | 120.0° |
| N1 | C9 | H12 | 108.9° | 109.5° |
| N1 | C9 | H13 | 108.9° | 109.4° |
| N3 | C10 | N1 | 120.6° | 120.0° |
| N3 | C10 | N2 | 119.6° | 120.0° |
| C10 | N3 | H7 | 112.0° | 120.0° |
| N1 | C10 | N2 | 119.8° | 120.0° |
| C10 | N1 | H3 | 117.4° | 120.0° |
| C10 | N2 | H5 | 120.0° | 120.0° |
| C10 | N2 | H6 | 120.0° | 120.1° |
| HA2 | CA | HA1 | 109.5° | 109.4° |
| H5 | N2 | H6 | 120.0° | 120.0° |
| H12 | C9 | H13 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 175.3° | 179.9° |
| C | CA | C3 | HA2 | 119.3° | 120.0° |
| C | CA | C3 | HA1 | 119.3° | 120.1° |
| C | CA | C3 | C4 | 99.0° | 89.7° |
| C | CA | C3 | C5 | 78.7° | 90.0° |
| C | CA | HA2 | HA1 | 122.0° | 120.1° |
| CA | C | OXT | HXT | 175.5° | 180.0° |
| O | C | CA | C3 | 91.7° | 0.1° |
| O | C | CA | HA2 | 27.6° | 120.0° |
| O | C | CA | HA1 | 148.9° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CA | C3 | C4 | C5 | 177.7° | 179.7° |
| CA | C3 | C4 | C6 | 179.2° | 180.0° |
| CA | C3 | C5 | C8 | 178.8° | 180.0° |
| C3 | CA | HA2 | HA1 | 122.0° | 120.0° |
| CA | C3 | C4 | H8 | 0.8° | 0.1° |
| CA | C3 | C5 | H9 | 1.2° | 0.0° |
| C3 | CA | C | OXT | 83.9° | 180.0° |
| C3 | C4 | C6 | H8 | 180.0° | 179.9° |
| C3 | C4 | C6 | C7 | 1.5° | 0.0° |
| C4 | C3 | C5 | C8 | 1.1° | 0.3° |
| C4 | C3 | CA | HA2 | 141.7° | 150.3° |
| C4 | C3 | CA | HA1 | 20.3° | 30.3° |
| C4 | C3 | C5 | H9 | 178.9° | 179.7° |
| C3 | C4 | C6 | H10 | 178.5° | 179.9° |
| C6 | C4 | C3 | C5 | 1.5° | 0.3° |
| C4 | C6 | C7 | H10 | 180.0° | 180.0° |
| C4 | C6 | C7 | C8 | 1.2° | 0.2° |
| C4 | C6 | C7 | C9 | 179.4° | 180.0° |
| C3 | C5 | C8 | H9 | 180.0° | 180.0° |
| C3 | C5 | C8 | C7 | 0.8° | 0.0° |
| C5 | C3 | CA | HA2 | 40.6° | 30.0° |
| C5 | C3 | CA | HA1 | 162.0° | 150.0° |
| C5 | C3 | C4 | H8 | 178.5° | 179.8° |
| C3 | C5 | C8 | H11 | 179.2° | 180.0° |
| C6 | C7 | C8 | C5 | 0.9° | 0.2° |
| C6 | C7 | C8 | C9 | 178.2° | 179.8° |
| C6 | C7 | C9 | N1 | 144.9° | 90.0° |
| C7 | C6 | C4 | H8 | 178.5° | 180.0° |
| C6 | C7 | C8 | H11 | 179.1° | 179.7° |
| C6 | C7 | C9 | H12 | 94.7° | 30.0° |
| C6 | C7 | C9 | H13 | 24.5° | 150.1° |
| C5 | C8 | C7 | H11 | 180.0° | 180.0° |
| C5 | C8 | C7 | C9 | 179.0° | 180.0° |
| C8 | C7 | C9 | N1 | 36.9° | 89.8° |
| C7 | C8 | C5 | H9 | 179.2° | 180.0° |
| C8 | C7 | C6 | H10 | 178.8° | 179.8° |
| C8 | C7 | C9 | H12 | 83.5° | 150.2° |
| C8 | C7 | C9 | H13 | 157.3° | 30.2° |
| C7 | C9 | N1 | H12 | 120.4° | 120.0° |
| C7 | C9 | N1 | H13 | 120.4° | 120.0° |
| C7 | C9 | N1 | C10 | 70.0° | 180.0° |
| C7 | C9 | N1 | H3 | 110.0° | 0.0° |
| C9 | C7 | C6 | H10 | 0.6° | 0.0° |
| C9 | C7 | C8 | H11 | 1.0° | 0.0° |
| C7 | C9 | H12 | H13 | 118.8° | 120.0° |
| C9 | N1 | C10 | N3 | 1.8° | 180.0° |
| C9 | N1 | C10 | H3 | 180.0° | 180.0° |
| C9 | N1 | C10 | N2 | 178.5° | 0.0° |
| N1 | C9 | H12 | H13 | 118.9° | 120.0° |
| N3 | C10 | N1 | N2 | 179.7° | 180.0° |
| N3 | C10 | N1 | H3 | 178.2° | 0.0° |
| N3 | C10 | N2 | H5 | 179.7° | 0.0° |
| N3 | C10 | N2 | H6 | 0.4° | 180.0° |
| N1 | C10 | N2 | H5 | 0.0° | 179.9° |
| N1 | C10 | N2 | H6 | 180.0° | 0.0° |
| N1 | C10 | N3 | H7 | 179.7° | 180.0° |
| C10 | N1 | C9 | H12 | 169.6° | 60.0° |
| C10 | N1 | C9 | H13 | 50.3° | 60.0° |
| N2 | C10 | N1 | H3 | 1.5° | 180.0° |
| C10 | N2 | H5 | H6 | 180.0° | 179.9° |
| N2 | C10 | N3 | H7 | 0.0° | 0.0° |
| HA2 | CA | C | OXT | 156.8° | 60.0° |
| HA1 | CA | C | OXT | 35.5° | 60.0° |
| H3 | N1 | C9 | H12 | 10.4° | 120.0° |
| H3 | N1 | C9 | H13 | 129.7° | 120.0° |
| H8 | C4 | C6 | H10 | 1.5° | 0.0° |
| H9 | C5 | C8 | H11 | 0.8° | 0.0° |
