4YO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.40Å | |
| C | NAH | sing | 1.35Å | 1.39Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| NAH | CAK | sing | 1.40Å | 1.40Å | |
| N | CAL | sing | 1.40Å | 1.40Å | |
| CAK | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | BR1 | sing | 1.89Å | 1.88Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.4° | 119.6° |
| O | C | NAH | 118.0° | 119.6° |
| CA | C | NAH | 121.6° | 120.8° |
| C | CA | N | 113.9° | 109.0° |
| C | CA | H1 | 108.4° | 109.6° |
| C | CA | H2 | 108.4° | 109.5° |
| C | NAH | CAK | 121.7° | 120.7° |
| C | NAH | H7 | 119.1° | 119.6° |
| CA | N | CAL | 121.3° | 117.9° |
| N | CA | H1 | 108.4° | 109.5° |
| N | CA | H2 | 108.3° | 109.5° |
| CA | N | H3 | 106.5° | 121.1° |
| NAH | CAK | CAL | 119.5° | 119.5° |
| NAH | CAK | CAD | 120.1° | 120.9° |
| CAK | NAH | H7 | 119.2° | 119.7° |
| N | CAL | CAK | 119.1° | 118.8° |
| N | CAL | CAE | 120.4° | 121.0° |
| CAL | N | H3 | 106.4° | 121.1° |
| CAL | CAK | CAD | 120.4° | 119.7° |
| CAK | CAL | CAE | 120.5° | 120.2° |
| CAK | CAD | CAC | 119.2° | 119.9° |
| CAK | CAD | H6 | 120.4° | 120.0° |
| CAL | CAE | CAJ | 119.0° | 119.7° |
| CAL | CAE | H4 | 120.5° | 120.1° |
| CAD | CAC | CAJ | 120.5° | 120.3° |
| CAD | CAC | H5 | 119.8° | 119.9° |
| CAC | CAD | H6 | 120.4° | 120.1° |
| CAE | CAJ | CAC | 120.4° | 120.2° |
| CAE | CAJ | BR1 | 119.8° | 119.9° |
| CAJ | CAE | H4 | 120.5° | 120.2° |
| CAC | CAJ | BR1 | 119.7° | 119.9° |
| CAJ | CAC | H5 | 119.8° | 119.8° |
| H1 | CA | H2 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAH | 177.5° | 179.7° |
| O | C | CA | N | 166.3° | 150.9° |
| O | C | NAH | CAK | 178.5° | 177.8° |
| O | C | CA | H1 | 45.7° | 89.2° |
| O | C | CA | H2 | 73.0° | 31.0° |
| O | C | NAH | H7 | 1.5° | 2.5° |
| C | CA | N | H1 | 120.7° | 119.9° |
| C | CA | N | H2 | 120.6° | 119.9° |
| CA | C | NAH | CAK | 4.0° | 1.9° |
| C | CA | N | CAL | 20.5° | 42.0° |
| C | CA | H1 | H2 | 118.0° | 120.2° |
| C | CA | N | H3 | 101.1° | 137.9° |
| CA | C | NAH | H7 | 176.0° | 177.8° |
| NAH | C | CA | N | 16.2° | 28.8° |
| C | NAH | CAK | H7 | 180.0° | 179.7° |
| C | NAH | CAK | CAL | 5.7° | 14.7° |
| C | NAH | CAK | CAD | 175.8° | 165.8° |
| NAH | C | CA | H1 | 136.8° | 91.1° |
| NAH | C | CA | H2 | 104.5° | 148.7° |
| CA | N | CAL | H3 | 121.7° | 180.0° |
| CA | N | CAL | CAK | 12.2° | 29.3° |
| CA | N | CAL | CAE | 167.2° | 150.7° |
| N | CA | H1 | H2 | 118.0° | 120.2° |
| NAH | CAK | CAL | N | 1.3° | 0.8° |
| NAH | CAK | CAL | CAD | 178.5° | 179.5° |
| NAH | CAK | CAL | CAE | 179.3° | 179.2° |
| NAH | CAK | CAD | CAC | 179.2° | 179.2° |
| NAH | CAK | CAD | H6 | 0.8° | 0.7° |
| N | CAL | CAK | CAE | 179.4° | 180.0° |
| N | CAL | CAK | CAD | 179.8° | 179.7° |
| N | CAL | CAE | CAJ | 179.8° | 179.8° |
| CAL | N | CA | H1 | 141.2° | 77.9° |
| CAL | N | CA | H2 | 100.1° | 161.9° |
| N | CAL | CAE | H4 | 0.2° | 0.2° |
| CAL | CAK | CAD | CAC | 0.7° | 0.2° |
| CAK | CAL | CAE | CAJ | 0.4° | 0.2° |
| CAK | CAL | N | H3 | 109.5° | 150.7° |
| CAK | CAL | CAE | H4 | 179.6° | 179.9° |
| CAL | CAK | CAD | H6 | 179.3° | 179.8° |
| CAL | CAK | NAH | H7 | 174.3° | 165.6° |
| CAD | CAK | CAL | CAE | 0.8° | 0.3° |
| CAK | CAD | CAC | H6 | 180.0° | 180.0° |
| CAK | CAD | CAC | CAJ | 0.3° | 0.0° |
| CAK | CAD | CAC | H5 | 179.8° | 180.0° |
| CAD | CAK | NAH | H7 | 4.2° | 13.9° |
| CAL | CAE | CAJ | H4 | 180.0° | 180.0° |
| CAL | CAE | CAJ | CAC | 0.0° | 0.1° |
| CAL | CAE | CAJ | BR1 | 180.0° | 180.0° |
| CAE | CAL | N | H3 | 71.1° | 29.4° |
| CAD | CAC | CAJ | CAE | 0.1° | 0.1° |
| CAD | CAC | CAJ | H5 | 180.0° | 180.0° |
| CAD | CAC | CAJ | BR1 | 179.9° | 179.9° |
| CAE | CAJ | CAC | BR1 | 179.9° | 180.0° |
| CAE | CAJ | CAC | H5 | 179.9° | 179.9° |
| CAC | CAJ | CAE | H4 | 180.0° | 179.9° |
| CAJ | CAC | CAD | H6 | 179.8° | 180.0° |
| BR1 | CAJ | CAE | H4 | 0.0° | 0.0° |
| BR1 | CAJ | CAC | H5 | 0.1° | 0.1° |
| H1 | CA | N | H3 | 19.5° | 102.2° |
| H2 | CA | N | H3 | 138.2° | 18.1° |
| H5 | CAC | CAD | H6 | 0.2° | 0.0° |
