5QY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | NAG | sing | 1.35Å | 1.40Å | |
| C | CA | sing | 1.51Å | 1.40Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| NAG | CAJ | sing | 1.40Å | 1.40Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CAJ | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| N | CAK | sing | 1.40Å | 1.40Å | |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | NAG | 118.1° | 119.6° |
| O | C | CA | 120.8° | 119.6° |
| NAG | C | CA | 121.0° | 120.8° |
| C | NAG | CAJ | 121.1° | 120.7° |
| C | NAG | H1 | 119.4° | 119.7° |
| C | CA | CB | 110.5° | 109.5° |
| C | CA | N | 112.8° | 108.9° |
| C | CA | H7 | 108.2° | 109.5° |
| CB | CA | N | 111.3° | 109.8° |
| CB | CA | H7 | 106.6° | 109.6° |
| CA | CB | H8 | 109.5° | 109.4° |
| CA | CB | H9 | 109.5° | 109.4° |
| CA | CB | H10 | 109.4° | 109.5° |
| NAG | CAJ | CAE | 120.6° | 120.7° |
| NAG | CAJ | CAK | 119.3° | 119.6° |
| CAJ | NAG | H1 | 119.5° | 119.7° |
| CA | N | CAK | 119.7° | 117.8° |
| CA | N | H6 | 106.9° | 121.1° |
| N | CA | H7 | 107.1° | 109.5° |
| CAE | CAJ | CAK | 120.1° | 119.7° |
| CAJ | CAE | CAC | 120.1° | 119.8° |
| CAJ | CAE | H2 | 119.9° | 120.1° |
| CAJ | CAK | N | 119.4° | 118.7° |
| CAJ | CAK | CAF | 119.9° | 120.2° |
| N | CAK | CAF | 120.7° | 121.1° |
| CAK | N | H6 | 106.9° | 121.1° |
| CAE | CAC | CAD | 119.9° | 120.4° |
| CAC | CAE | H2 | 119.9° | 120.0° |
| CAE | CAC | H3 | 120.1° | 119.8° |
| CAK | CAF | CAD | 120.1° | 119.7° |
| CAK | CAF | H5 | 120.0° | 120.2° |
| CAC | CAD | CAF | 119.9° | 120.2° |
| CAD | CAC | H3 | 120.1° | 119.8° |
| CAC | CAD | H4 | 120.1° | 119.9° |
| CAF | CAD | H4 | 120.1° | 119.9° |
| CAD | CAF | H5 | 119.9° | 120.1° |
| H8 | CB | H9 | 109.4° | 109.5° |
| H8 | CB | H10 | 109.5° | 109.5° |
| H9 | CB | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | NAG | CA | 176.3° | 179.8° |
| O | C | CA | CB | 35.0° | 89.3° |
| O | C | NAG | CAJ | 178.7° | 177.6° |
| O | C | CA | N | 160.3° | 150.7° |
| O | C | NAG | H1 | 1.3° | 2.3° |
| O | C | CA | H7 | 81.4° | 31.0° |
| NAG | C | CA | CB | 148.7° | 90.5° |
| C | NAG | CAJ | H1 | 180.0° | 179.9° |
| NAG | C | CA | N | 23.5° | 29.5° |
| C | NAG | CAJ | CAE | 172.8° | 165.8° |
| C | NAG | CAJ | CAK | 8.8° | 14.2° |
| NAG | C | CA | H7 | 94.8° | 149.2° |
| C | CA | CB | N | 126.1° | 119.4° |
| C | CA | CB | H7 | 117.4° | 120.2° |
| CA | C | NAG | CAJ | 5.0° | 2.7° |
| C | CA | N | H7 | 118.9° | 119.7° |
| C | CA | N | CAK | 30.7° | 42.4° |
| CA | C | NAG | H1 | 175.0° | 177.4° |
| C | CA | N | H6 | 90.8° | 137.9° |
| C | CA | CB | H8 | 180.0° | 60.0° |
| C | CA | CB | H9 | 60.0° | 180.0° |
| C | CA | CB | H10 | 60.0° | 60.0° |
| CB | CA | N | H7 | 116.2° | 120.4° |
| CB | CA | N | CAK | 155.5° | 77.4° |
| CB | CA | N | H6 | 34.1° | 102.3° |
| CA | CB | H8 | H9 | 120.0° | 120.0° |
| CA | CB | H8 | H10 | 120.0° | 120.0° |
| CA | CB | H9 | H10 | 120.0° | 120.0° |
| NAG | CAJ | CAE | CAK | 178.4° | 179.9° |
| NAG | CAJ | CAK | N | 1.3° | 0.7° |
| NAG | CAJ | CAE | CAC | 179.2° | 179.7° |
| NAG | CAJ | CAK | CAF | 179.1° | 179.6° |
| NAG | CAJ | CAE | H2 | 0.8° | 0.2° |
| CA | N | CAK | CAJ | 18.9° | 29.5° |
| CA | N | CAK | H6 | 121.4° | 179.7° |
| CA | N | CAK | CAF | 160.6° | 150.3° |
| N | CA | CB | H8 | 53.9° | 179.5° |
| N | CA | CB | H9 | 66.1° | 60.5° |
| N | CA | CB | H10 | 173.9° | 59.5° |
| CAE | CAJ | CAK | N | 179.7° | 179.4° |
| CAJ | CAE | CAC | H2 | 180.0° | 180.0° |
| CAE | CAJ | CAK | CAF | 0.8° | 0.3° |
| CAJ | CAE | CAC | CAD | 0.4° | 0.0° |
| CAE | CAJ | NAG | H1 | 7.2° | 14.3° |
| CAJ | CAE | CAC | H3 | 179.6° | 180.0° |
| CAJ | CAK | N | CAF | 179.5° | 179.7° |
| CAK | CAJ | CAE | CAC | 0.9° | 0.2° |
| CAJ | CAK | CAF | CAD | 0.2° | 0.2° |
| CAK | CAJ | NAG | H1 | 171.2° | 165.7° |
| CAK | CAJ | CAE | H2 | 179.1° | 179.8° |
| CAJ | CAK | CAF | H5 | 179.8° | 179.8° |
| CAJ | CAK | N | H6 | 102.5° | 150.8° |
| N | CAK | CAF | CAD | 179.8° | 179.5° |
| N | CAK | CAF | H5 | 0.2° | 0.5° |
| CAK | N | CA | H7 | 88.2° | 162.1° |
| CAE | CAC | CAD | H3 | 180.0° | 180.0° |
| CAE | CAC | CAD | CAF | 0.1° | 0.1° |
| CAE | CAC | CAD | H4 | 179.9° | 179.8° |
| CAK | CAF | CAD | CAC | 0.2° | 0.0° |
| CAK | CAF | CAD | H5 | 180.0° | 180.0° |
| CAK | CAF | CAD | H4 | 179.8° | 180.0° |
| CAF | CAK | N | H6 | 78.0° | 29.5° |
| CAC | CAD | CAF | H4 | 180.0° | 180.0° |
| CAD | CAC | CAE | H2 | 179.6° | 179.9° |
| CAC | CAD | CAF | H5 | 179.8° | 180.0° |
| CAF | CAD | CAC | H3 | 179.9° | 179.9° |
| H2 | CAE | CAC | H3 | 0.4° | 0.1° |
| H3 | CAC | CAD | H4 | 0.1° | 0.2° |
| H4 | CAD | CAF | H5 | 0.2° | 0.0° |
| H6 | N | CA | H7 | 150.3° | 18.1° |
| H7 | CA | CB | H8 | 62.7° | 60.2° |
| H7 | CA | CB | H9 | 177.4° | 59.8° |
| H7 | CA | CB | H10 | 57.4° | 179.8° |
| H8 | CB | H9 | H10 | 120.0° | 120.0° |
