1JX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | NAF | sing | 1.32Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| NAF | CAK | doub | 1.32Å | 1.34Å | Aromatic |
| CAK | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | NAG | sing | 1.40Å | 1.40Å | |
| CAE | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | N | sing | 1.40Å | 1.39Å | |
| NAG | C | sing | 1.35Å | 1.40Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.40Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | NAF | 120.4° | 121.2° |
| CAD | CAC | CAE | 119.4° | 119.3° |
| CAC | CAD | H2 | 119.8° | 119.4° |
| CAD | CAC | H3 | 120.3° | 120.3° |
| CAD | NAF | CAK | 120.0° | 121.6° |
| NAF | CAD | H2 | 119.8° | 119.4° |
| CAC | CAE | CAJ | 119.0° | 118.1° |
| CAE | CAC | H3 | 120.3° | 120.4° |
| CAC | CAE | H4 | 120.5° | 121.0° |
| NAF | CAK | CAJ | 120.6° | 120.1° |
| NAF | CAK | NAG | 120.4° | 120.6° |
| CAJ | CAK | NAG | 119.1° | 119.3° |
| CAK | CAJ | CAE | 120.7° | 119.6° |
| CAK | CAJ | N | 118.9° | 119.0° |
| CAK | NAG | C | 120.7° | 120.9° |
| CAK | NAG | H1 | 119.6° | 119.6° |
| CAE | CAJ | N | 120.4° | 121.3° |
| CAJ | CAE | H4 | 120.5° | 120.9° |
| CAJ | N | CA | 120.5° | 118.0° |
| CAJ | N | H5 | 106.7° | 121.1° |
| NAG | C | O | 118.2° | 119.6° |
| NAG | C | CA | 121.9° | 120.9° |
| C | NAG | H1 | 119.7° | 119.6° |
| N | CA | C | 112.2° | 109.1° |
| N | CA | CB | 110.4° | 109.3° |
| CA | N | H5 | 106.6° | 120.9° |
| N | CA | H6 | 108.1° | 109.7° |
| O | C | CA | 119.9° | 119.6° |
| C | CA | CB | 109.2° | 109.6° |
| C | CA | H6 | 109.3° | 109.6° |
| CB | CA | H6 | 107.6° | 109.6° |
| CA | CB | H7 | 109.5° | 109.4° |
| CA | CB | H8 | 109.4° | 109.5° |
| CA | CB | H9 | 109.5° | 109.4° |
| H7 | CB | H8 | 109.5° | 109.5° |
| H7 | CB | H9 | 109.5° | 109.5° |
| H8 | CB | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | NAF | H2 | 180.0° | 180.0° |
| CAD | CAC | CAE | H3 | 180.0° | 179.9° |
| CAC | CAD | NAF | CAK | 0.1° | 0.0° |
| CAD | CAC | CAE | CAJ | 0.0° | 0.1° |
| CAD | CAC | CAE | H4 | 180.0° | 179.9° |
| NAF | CAD | CAC | CAE | 0.0° | 0.2° |
| CAD | NAF | CAK | CAJ | 0.1° | 0.2° |
| CAD | NAF | CAK | NAG | 180.0° | 179.7° |
| NAF | CAD | CAC | H3 | 180.0° | 179.9° |
| CAC | CAE | CAJ | CAK | 0.0° | 0.1° |
| CAC | CAE | CAJ | H4 | 180.0° | 180.0° |
| CAC | CAE | CAJ | N | 179.9° | 179.5° |
| CAE | CAC | CAD | H2 | 180.0° | 179.9° |
| NAF | CAK | CAJ | NAG | 179.9° | 179.9° |
| NAF | CAK | CAJ | CAE | 0.0° | 0.3° |
| NAF | CAK | CAJ | N | 179.9° | 179.3° |
| NAF | CAK | NAG | C | 169.1° | 165.9° |
| NAF | CAK | NAG | H1 | 10.8° | 14.0° |
| CAK | NAF | CAD | H2 | 180.0° | 180.0° |
| CAK | CAJ | CAE | N | 180.0° | 179.6° |
| CAJ | CAK | NAG | C | 10.9° | 14.3° |
| CAK | CAJ | N | CA | 21.5° | 28.8° |
| CAJ | CAK | NAG | H1 | 169.1° | 165.9° |
| CAK | CAJ | CAE | H4 | 180.0° | 179.8° |
| CAK | CAJ | N | H5 | 100.1° | 151.0° |
| NAG | CAK | CAJ | CAE | 180.0° | 179.6° |
| NAG | CAK | CAJ | N | 0.0° | 0.8° |
| CAK | NAG | C | H1 | 180.0° | 179.9° |
| CAK | NAG | C | O | 179.9° | 177.6° |
| CAK | NAG | C | CA | 0.1° | 2.0° |
| CAE | CAJ | N | CA | 158.5° | 150.9° |
| CAJ | CAE | CAC | H3 | 180.0° | 180.0° |
| CAE | CAJ | N | H5 | 79.9° | 29.4° |
| CAJ | N | CA | H5 | 121.6° | 179.8° |
| CAJ | N | CA | C | 30.6° | 41.2° |
| CAJ | N | CA | CB | 152.6° | 78.5° |
| N | CAJ | CAE | H4 | 0.0° | 0.5° |
| CAJ | N | CA | H6 | 90.0° | 161.3° |
| NAG | C | CA | N | 19.6° | 28.4° |
| NAG | C | O | CA | 179.8° | 179.6° |
| NAG | C | CA | CB | 142.3° | 91.2° |
| NAG | C | CA | H6 | 100.3° | 148.5° |
| N | CA | C | O | 160.6° | 151.2° |
| N | CA | C | CB | 122.7° | 119.6° |
| N | CA | C | H6 | 119.9° | 120.1° |
| N | CA | CB | H6 | 117.7° | 120.2° |
| N | CA | CB | H7 | 180.0° | 59.5° |
| N | CA | CB | H8 | 60.0° | 60.5° |
| N | CA | CB | H9 | 60.0° | 179.5° |
| O | C | CA | CB | 37.9° | 89.2° |
| O | C | NAG | H1 | 0.1° | 2.5° |
| O | C | CA | H6 | 79.5° | 31.1° |
| C | CA | CB | H6 | 118.5° | 120.3° |
| CA | C | NAG | H1 | 179.8° | 177.9° |
| C | CA | N | H5 | 91.0° | 138.5° |
| C | CA | CB | H7 | 56.2° | 60.0° |
| C | CA | CB | H8 | 63.8° | 180.0° |
| C | CA | CB | H9 | 176.2° | 60.0° |
| CB | CA | N | H5 | 31.0° | 101.7° |
| CA | CB | H7 | H8 | 120.0° | 120.0° |
| CA | CB | H7 | H9 | 120.0° | 119.9° |
| CA | CB | H8 | H9 | 120.0° | 119.9° |
| H2 | CAD | CAC | H3 | 0.0° | 0.0° |
| H3 | CAC | CAE | H4 | 0.0° | 0.0° |
| H5 | N | CA | H6 | 148.5° | 18.5° |
| H6 | CA | CB | H7 | 62.3° | 179.7° |
| H6 | CA | CB | H8 | 177.7° | 59.7° |
| H6 | CA | CB | H9 | 57.7° | 60.3° |
| H7 | CB | H8 | H9 | 120.0° | 120.1° |
