02J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C4 | sing | 1.42Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | C5 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| N | O1 | sing | 1.21Å | 1.43Å | Aromatic |
| CA | N | doub | 1.31Å | 1.33Å | Aromatic |
| C | CA | sing | 1.48Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.35Å | 138.90Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C4 | C5 | 107.0° | 103.9° |
| CA | C4 | H4 | 126.5° | 128.1° |
| C4 | CA | N | 111.8° | 106.2° |
| C4 | CA | C | 123.1° | 126.9° |
| C5 | C4 | H4 | 126.5° | 128.1° |
| C4 | C5 | O1 | 110.1° | 106.7° |
| C4 | C5 | C6 | 125.0° | 126.6° |
| O1 | C5 | C6 | 124.8° | 126.6° |
| C5 | O1 | N | 105.3° | 111.9° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| O1 | N | CA | 105.7° | 111.4° |
| N | CA | C | 125.0° | 126.9° |
| CA | C | O | 119.1° | 120.0° |
| CA | C | OXT | 79.6° | 120.0° |
| O | C | OXT | 147.4° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C4 | C5 | H4 | 180.0° | 179.8° |
| CA | C4 | C5 | O1 | 0.0° | 0.3° |
| CA | C4 | C5 | C6 | 179.5° | 179.7° |
| C4 | CA | N | O1 | 0.3° | 0.4° |
| C4 | CA | N | C | 179.1° | 179.6° |
| C4 | CA | C | O | 18.0° | 0.1° |
| C4 | CA | C | OXT | 169.4° | 180.0° |
| C4 | C5 | O1 | C6 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 89.9° |
| C4 | C5 | C6 | H6A | 59.4° | 150.0° |
| C4 | C5 | C6 | H6B | 60.6° | 30.0° |
| C4 | C5 | O1 | N | 0.2° | 0.0° |
| C5 | C4 | CA | N | 0.2° | 0.4° |
| C5 | C4 | CA | C | 179.3° | 180.0° |
| H4 | C4 | C5 | O1 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 0.5° | 0.1° |
| H4 | C4 | CA | N | 179.8° | 179.8° |
| H4 | C4 | CA | C | 0.7° | 0.2° |
| O1 | C5 | C6 | H6 | 0.0° | 90.0° |
| O1 | C5 | C6 | H6A | 120.0° | 30.0° |
| O1 | C5 | C6 | H6B | 120.0° | 150.0° |
| C5 | O1 | N | CA | 0.3° | 0.2° |
| C5 | C6 | H6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6B | 120.0° | 119.9° |
| C5 | C6 | H6A | H6B | 120.0° | 119.9° |
| C6 | C5 | O1 | N | 179.7° | 179.9° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| O1 | N | CA | C | 179.4° | 180.0° |
| N | CA | C | O | 161.0° | 179.5° |
| N | CA | C | OXT | 9.5° | 0.4° |
| CA | C | O | OXT | 119.1° | 179.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
