MP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | CH3 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O10 | sing | 1.36Å | 1.38Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CH3 | HH3 | sing | 1.09Å | 1.10Å | |
| CH3 | HH3A | sing | 1.09Å | 1.10Å | |
| CH3 | HH3B | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.7° | 119.9° |
| C5 | C4 | CH3 | 119.8° | 120.1° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | O10 | 119.2° | 120.0° |
| C3 | C4 | CH3 | 120.4° | 120.0° |
| C4 | C3 | O3 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | CH3 | HH3 | 109.5° | 109.5° |
| C4 | CH3 | HH3A | 109.5° | 109.5° |
| C4 | CH3 | HH3B | 109.4° | 109.5° |
| C6 | C5 | O10 | 120.1° | 120.0° |
| C5 | C6 | C1 | 119.5° | 120.1° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C5 | O10 | HO10 | 109.5° | 113.9° |
| C1 | C6 | H6 | 120.2° | 119.9° |
| C6 | C1 | C2 | 119.9° | 120.1° |
| C6 | C1 | CA | 121.3° | 120.0° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C1 | 111.9° | 109.5° |
| N | CA | C | 117.3° | 109.5° |
| N | CA | HA | 105.4° | 109.4° |
| H2 | N | H | 109.5° | 111.0° |
| O3 | C3 | C2 | 120.4° | 120.0° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C3 | C2 | C1 | 120.2° | 120.1° |
| C3 | C2 | H3 | 119.9° | 120.0° |
| C1 | C2 | H3 | 119.9° | 119.9° |
| C2 | C1 | CA | 118.7° | 120.0° |
| C1 | CA | C | 111.2° | 109.5° |
| C1 | CA | HA | 104.9° | 109.5° |
| C | CA | HA | 104.8° | 109.5° |
| CA | C | O | 118.7° | 120.0° |
| CA | C | OXT | 120.7° | 120.0° |
| O | C | OXT | 120.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HH3 | CH3 | HH3A | 109.5° | 109.4° |
| HH3 | CH3 | HH3B | 109.5° | 109.5° |
| HH3A | CH3 | HH3B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | CH3 | 179.3° | 179.8° |
| C4 | C5 | C6 | O10 | 176.4° | 179.9° |
| C4 | C5 | C6 | C1 | 1.0° | 0.0° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C4 | C3 | O3 | 175.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | CH3 | HH3 | 90.3° | 90.0° |
| C5 | C4 | CH3 | HH3A | 149.7° | 150.0° |
| C5 | C4 | CH3 | HH3B | 29.7° | 30.0° |
| C4 | C5 | O10 | HO10 | 180.0° | 90.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | O10 | 175.5° | 179.9° |
| C4 | C3 | O3 | C2 | 176.2° | 179.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 90.1° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | H3 | 179.5° | 179.9° |
| C3 | C4 | CH3 | HH3 | 90.3° | 90.2° |
| C3 | C4 | CH3 | HH3A | 29.7° | 29.8° |
| C3 | C4 | CH3 | HH3B | 149.7° | 149.7° |
| CH3 | C4 | C5 | C6 | 179.6° | 179.8° |
| CH3 | C4 | C5 | O10 | 3.9° | 0.3° |
| CH3 | C4 | C3 | O3 | 3.9° | 0.2° |
| CH3 | C4 | C3 | C2 | 179.9° | 179.7° |
| C4 | CH3 | HH3 | HH3A | 120.0° | 120.0° |
| C4 | CH3 | HH3 | HH3B | 120.0° | 120.0° |
| C4 | CH3 | HH3A | HH3B | 120.0° | 120.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.0° |
| C5 | C6 | C1 | CA | 178.7° | 180.0° |
| C6 | C5 | O10 | HO10 | 3.5° | 90.1° |
| O10 | C5 | C6 | C1 | 175.4° | 179.9° |
| O10 | C5 | C6 | H6 | 4.5° | 0.1° |
| C6 | C1 | CA | N | 35.9° | 140.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | CA | 179.4° | 179.9° |
| C6 | C1 | C2 | H3 | 179.6° | 180.0° |
| C6 | C1 | CA | C | 97.5° | 100.0° |
| C6 | C1 | CA | HA | 149.6° | 20.1° |
| H6 | C6 | C1 | C2 | 179.3° | 180.0° |
| H6 | C6 | C1 | CA | 1.3° | 0.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | C1 | C2 | 143.5° | 40.1° |
| N | CA | C1 | C | 133.4° | 120.1° |
| N | CA | C1 | HA | 113.8° | 119.9° |
| N | CA | C | HA | 116.4° | 120.0° |
| N | CA | C | O | 117.5° | 20.0° |
| N | CA | C | OXT | 62.5° | 160.0° |
| H2 | N | CA | C1 | 180.0° | 60.0° |
| H2 | N | CA | C | 49.7° | 60.0° |
| H2 | N | CA | HA | 66.5° | 180.0° |
| H | N | CA | C1 | 60.0° | 63.9° |
| H | N | CA | C | 70.4° | 176.1° |
| H | N | CA | HA | 173.5° | 56.0° |
| O3 | C3 | C2 | C1 | 175.7° | 180.0° |
| O3 | C3 | C2 | H3 | 4.3° | 0.0° |
| C2 | C3 | O3 | HO3 | 3.8° | 90.0° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | CA | 179.0° | 180.0° |
| C2 | C1 | CA | C | 83.1° | 80.0° |
| C2 | C1 | CA | HA | 29.7° | 160.0° |
| H3 | C2 | C1 | CA | 1.1° | 0.0° |
| C1 | CA | C | HA | 112.9° | 120.0° |
| C1 | CA | C | O | 111.9° | 100.0° |
| C1 | CA | C | OXT | 68.2° | 80.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | C | O | 1.0° | 140.0° |
| HA | CA | C | OXT | 178.9° | 40.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| HH3 | CH3 | HH3A | HH3B | 120.0° | 120.0° |
