I3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAE | CZ3 | sing | 1.35Å | 1.36Å | |
| CZ3 | CE3 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.40Å | Aromatic |
| FAD | CH2 | sing | 1.35Å | 1.36Å | |
| CH2 | CZ2 | doub | 1.38Å | 1.37Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CD2 | CG | sing | 1.47Å | 1.43Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.41Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CE2 | NE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CA | N | sing | 1.47Å | 1.48Å | |
| CD1 | NE1 | sing | 1.37Å | 1.38Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | H1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAE | CZ3 | CE3 | 119.4° | 119.8° |
| FAE | CZ3 | CH2 | 120.5° | 119.8° |
| CE3 | CZ3 | CH2 | 120.1° | 120.3° |
| CZ3 | CE3 | CD2 | 119.2° | 119.6° |
| CZ3 | CE3 | HE3 | 120.4° | 120.2° |
| CZ3 | CH2 | FAD | 120.4° | 119.7° |
| CZ3 | CH2 | CZ2 | 120.8° | 120.6° |
| CE3 | CD2 | CG | 134.2° | 133.9° |
| CE3 | CD2 | CE2 | 120.1° | 120.1° |
| CD2 | CE3 | HE3 | 120.4° | 120.2° |
| FAD | CH2 | CZ2 | 118.8° | 119.7° |
| CH2 | CZ2 | CE2 | 120.2° | 119.9° |
| CH2 | CZ2 | HZ2 | 119.9° | 120.1° |
| CG | CB | CA | 110.7° | 109.4° |
| CB | CG | CD2 | 125.2° | 126.5° |
| CB | CG | CD1 | 126.1° | 126.5° |
| CG | CB | HB3 | 109.2° | 109.5° |
| CG | CB | H1 | 109.2° | 109.5° |
| CB | CA | C | 110.7° | 109.4° |
| CB | CA | N | 113.2° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB3 | 109.2° | 109.5° |
| CA | CB | H1 | 109.2° | 109.5° |
| CG | CD2 | CE2 | 105.7° | 106.0° |
| CD2 | CG | CD1 | 108.7° | 107.0° |
| CD2 | CE2 | CZ2 | 119.6° | 119.4° |
| CD2 | CE2 | NE1 | 108.0° | 107.2° |
| CG | CD1 | NE1 | 108.2° | 109.9° |
| CG | CD1 | HD1 | 125.9° | 125.0° |
| CZ2 | CE2 | NE1 | 132.4° | 133.4° |
| CE2 | CZ2 | HZ2 | 119.9° | 120.0° |
| O | C | CA | 117.9° | 120.0° |
| O | C | OXT | 123.1° | 120.0° |
| C | CA | N | 107.0° | 109.5° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | OXT | 119.0° | 120.0° |
| CE2 | NE1 | CD1 | 109.4° | 109.8° |
| CE2 | NE1 | HE1 | 125.3° | 125.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 109.2° | 109.5° |
| NE1 | CD1 | HD1 | 125.9° | 125.1° |
| CD1 | NE1 | HE1 | 125.3° | 125.1° |
| H | N | H2 | 109.5° | 111.0° |
| HB3 | CB | H1 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAE | CZ3 | CE3 | CH2 | 179.9° | 179.9° |
| FAE | CZ3 | CE3 | CD2 | 179.9° | 180.0° |
| FAE | CZ3 | CH2 | FAD | 0.0° | 0.1° |
| FAE | CZ3 | CH2 | CZ2 | 179.9° | 180.0° |
| FAE | CZ3 | CE3 | HE3 | 0.1° | 0.1° |
| CZ3 | CE3 | CD2 | HE3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | FAD | 179.9° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.1° |
| CZ3 | CE3 | CD2 | CG | 179.8° | 179.9° |
| CZ3 | CE3 | CD2 | CE2 | 0.0° | 0.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.0° | 0.1° |
| CZ3 | CH2 | FAD | CZ2 | 179.8° | 179.9° |
| CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.0° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.9° | 179.9° |
| CE3 | CD2 | CG | CB | 0.2° | 0.0° |
| CE3 | CD2 | CG | CE2 | 179.9° | 179.9° |
| CE3 | CD2 | CG | CD1 | 180.0° | 179.8° |
| CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.1° |
| CE3 | CD2 | CE2 | NE1 | 180.0° | 179.9° |
| FAD | CH2 | CZ2 | CE2 | 179.9° | 179.9° |
| FAD | CH2 | CZ2 | HZ2 | 0.1° | 0.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.1° | 0.1° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 179.9° |
| CH2 | CZ2 | CE2 | NE1 | 180.0° | 179.8° |
| CG | CB | CA | HB3 | 120.2° | 120.0° |
| CG | CB | CA | H1 | 120.2° | 120.0° |
| CB | CG | CD2 | CD1 | 179.7° | 179.7° |
| CB | CG | CD2 | CE2 | 179.9° | 180.0° |
| CG | CB | CA | C | 166.7° | 175.0° |
| CG | CB | CA | N | 73.1° | 65.0° |
| CB | CG | CD1 | NE1 | 179.8° | 180.0° |
| CG | CB | CA | HA | 48.3° | 55.0° |
| CG | CB | HB3 | H1 | 119.5° | 120.0° |
| CB | CG | CD1 | HD1 | 0.2° | 0.0° |
| CA | CB | CG | CD2 | 93.0° | 84.7° |
| CA | CB | CG | CD1 | 87.3° | 95.0° |
| CB | CA | C | O | 94.5° | 100.0° |
| CB | CA | C | N | 123.8° | 120.0° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CB | CA | N | HA | 121.0° | 120.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | HB3 | H1 | 119.4° | 120.0° |
| CB | CA | C | OXT | 85.0° | 80.0° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | NE1 | 0.1° | 0.3° |
| CD2 | CG | CB | HB3 | 27.2° | 35.3° |
| CD2 | CG | CB | H1 | 146.8° | 155.3° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.8° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.0° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.3° |
| CD2 | CE2 | CZ2 | NE1 | 179.9° | 179.7° |
| CD2 | CE2 | NE1 | CD1 | 0.1° | 0.0° |
| CD2 | CE2 | NE1 | HE1 | 180.0° | 179.8° |
| CE2 | CD2 | CE3 | HE3 | 180.0° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 180.0° |
| CG | CD1 | NE1 | CE2 | 0.0° | 0.2° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CB | HB3 | 152.5° | 145.1° |
| CD1 | CG | CB | H1 | 32.9° | 25.0° |
| CG | CD1 | NE1 | HE1 | 180.0° | 180.0° |
| CZ2 | CE2 | NE1 | CD1 | 179.8° | 179.8° |
| CZ2 | CE2 | NE1 | HE1 | 0.2° | 0.0° |
| O | C | CA | OXT | 179.6° | 180.0° |
| O | C | CA | N | 29.3° | 20.0° |
| O | C | CA | HA | 146.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 116.8° | 120.0° |
| C | CA | N | H | 57.7° | 60.0° |
| C | CA | N | H2 | 62.3° | 176.1° |
| C | CA | CB | HB3 | 46.5° | 65.0° |
| C | CA | CB | H1 | 73.1° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.8° |
| CE2 | NE1 | CD1 | HD1 | 180.0° | 179.9° |
| NE1 | CE2 | CZ2 | HZ2 | 0.0° | 0.3° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB3 | 166.7° | 55.0° |
| N | CA | CB | H1 | 47.1° | 175.0° |
| N | CA | C | OXT | 151.2° | 160.0° |
| H | N | CA | HA | 59.0° | 180.0° |
| H2 | N | CA | HA | 179.0° | 56.0° |
| HA | CA | CB | HB3 | 71.9° | 175.0° |
| HA | CA | CB | H1 | 168.5° | 65.0° |
| HA | CA | C | OXT | 33.7° | 40.0° |
| HD1 | CD1 | NE1 | HE1 | 0.0° | 0.1° |
