IAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CE2 | CD | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ2 | CH | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ1 | doub | 1.38Å | 1.38Å | Aromatic |
| CH | CZ1 | sing | 1.38Å | 1.38Å | Aromatic |
| CH | CI | sing | 1.51Å | 1.49Å | |
| FI2 | CI | sing | 1.40Å | 1.32Å | |
| FI1 | CI | sing | 1.40Å | 1.33Å | |
| CI | FI3 | sing | 1.40Å | 1.33Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CE1 | H9 | sing | 1.08Å | 1.08Å | |
| CE2 | H10 | sing | 1.08Å | 1.08Å | |
| CZ1 | H11 | sing | 1.08Å | 1.08Å | |
| CZ2 | H12 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.2° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| N | CA | C | 109.3° | 109.4° |
| N | CA | CB | 111.0° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 109.8° | 109.5° |
| C | CA | CB | 109.1° | 109.5° |
| CA | C | OXT | 116.3° | 120.0° |
| C | CA | HA | 108.8° | 109.5° |
| CA | CB | CG | 113.1° | 109.4° |
| CB | CA | HA | 108.8° | 109.5° |
| CA | CB | HB1 | 108.6° | 109.5° |
| CA | CB | HB2 | 108.6° | 109.5° |
| CB | CG | CD | 110.3° | 109.5° |
| CG | CB | HB1 | 108.6° | 109.4° |
| CG | CB | HB2 | 108.5° | 109.5° |
| CB | CG | HG1 | 109.3° | 109.5° |
| CB | CG | HG2 | 109.2° | 109.5° |
| CG | CD | CE2 | 121.3° | 120.1° |
| CG | CD | CE1 | 120.1° | 120.0° |
| CD | CG | HG1 | 109.3° | 109.4° |
| CD | CG | HG2 | 109.3° | 109.4° |
| CD | CE2 | CZ2 | 121.4° | 120.1° |
| CE2 | CD | CE1 | 118.1° | 119.9° |
| CD | CE2 | H10 | 119.3° | 119.9° |
| CE2 | CZ2 | CH | 119.3° | 120.0° |
| CZ2 | CE2 | H10 | 119.3° | 120.0° |
| CE2 | CZ2 | H12 | 120.4° | 120.1° |
| CD | CE1 | CZ1 | 121.2° | 120.0° |
| CD | CE1 | H9 | 119.4° | 120.0° |
| CZ2 | CH | CZ1 | 120.2° | 120.0° |
| CZ2 | CH | CI | 120.5° | 120.0° |
| CH | CZ2 | H12 | 120.4° | 120.0° |
| CE1 | CZ1 | CH | 119.7° | 120.0° |
| CZ1 | CE1 | H9 | 119.4° | 120.0° |
| CE1 | CZ1 | H11 | 120.2° | 120.0° |
| CZ1 | CH | CI | 119.2° | 120.0° |
| CH | CZ1 | H11 | 120.2° | 120.0° |
| CH | CI | FI2 | 112.3° | 109.5° |
| CH | CI | FI1 | 113.4° | 109.5° |
| CH | CI | FI3 | 112.8° | 109.4° |
| FI2 | CI | FI1 | 105.6° | 109.5° |
| FI2 | CI | FI3 | 105.9° | 109.5° |
| FI1 | CI | FI3 | 106.1° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.5° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HG1 | CG | HG2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 49.1° | 20.0° |
| O | C | CA | OXT | 178.7° | 180.0° |
| O | C | CA | CB | 72.4° | 100.0° |
| O | C | CA | HA | 169.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N | CA | C | CB | 121.5° | 120.0° |
| N | CA | C | HA | 119.9° | 120.0° |
| N | CA | CB | HA | 121.0° | 120.0° |
| N | CA | CB | CG | 62.9° | 65.0° |
| N | CA | C | OXT | 132.3° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB1 | 57.6° | 54.9° |
| N | CA | CB | HB2 | 176.6° | 175.0° |
| C | CA | CB | HA | 118.5° | 120.0° |
| C | CA | CB | CG | 176.6° | 175.0° |
| C | CA | N | H2 | 180.0° | 60.0° |
| C | CA | N | H | 60.0° | 176.0° |
| C | CA | CB | HB1 | 62.8° | 65.1° |
| C | CA | CB | HB2 | 56.1° | 55.0° |
| CA | C | OXT | HXT | 178.6° | 179.9° |
| CA | CB | CG | HB1 | 120.5° | 120.0° |
| CA | CB | CG | HB2 | 120.6° | 120.0° |
| CA | CB | CG | CD | 178.4° | 180.0° |
| CB | CA | C | OXT | 106.2° | 80.0° |
| CB | CA | N | H2 | 59.6° | 60.0° |
| CB | CA | N | H | 179.7° | 64.0° |
| CA | CB | HB1 | HB2 | 118.4° | 120.0° |
| CA | CB | CG | HG1 | 61.5° | 60.0° |
| CA | CB | CG | HG2 | 58.3° | 60.0° |
| CB | CG | CD | HG1 | 120.1° | 120.0° |
| CB | CG | CD | HG2 | 120.1° | 120.0° |
| CB | CG | CD | CE2 | 95.7° | 90.3° |
| CB | CG | CD | CE1 | 75.9° | 90.0° |
| CG | CB | CA | HA | 58.1° | 55.0° |
| CG | CB | HB1 | HB2 | 118.3° | 120.0° |
| CB | CG | HG1 | HG2 | 119.6° | 120.1° |
| CG | CD | CE2 | CE1 | 171.8° | 179.8° |
| CG | CD | CE2 | CZ2 | 176.8° | 180.0° |
| CG | CD | CE1 | CZ1 | 176.2° | 180.0° |
| CD | CG | CB | HB1 | 57.9° | 60.0° |
| CD | CG | CB | HB2 | 61.0° | 60.0° |
| CD | CG | HG1 | HG2 | 119.6° | 120.0° |
| CG | CD | CE1 | H9 | 3.8° | 0.0° |
| CG | CD | CE2 | H10 | 3.2° | 0.0° |
| CD | CE2 | CZ2 | H10 | 180.0° | 180.0° |
| CD | CE2 | CZ2 | CH | 2.3° | 0.0° |
| CE2 | CD | CE1 | CZ1 | 4.2° | 0.3° |
| CE2 | CD | CG | HG1 | 144.1° | 149.7° |
| CE2 | CD | CG | HG2 | 24.3° | 29.7° |
| CE2 | CD | CE1 | H9 | 175.8° | 179.8° |
| CD | CE2 | CZ2 | H12 | 177.8° | 180.0° |
| CZ2 | CE2 | CD | CE1 | 5.0° | 0.3° |
| CE2 | CZ2 | CH | H12 | 180.0° | 180.0° |
| CE2 | CZ2 | CH | CZ1 | 1.4° | 0.3° |
| CE2 | CZ2 | CH | CI | 177.8° | 179.9° |
| CD | CE1 | CZ1 | H9 | 180.0° | 180.0° |
| CD | CE1 | CZ1 | CH | 0.7° | 0.0° |
| CE1 | CD | CG | HG1 | 44.2° | 30.0° |
| CE1 | CD | CG | HG2 | 164.0° | 150.0° |
| CE1 | CD | CE2 | H10 | 175.0° | 179.7° |
| CD | CE1 | CZ1 | H11 | 179.3° | 180.0° |
| CZ2 | CH | CZ1 | CE1 | 2.1° | 0.3° |
| CZ2 | CH | CZ1 | CI | 176.5° | 179.6° |
| CZ2 | CH | CI | FI2 | 96.6° | 29.9° |
| CZ2 | CH | CI | FI1 | 23.1° | 150.0° |
| CZ2 | CH | CI | FI3 | 143.8° | 90.0° |
| CH | CZ2 | CE2 | H10 | 177.8° | 180.0° |
| CZ2 | CH | CZ1 | H11 | 177.9° | 179.7° |
| CE1 | CZ1 | CH | H11 | 180.0° | 179.9° |
| CE1 | CZ1 | CH | CI | 178.6° | 180.0° |
| CZ1 | CH | CI | FI2 | 79.9° | 149.7° |
| CZ1 | CH | CI | FI1 | 160.4° | 29.6° |
| CZ1 | CH | CI | FI3 | 39.7° | 90.3° |
| CH | CZ1 | CE1 | H9 | 179.3° | 179.9° |
| CZ1 | CH | CZ2 | H12 | 178.6° | 179.7° |
| CH | CI | FI2 | FI1 | 124.1° | 120.0° |
| CH | CI | FI2 | FI3 | 123.5° | 120.0° |
| CH | CI | FI1 | FI3 | 124.4° | 120.0° |
| CI | CH | CZ1 | H11 | 1.4° | 0.1° |
| CI | CH | CZ2 | H12 | 2.2° | 0.0° |
| FI2 | CI | FI1 | FI3 | 112.2° | 120.0° |
| OXT | C | CA | HA | 12.3° | 40.0° |
| H2 | N | CA | HA | 60.7° | 180.0° |
| H | N | CA | HA | 59.3° | 56.1° |
| HA | CA | CB | HB1 | 178.6° | 174.9° |
| HA | CA | CB | HB2 | 62.4° | 65.0° |
| HB1 | CB | CG | HG1 | 178.0° | 180.0° |
| HB1 | CB | CG | HG2 | 62.2° | 60.0° |
| HB2 | CB | CG | HG1 | 59.1° | 60.0° |
| HB2 | CB | CG | HG2 | 178.9° | 180.0° |
| H9 | CE1 | CZ1 | H11 | 0.7° | 0.0° |
| H10 | CE2 | CZ2 | H12 | 2.2° | 0.0° |
