4AW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CG | CD1 | doub | 1.34Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.39Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.41Å | 1.39Å | Aromatic |
| CD2 | NE3 | doub | 1.33Å | 1.38Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | CZ2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ3 | CH2 | doub | 1.39Å | 1.41Å | Aromatic |
| CZ3 | NE3 | sing | 1.32Å | 1.45Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.39Å | Aromatic |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | 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) |
| N | CA | CB | 109.3° | 109.5° |
| N | CA | C | 108.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.4° | 109.5° |
| CB | CA | C | 109.0° | 109.5° |
| CA | CB | CG | 113.2° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB2 | 108.5° | 109.4° |
| CA | CB | HB3 | 108.5° | 109.5° |
| CA | C | O | 119.5° | 120.0° |
| CA | C | OXT | 110.3° | 120.0° |
| C | CA | HA | 110.1° | 109.4° |
| CB | CG | CD1 | 127.3° | 126.5° |
| CB | CG | CD2 | 122.8° | 126.5° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.5° |
| CD1 | CG | CD2 | 109.9° | 107.1° |
| CG | CD1 | NE1 | 104.7° | 110.0° |
| CG | CD1 | HD1 | 127.6° | 125.0° |
| CG | CD2 | CE2 | 108.0° | 105.8° |
| CG | CD2 | NE3 | 134.3° | 133.7° |
| CD1 | NE1 | CE2 | 111.3° | 109.8° |
| NE1 | CD1 | HD1 | 127.7° | 125.0° |
| CD1 | NE1 | HE1 | 124.3° | 125.2° |
| CE2 | CD2 | NE3 | 117.7° | 120.4° |
| CD2 | CE2 | NE1 | 106.0° | 107.3° |
| CD2 | CE2 | CZ2 | 122.2° | 118.9° |
| CD2 | NE3 | CZ3 | 119.6° | 121.4° |
| NE1 | CE2 | CZ2 | 131.7° | 133.8° |
| CE2 | NE1 | HE1 | 124.4° | 125.0° |
| CE2 | CZ2 | CH2 | 123.6° | 118.3° |
| CE2 | CZ2 | HZ2 | 118.2° | 120.8° |
| CH2 | CZ3 | NE3 | 122.7° | 121.3° |
| CZ3 | CH2 | CZ2 | 114.0° | 119.7° |
| CH2 | CZ3 | HZ3 | 118.7° | 119.4° |
| CZ3 | CH2 | HH2 | 123.0° | 120.2° |
| NE3 | CZ3 | HZ3 | 118.7° | 119.4° |
| CH2 | CZ2 | HZ2 | 118.2° | 120.8° |
| CZ2 | CH2 | HH2 | 123.0° | 120.2° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 118.8° | 120.0° |
| N | CA | CB | HA | 120.9° | 120.0° |
| N | CA | C | HA | 121.1° | 120.0° |
| N | CA | CB | CG | 83.1° | 65.0° |
| N | CA | C | O | 11.8° | 20.0° |
| N | CA | C | OXT | 163.5° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 156.3° | 55.0° |
| N | CA | CB | HB3 | 37.5° | 175.0° |
| CB | CA | C | HA | 119.9° | 120.0° |
| CA | CB | CG | HB2 | 120.5° | 120.0° |
| CA | CB | CG | HB3 | 120.5° | 120.0° |
| CA | CB | CG | CD1 | 77.1° | 95.0° |
| CA | CB | CG | CD2 | 103.2° | 84.7° |
| CB | CA | C | O | 130.9° | 100.0° |
| CB | CA | C | OXT | 77.4° | 80.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | HB2 | HB3 | 118.3° | 120.0° |
| C | CA | CB | CG | 35.7° | 175.0° |
| CA | C | O | OXT | 147.9° | 180.0° |
| C | CA | N | H | 61.1° | 60.1° |
| C | CA | N | H2 | 58.9° | 176.0° |
| C | CA | CB | HB2 | 84.9° | 65.0° |
| C | CA | CB | HB3 | 156.2° | 55.0° |
| CA | C | OXT | HXT | 150.5° | 179.9° |
| CB | CG | CD1 | CD2 | 179.7° | 179.8° |
| CB | CG | CD1 | NE1 | 177.5° | 180.0° |
| CB | CG | CD2 | CE2 | 178.7° | 180.0° |
| CB | CG | CD2 | NE3 | 1.9° | 0.1° |
| CG | CB | CA | HA | 156.0° | 55.0° |
| CG | CB | HB2 | HB3 | 118.4° | 120.0° |
| CB | CG | CD1 | HD1 | 2.5° | 0.1° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.6° | 0.2° |
| CD1 | CG | CD2 | NE3 | 177.8° | 179.7° |
| CG | CD1 | NE1 | CE2 | 3.1° | 0.1° |
| CD1 | CG | CB | HB2 | 43.4° | 145.0° |
| CD1 | CG | CB | HB3 | 162.3° | 25.0° |
| CG | CD1 | NE1 | HE1 | 176.9° | 180.0° |
| CD2 | CG | CD1 | NE1 | 2.8° | 0.2° |
| CG | CD2 | CE2 | NE3 | 179.5° | 179.9° |
| CG | CD2 | CE2 | NE1 | 0.3° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.1° | 179.9° |
| CG | CD2 | NE3 | CZ3 | 177.3° | 180.0° |
| CD2 | CG | CB | HB2 | 136.3° | 35.2° |
| CD2 | CG | CB | HB3 | 17.3° | 155.3° |
| CD2 | CG | CD1 | HD1 | 177.2° | 179.7° |
| CD1 | NE1 | CE2 | CD2 | 2.2° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 177.2° | 179.8° |
| CD2 | CE2 | NE1 | CZ2 | 179.4° | 179.8° |
| CE2 | CD2 | NE3 | CZ3 | 2.0° | 0.1° |
| CD2 | CE2 | CZ2 | CH2 | 1.5° | 0.0° |
| CD2 | CE2 | NE1 | HE1 | 177.8° | 179.8° |
| CD2 | CE2 | CZ2 | HZ2 | 178.5° | 179.9° |
| NE3 | CD2 | CE2 | NE1 | 179.8° | 179.8° |
| NE3 | CD2 | CE2 | CZ2 | 0.3° | 0.0° |
| CD2 | NE3 | CZ3 | CH2 | 4.9° | 0.1° |
| CD2 | NE3 | CZ3 | HZ3 | 175.1° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.2° | 179.8° |
| CE2 | NE1 | CD1 | HD1 | 176.9° | 179.8° |
| NE1 | CE2 | CZ2 | HZ2 | 0.8° | 0.3° |
| CE2 | CZ2 | CH2 | CZ3 | 3.9° | 0.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CZ2 | CE2 | NE1 | HE1 | 2.8° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 176.1° | 179.9° |
| CH2 | CZ3 | NE3 | HZ3 | 180.0° | 179.8° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | HZ2 | 176.0° | 179.9° |
| NE3 | CZ3 | CH2 | CZ2 | 5.6° | 0.1° |
| NE3 | CZ3 | CH2 | HH2 | 174.4° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 174.4° | 179.9° |
| O | C | CA | HA | 109.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 42.4° | 40.0° |
| H | N | CA | HA | 59.8° | 180.0° |
| H2 | N | CA | HA | 179.8° | 56.0° |
| HA | CA | CB | HB2 | 35.5° | 175.0° |
| HA | CA | CB | HB3 | 83.4° | 65.0° |
| HD1 | CD1 | NE1 | HE1 | 3.1° | 0.1° |
| HZ2 | CZ2 | CH2 | HH2 | 4.0° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 5.6° | 0.1° |
