TRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.43Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.41Å | 1.41Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.40Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.02Å | |
| CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.10Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.37Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.41Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
| CH2 | HH2 | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.4° | 106.7° |
| CA | N | H2 | 111.9° | 106.7° |
| N | CA | C | 110.3° | 109.4° |
| N | CA | CB | 111.1° | 109.5° |
| N | CA | HA | 107.5° | 109.5° |
| H | N | H2 | 111.9° | 106.7° |
| C | CA | CB | 108.7° | 109.5° |
| C | CA | HA | 109.9° | 109.4° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 124.2° | 120.0° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 115.3° | 109.4° |
| CA | CB | HB2 | 110.0° | 109.5° |
| CA | CB | HB3 | 110.1° | 109.5° |
| O | C | OXT | 115.4° | 120.0° |
| C | OXT | HXT | 124.2° | 120.0° |
| CG | CB | HB2 | 110.1° | 109.5° |
| CG | CB | HB3 | 110.1° | 109.5° |
| CB | CG | CD1 | 126.8° | 126.5° |
| CB | CG | CD2 | 126.9° | 126.5° |
| HB2 | CB | HB3 | 100.2° | 109.5° |
| CD1 | CG | CD2 | 106.3° | 107.0° |
| CG | CD1 | NE1 | 110.4° | 109.9° |
| CG | CD1 | HD1 | 124.3° | 125.1° |
| CG | CD2 | CE2 | 107.2° | 106.1° |
| CG | CD2 | CE3 | 133.9° | 134.0° |
| NE1 | CD1 | HD1 | 125.3° | 125.0° |
| CD1 | NE1 | CE2 | 108.8° | 109.9° |
| CD1 | NE1 | HE1 | 125.7° | 125.1° |
| CE2 | CD2 | CE3 | 118.9° | 119.9° |
| CD2 | CE2 | NE1 | 107.3° | 107.1° |
| CD2 | CE2 | CZ2 | 122.6° | 119.3° |
| CD2 | CE3 | CZ3 | 118.6° | 119.8° |
| CD2 | CE3 | HE3 | 120.8° | 120.1° |
| CE2 | NE1 | HE1 | 125.5° | 125.1° |
| NE1 | CE2 | CZ2 | 130.0° | 133.5° |
| CE2 | CZ2 | CH2 | 117.5° | 119.8° |
| CE2 | CZ2 | HZ2 | 122.2° | 120.1° |
| CZ3 | CE3 | HE3 | 120.6° | 120.1° |
| CE3 | CZ3 | CH2 | 121.0° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.0° | 119.8° |
| CH2 | CZ2 | HZ2 | 120.4° | 120.1° |
| CZ2 | CH2 | CZ3 | 121.4° | 120.6° |
| CZ2 | CH2 | HH2 | 117.9° | 119.6° |
| CH2 | CZ3 | HZ3 | 120.0° | 119.7° |
| CZ3 | CH2 | HH2 | 120.7° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | CB | 122.0° | 120.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | C | O | 161.1° | 30.0° |
| N | CA | C | OXT | 14.9° | 150.0° |
| N | CA | CB | CG | 51.8° | 60.0° |
| N | CA | CB | HB2 | 73.5° | 60.0° |
| N | CA | CB | HB3 | 177.1° | 180.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 59.3° | 60.0° |
| H | N | CA | HA | 60.1° | 180.0° |
| H2 | N | CA | C | 54.7° | 173.8° |
| H2 | N | CA | CB | 65.9° | 53.8° |
| H2 | N | CA | HA | 174.6° | 66.2° |
| C | CA | CB | HA | 119.9° | 120.0° |
| CA | C | O | OXT | 176.3° | 180.0° |
| C | CA | CB | CG | 173.4° | 180.0° |
| C | CA | CB | HB2 | 48.1° | 60.0° |
| C | CA | CB | HB3 | 61.3° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB | CA | C | O | 76.8° | 90.0° |
| CB | CA | C | OXT | 107.2° | 89.9° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.9° | 120.1° |
| CA | CB | CG | CD1 | 95.8° | 90.0° |
| CA | CB | CG | CD2 | 83.0° | 90.3° |
| HA | CA | C | O | 42.7° | 150.0° |
| HA | CA | C | OXT | 133.3° | 30.1° |
| HA | CA | CB | CG | 66.7° | 60.0° |
| HA | CA | CB | HB2 | 168.0° | NaN° |
| HA | CA | CB | HB3 | 58.6° | 60.0° |
| O | C | OXT | HXT | 3.8° | 0.1° |
| CG | CB | HB2 | HB3 | 115.9° | 120.0° |
| CB | CG | CD1 | CD2 | 179.0° | 179.7° |
| CB | CG | CD1 | NE1 | 179.0° | 179.9° |
| CB | CG | CD1 | HD1 | 1.0° | 0.1° |
| CB | CG | CD2 | CE2 | 178.9° | 180.0° |
| CB | CG | CD2 | CE3 | 0.8° | 0.8° |
| HB2 | CB | CG | CD1 | 29.4° | 29.9° |
| HB2 | CB | CG | CD2 | 151.7° | 149.7° |
| HB3 | CB | CG | CD1 | 138.9° | 149.9° |
| HB3 | CB | CG | CD2 | 42.2° | 29.7° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.4° |
| CD1 | CG | CD2 | CE3 | 179.8° | 179.5° |
| CG | CD1 | NE1 | CE2 | 0.1° | 0.1° |
| CG | CD1 | NE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.0° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | CE3 | 179.7° | 179.3° |
| CG | CD2 | CE2 | NE1 | 0.2° | 0.3° |
| CG | CD2 | CE2 | CZ2 | 179.6° | 179.8° |
| CG | CD2 | CE3 | CZ3 | 179.5° | 179.6° |
| CG | CD2 | CE3 | HE3 | 0.5° | 0.7° |
| CD1 | NE1 | CE2 | CD2 | 0.2° | 0.2° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.6° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.9° | 179.9° |
| HD1 | CD1 | NE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.9° | 179.8° |
| CD2 | CE2 | NE1 | HE1 | 179.8° | 179.7° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.6° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 179.8° |
| CD2 | CE2 | CZ2 | CH2 | 0.0° | 0.2° |
| CD2 | CE2 | CZ2 | HZ2 | 180.0° | 179.9° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 179.6° |
| CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.5° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.7° |
| CD2 | CE3 | CZ3 | CH2 | 0.1° | 0.3° |
| CD2 | CE3 | CZ3 | HZ3 | 179.9° | 179.7° |
| NE1 | CE2 | CZ2 | CH2 | 179.8° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.2° | 0.0° |
| HE1 | NE1 | CE2 | CZ2 | 0.4° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | CZ3 | 0.0° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | HH2 | 180.0° | 179.9° |
| HE3 | CE3 | CZ3 | CH2 | 179.9° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.0° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 180.0° | 179.9° |
| HZ2 | CZ2 | CH2 | HH2 | 0.0° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.0° | 0.1° |
