PTR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | OH | sing | 1.36Å | 1.44Å | |
| OH | P | sing | 1.61Å | 1.52Å | |
| P | O1P | doub | 1.48Å | 1.45Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| P | O3P | sing | 1.61Å | 1.47Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 108.2° | 106.7° |
| CA | N | H2 | 112.7° | 106.8° |
| N | CA | C | 108.2° | 109.5° |
| N | CA | CB | 110.0° | 109.5° |
| N | CA | HA | 110.7° | 109.4° |
| H | N | H2 | 112.6° | 106.7° |
| C | CA | CB | 111.4° | 109.5° |
| C | CA | HA | 109.2° | 109.4° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | OXT | 117.6° | 120.0° |
| CB | CA | HA | 107.3° | 109.5° |
| CA | CB | CG | 115.7° | 109.5° |
| CA | CB | HB2 | 109.9° | 109.5° |
| CA | CB | HB3 | 109.9° | 109.4° |
| O | C | OXT | 123.9° | 120.0° |
| C | OXT | HXT | 117.5° | 120.0° |
| CG | CB | HB2 | 110.0° | 109.5° |
| CG | CB | HB3 | 110.0° | 109.5° |
| CB | CG | CD1 | 120.8° | 119.9° |
| CB | CG | CD2 | 120.8° | 119.9° |
| HB2 | CB | HB3 | 100.2° | 109.5° |
| CD1 | CG | CD2 | 118.3° | 120.1° |
| CG | CD1 | CE1 | 121.1° | 120.0° |
| CG | CD1 | HD1 | 119.0° | 120.0° |
| CG | CD2 | CE2 | 121.6° | 120.0° |
| CG | CD2 | HD2 | 119.0° | 120.0° |
| CE1 | CD1 | HD1 | 119.8° | 120.0° |
| CD1 | CE1 | CZ | 119.4° | 119.9° |
| CD1 | CE1 | HE1 | 120.3° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | CZ | 119.2° | 119.9° |
| CD2 | CE2 | HE2 | 120.9° | 120.1° |
| CZ | CE1 | HE1 | 120.2° | 120.1° |
| CE1 | CZ | CE2 | 120.4° | 119.9° |
| CE1 | CZ | OH | 118.5° | 120.0° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CE2 | CZ | OH | 121.1° | 120.0° |
| CZ | OH | P | 125.9° | 106.8° |
| OH | P | O1P | 113.4° | 109.4° |
| OH | P | O2P | 98.3° | 109.5° |
| OH | P | O3P | 109.6° | 109.5° |
| O1P | P | O2P | 111.2° | 109.4° |
| O1P | P | O3P | 113.3° | 109.4° |
| O2P | P | O3P | 110.0° | 109.5° |
| P | O2P | HO2P | 98.2° | 106.9° |
| P | O3P | HO3P | 109.6° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | C | CB | 121.0° | 120.0° |
| N | CA | C | HA | 120.5° | 119.9° |
| N | CA | CB | HA | 120.5° | 120.0° |
| N | CA | C | O | 169.1° | 30.1° |
| N | CA | C | OXT | 9.8° | 150.0° |
| N | CA | CB | CG | 68.4° | 60.0° |
| N | CA | CB | HB2 | 166.3° | 60.0° |
| N | CA | CB | HB3 | 56.9° | 180.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 58.0° | 60.0° |
| H | N | CA | HA | 60.4° | 180.0° |
| H2 | N | CA | C | 54.8° | 173.8° |
| H2 | N | CA | CB | 67.2° | 53.8° |
| H2 | N | CA | HA | 174.4° | 66.3° |
| C | CA | CB | HA | 119.5° | 120.0° |
| CA | C | O | OXT | 178.8° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG | 51.6° | 180.0° |
| C | CA | CB | HB2 | 73.7° | 60.0° |
| C | CA | CB | HB3 | 177.0° | 60.0° |
| CB | CA | C | O | 69.8° | 90.0° |
| CB | CA | C | OXT | 111.3° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.7° | 120.0° |
| CA | CB | CG | CD1 | 93.5° | 90.0° |
| CA | CB | CG | CD2 | 90.7° | 90.3° |
| HA | CA | C | O | 48.6° | 150.0° |
| HA | CA | C | OXT | 130.3° | 30.0° |
| HA | CA | CB | CG | 171.2° | 60.0° |
| HA | CA | CB | HB2 | 45.9° | 180.0° |
| HA | CA | CB | HB3 | 63.5° | 60.0° |
| O | C | OXT | HXT | 1.2° | 0.0° |
| CG | CB | HB2 | HB3 | 115.8° | 120.0° |
| CB | CG | CD1 | CD2 | 175.9° | 179.6° |
| CB | CG | CD1 | CE1 | 175.3° | 179.9° |
| CB | CG | CD1 | HD1 | 4.7° | 0.0° |
| CB | CG | CD2 | CE2 | 175.2° | 179.7° |
| CB | CG | CD2 | HD2 | 4.8° | 0.4° |
| HB2 | CB | CG | CD1 | 141.2° | 30.0° |
| HB2 | CB | CG | CD2 | 34.6° | 149.6° |
| HB3 | CB | CG | CD1 | 31.8° | 150.0° |
| HB3 | CB | CG | CD2 | 144.0° | 29.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.7° | 0.7° |
| CD1 | CG | CD2 | HD2 | 179.3° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.6° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.4° | 179.6° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.7° |
| CG | CD2 | CE2 | HE2 | 179.8° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.0° |
| CD1 | CE1 | CZ | OH | 177.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | OH | 177.9° | 179.7° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.3° |
| CE1 | CZ | CE2 | OH | 178.2° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| CE1 | CZ | OH | P | 114.5° | 89.9° |
| HE1 | CE1 | CZ | CE2 | 179.6° | 179.9° |
| HE1 | CE1 | CZ | OH | 2.1° | 0.1° |
| CE2 | CZ | OH | P | 63.8° | 90.1° |
| HE2 | CE2 | CZ | OH | 2.1° | 0.0° |
| CZ | OH | P | O1P | 50.4° | 60.0° |
| CZ | OH | P | O2P | 167.9° | 179.9° |
| CZ | OH | P | O3P | 77.3° | 59.9° |
| OH | P | O1P | O2P | 109.7° | 120.0° |
| OH | P | O1P | O3P | 125.8° | 120.0° |
| OH | P | O2P | O3P | 114.4° | 120.1° |
| OH | P | O2P | HO2P | 180.0° | 180.0° |
| OH | P | O3P | HO3P | 180.0° | 60.1° |
| O1P | P | O2P | O3P | 126.4° | 120.0° |
| O1P | P | O2P | HO2P | 60.9° | 60.1° |
| O1P | P | O3P | HO3P | 52.2° | 180.0° |
| O2P | P | O3P | HO3P | 73.0° | 60.1° |
| O3P | P | O2P | HO2P | 65.6° | 59.9° |
