Obsolete: PTC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | C7 | sing | 1.51Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | HN | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.59Å | |
| CA | C7 | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 34.35Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CB | C7 | sing | 1.53Å | 1.48Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.43Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.42Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.42Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.43Å | |
| OH | P | sing | 1.61Å | 1.63Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| P | O1P | doub | 1.48Å | 1.55Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O3P | sing | 1.61Å | 1.54Å | |
| O2P | HO2 | sing | 0.97Å | 0.95Å | |
| O3P | HO3 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 123.2° | 120.1° |
| O1 | C1 | C7 | 125.1° | 120.0° |
| N1 | C1 | C7 | 111.7° | 120.0° |
| C1 | N1 | C2 | 120.7° | 119.9° |
| C1 | N1 | HN | 119.7° | 120.1° |
| C1 | C7 | CA | 106.6° | 117.5° |
| C1 | C7 | CB | 124.6° | 117.5° |
| C1 | C7 | H7 | 95.7° | 115.5° |
| C2 | N1 | HN | 119.7° | 120.0° |
| N1 | C2 | H21 | 109.5° | 109.4° |
| N1 | C2 | H22 | 109.5° | 109.5° |
| N1 | C2 | H23 | 109.4° | 109.4° |
| H21 | C2 | H22 | 109.4° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| C | CA | CB | 116.0° | 117.5° |
| C | CA | C7 | 125.2° | 117.5° |
| C | CA | HA | 89.4° | 115.6° |
| CA | C | O | 118.7° | 120.0° |
| CA | C | OXT | 33.0° | 120.0° |
| CB | CA | C7 | 57.1° | 60.0° |
| CB | CA | HA | 140.4° | 117.5° |
| CA | CB | CG | 109.1° | 117.5° |
| CA | CB | C7 | 58.5° | 60.0° |
| CA | CB | HB | 141.3° | 117.5° |
| C7 | CA | HA | 132.4° | 117.5° |
| CA | C7 | CB | 64.4° | 60.0° |
| CA | C7 | H7 | 141.3° | 117.5° |
| O | C | OXT | 125.1° | 120.0° |
| C | OXT | HXT | 33.0° | 117.0° |
| CG | CB | C7 | 121.3° | 117.5° |
| CG | CB | HB | 95.7° | 115.5° |
| CB | CG | CD1 | 125.9° | 120.0° |
| CB | CG | CD2 | 116.0° | 119.9° |
| C7 | CB | HB | 130.8° | 117.5° |
| CB | C7 | H7 | 126.0° | 117.6° |
| CD1 | CG | CD2 | 118.0° | 120.1° |
| CG | CD1 | CE1 | 118.9° | 120.1° |
| CG | CD1 | HD1 | 120.5° | 119.9° |
| CG | CD2 | CE2 | 123.0° | 120.1° |
| CG | CD2 | HD2 | 118.5° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 120.0° |
| CD1 | CE1 | CZ | 121.3° | 120.0° |
| CD1 | CE1 | HE1 | 119.3° | 120.1° |
| CE2 | CD2 | HD2 | 118.5° | 119.9° |
| CD2 | CE2 | CZ | 117.6° | 119.9° |
| CD2 | CE2 | HE2 | 121.2° | 120.0° |
| CZ | CE1 | HE1 | 119.4° | 120.0° |
| CE1 | CZ | CE2 | 121.2° | 119.9° |
| CE1 | CZ | OH | 120.2° | 120.1° |
| CZ | CE2 | HE2 | 121.2° | 120.0° |
| CE2 | CZ | OH | 118.7° | 120.0° |
| CZ | OH | P | 125.3° | 114.0° |
| OH | P | O1P | 108.2° | 109.5° |
| OH | P | O2P | 105.6° | 109.5° |
| OH | P | O3P | 102.8° | 109.5° |
| O1P | P | O2P | 114.6° | 109.5° |
| O1P | P | O3P | 109.8° | 109.5° |
| O2P | P | O3P | 114.9° | 109.5° |
| P | O2P | HO2 | 109.5° | 114.0° |
| P | O3P | HO3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C7 | 179.3° | 179.7° |
| O1 | C1 | N1 | C2 | 25.2° | 0.0° |
| O1 | C1 | N1 | HN | 154.8° | 180.0° |
| O1 | C1 | C7 | CA | 2.6° | 68.6° |
| O1 | C1 | C7 | CB | 67.4° | 0.0° |
| O1 | C1 | C7 | H7 | 150.7° | 145.8° |
| C1 | N1 | C2 | HN | 180.0° | 180.0° |
| C1 | N1 | C2 | H21 | 180.0° | 60.0° |
| C1 | N1 | C2 | H22 | 60.0° | 60.0° |
| C1 | N1 | C2 | H23 | 60.0° | 180.0° |
| N1 | C1 | C7 | CA | 178.1° | 111.1° |
| N1 | C1 | C7 | CB | 111.9° | 179.7° |
| N1 | C1 | C7 | H7 | 30.0° | 34.5° |
| C7 | C1 | N1 | C2 | 155.5° | 179.7° |
| C7 | C1 | N1 | HN | 24.5° | 0.2° |
| C1 | C7 | CA | C | 138.5° | 145.0° |
| C1 | C7 | CB | CA | 93.1° | 107.5° |
| C1 | C7 | CA | H7 | 122.5° | 144.9° |
| C1 | C7 | CA | HA | 9.7° | 0.0° |
| C1 | C7 | CB | CG | 1.2° | 0.0° |
| C1 | C7 | CB | H7 | 130.7° | 145.1° |
| C1 | C7 | CB | HB | 134.1° | 145.0° |
| N1 | C2 | H21 | H22 | 120.0° | 120.0° |
| N1 | C2 | H21 | H23 | 120.0° | 119.9° |
| N1 | C2 | H22 | H23 | 120.0° | 120.0° |
| HN | N1 | C2 | H21 | 0.0° | 120.0° |
| HN | N1 | C2 | H22 | 120.0° | 119.9° |
| HN | N1 | C2 | H23 | 120.0° | 0.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| C | CA | CB | C7 | 116.7° | 107.5° |
| C | CA | CB | HA | 124.8° | 145.0° |
| C | CA | C7 | HA | 128.8° | 145.0° |
| CA | C | O | OXT | 38.4° | 180.0° |
| C | CA | CB | CG | 127.6° | 145.0° |
| C | CA | CB | HB | 0.8° | 0.0° |
| C | CA | C7 | H7 | 16.0° | 0.1° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB | CA | C7 | HA | 130.7° | 107.5° |
| CB | CA | C | O | 39.9° | 0.0° |
| CB | CA | C | OXT | 151.2° | 180.0° |
| CA | CB | CG | C7 | 64.1° | 68.6° |
| CA | CB | CG | HB | 149.8° | 145.7° |
| CA | CB | C7 | HB | 132.8° | 107.5° |
| CA | CB | CG | CD1 | 43.8° | 171.4° |
| CA | CB | CG | CD2 | 135.4° | 8.3° |
| CB | CA | C7 | H7 | 116.5° | 107.6° |
| C7 | CA | C | O | 26.8° | 68.6° |
| C7 | CA | C | OXT | 84.5° | 111.4° |
| HA | CA | C | O | 171.6° | 145.7° |
| HA | CA | C | OXT | 60.4° | 34.3° |
| HA | CA | CB | CG | 2.8° | 0.0° |
| HA | CA | CB | HB | 124.0° | 145.0° |
| HA | CA | C7 | H7 | 112.8° | 145.0° |
| O | C | OXT | HXT | 90.4° | 0.0° |
| CG | CB | C7 | HB | 132.9° | 145.0° |
| CB | CG | CD1 | CD2 | 179.2° | 179.8° |
| CB | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.7° | 179.9° |
| CB | CG | CD2 | HD2 | 0.4° | 0.1° |
| CG | CB | C7 | H7 | 129.5° | 145.1° |
| C7 | CB | CG | CD1 | 107.8° | 119.9° |
| C7 | CB | CG | CD2 | 71.3° | 60.3° |
| HB | CB | CG | CD1 | 106.0° | 25.7° |
| HB | CB | CG | CD2 | 74.8° | 154.1° |
| HB | CB | C7 | H7 | 3.4° | 0.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.2° |
| CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.2° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.5° | 0.4° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.2° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | OH | 179.6° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.5° | 179.7° |
| CE1 | CZ | OH | P | 114.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 179.6° | 179.7° |
| HE1 | CE1 | CZ | OH | 0.8° | 0.0° |
| CE2 | CZ | OH | P | 66.3° | 89.7° |
| HE2 | CE2 | CZ | OH | 0.9° | 0.0° |
| CZ | OH | P | O1P | 79.0° | 55.0° |
| CZ | OH | P | O2P | 44.2° | 65.0° |
| CZ | OH | P | O3P | 164.9° | 175.0° |
| OH | P | O1P | O2P | 117.6° | 120.0° |
| OH | P | O1P | O3P | 111.5° | 120.0° |
| OH | P | O2P | O3P | 112.5° | 120.0° |
| OH | P | O2P | HO2 | 119.0° | 60.0° |
| OH | P | O3P | HO3 | 115.0° | 180.0° |
| O1P | P | O2P | O3P | 128.5° | 120.0° |
| O1P | P | O2P | HO2 | 0.0° | 180.0° |
| O1P | P | O3P | HO3 | 0.0° | 60.0° |
| O2P | P | O3P | HO3 | 130.8° | 60.0° |
| O3P | P | O2P | HO2 | 128.4° | 60.0° |
