PTM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| CA | CH3 | sing | 1.54Å | 1.50Å | |
| CA | C | sing | 1.53Å | 1.55Å | |
| CA | CB | sing | 1.55Å | 1.55Å | |
| CH3 | HC31 | sing | 1.10Å | 1.10Å | |
| CH3 | HC32 | sing | 1.10Å | 1.10Å | |
| CH3 | HC33 | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.22Å | |
| C | OXT | sing | 1.36Å | 36.86Å | |
| CB | CG | sing | 1.51Å | 1.56Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.43Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.08Å | |
| CD2 | CE2 | doub | 1.39Å | 1.43Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.08Å | |
| CE2 | CZ | sing | 1.40Å | 1.42Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.44Å | |
| OH | P | sing | 1.62Å | 1.56Å | |
| P | O1P | doub | 1.50Å | 1.49Å | |
| P | O2P | sing | 1.62Å | 1.46Å | |
| P | O3P | sing | 1.62Å | 1.54Å | |
| O2P | H2P | sing | 0.98Å | 0.95Å | |
| O3P | H3P | sing | 0.98Å | 0.95Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.4° | 117.6° |
| CA | N | H2 | 109.5° | 117.5° |
| N | CA | CH3 | 110.7° | 106.4° |
| N | CA | C | 115.5° | 107.3° |
| N | CA | CB | 102.2° | 108.6° |
| H | N | H2 | 109.5° | 123.4° |
| CH3 | CA | C | 118.7° | 110.1° |
| CH3 | CA | CB | 100.7° | 112.0° |
| CA | CH3 | HC31 | 109.5° | 111.7° |
| CA | CH3 | HC32 | 109.5° | 111.4° |
| CA | CH3 | HC33 | 109.5° | 111.5° |
| C | CA | CB | 106.4° | 112.2° |
| CA | C | O | 119.2° | 124.2° |
| CA | C | OXT | 144.1° | 113.8° |
| CA | CB | CG | 117.9° | 115.5° |
| CA | CB | HB2 | 104.8° | 110.6° |
| CA | CB | HB3 | 106.8° | 109.6° |
| HC31 | CH3 | HC32 | 109.5° | 106.3° |
| HC31 | CH3 | HC33 | 109.5° | 108.0° |
| HC32 | CH3 | HC33 | 109.4° | 107.6° |
| O | C | OXT | 31.8° | 121.9° |
| C | OXT | HXT | 144.0° | 115.8° |
| CG | CB | HB2 | 104.8° | 107.7° |
| CG | CB | HB3 | 106.7° | 108.2° |
| CB | CG | CD1 | 119.6° | 119.3° |
| CB | CG | CD2 | 121.5° | 119.2° |
| HB2 | CB | HB3 | 116.4° | 104.7° |
| CD1 | CG | CD2 | 118.9° | 121.5° |
| CG | CD1 | CE1 | 120.0° | 119.2° |
| CG | CD1 | HD1 | 120.0° | 121.3° |
| CG | CD2 | CE2 | 122.2° | 119.2° |
| CG | CD2 | HD2 | 118.9° | 121.3° |
| CE1 | CD1 | HD1 | 120.0° | 119.5° |
| CD1 | CE1 | CZ | 120.4° | 120.0° |
| CD1 | CE1 | HE1 | 119.8° | 119.6° |
| CE2 | CD2 | HD2 | 118.9° | 119.5° |
| CD2 | CE2 | CZ | 115.0° | 120.0° |
| CD2 | CE2 | HE2 | 122.5° | 119.6° |
| CZ | CE1 | HE1 | 119.8° | 120.3° |
| CE1 | CZ | CE2 | 123.4° | 120.0° |
| CE1 | CZ | OH | 119.2° | 120.0° |
| CZ | CE2 | HE2 | 122.5° | 120.3° |
| CE2 | CZ | OH | 117.4° | 120.0° |
| CZ | OH | P | 123.0° | 125.2° |
| OH | P | O1P | 101.3° | 115.3° |
| OH | P | O2P | 111.2° | 104.1° |
| OH | P | O3P | 111.7° | 102.8° |
| O1P | P | O2P | 110.1° | 115.7° |
| O1P | P | O3P | 113.1° | 114.4° |
| O2P | P | O3P | 109.3° | 102.9° |
| P | O2P | H2P | 109.5° | 118.9° |
| P | O3P | H3P | 109.5° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 165.7° |
| N | CA | CH3 | C | 137.0° | 116.0° |
| N | CA | CH3 | CB | 107.5° | 118.5° |
| N | CA | C | CB | 112.6° | 119.2° |
| N | CA | CH3 | HC31 | 148.5° | 56.9° |
| N | CA | CH3 | HC32 | 28.5° | 175.7° |
| N | CA | CH3 | HC33 | 91.4° | 64.0° |
| N | CA | C | O | 137.8° | 34.6° |
| N | CA | C | OXT | 165.2° | 146.2° |
| N | CA | CB | CG | 174.8° | 178.5° |
| N | CA | CB | HB2 | 69.2° | 59.0° |
| N | CA | CB | HB3 | 54.8° | 56.0° |
| H | N | CA | CH3 | 6.4° | 47.0° |
| H | N | CA | C | 132.1° | 70.8° |
| H | N | CA | CB | 112.9° | 167.7° |
| H2 | N | CA | CH3 | 113.6° | 119.6° |
| H2 | N | CA | C | 107.9° | 122.6° |
| H2 | N | CA | CB | 7.1° | 1.1° |
| CH3 | CA | C | CB | 112.4° | 125.4° |
| CA | CH3 | HC31 | HC32 | 120.0° | 121.8° |
| CA | CH3 | HC31 | HC33 | 120.0° | 123.0° |
| CA | CH3 | HC32 | HC33 | 120.0° | 122.5° |
| CH3 | CA | C | O | 2.8° | 150.0° |
| CH3 | CA | C | OXT | 30.2° | 30.8° |
| CH3 | CA | CB | CG | 60.7° | 64.3° |
| CH3 | CA | CB | HB2 | 176.7° | 58.2° |
| CH3 | CA | CB | HB3 | 59.3° | 173.1° |
| C | CA | CH3 | HC31 | 74.5° | 59.1° |
| C | CA | CH3 | HC32 | 165.5° | 59.7° |
| C | CA | CH3 | HC33 | 45.5° | 180.0° |
| CA | C | O | OXT | 149.1° | 179.2° |
| C | CA | CB | CG | 63.7° | 60.0° |
| C | CA | CB | HB2 | 52.3° | 177.4° |
| C | CA | CB | HB3 | 176.3° | 62.5° |
| CA | C | OXT | HXT | 180.0° | 179.3° |
| CB | CA | CH3 | HC31 | 41.0° | 175.4° |
| CB | CA | CH3 | HC32 | 79.0° | 65.8° |
| CB | CA | CH3 | HC33 | 161.0° | 54.5° |
| CB | CA | C | O | 109.6° | 84.6° |
| CB | CA | C | OXT | 82.2° | 94.6° |
| CA | CB | CG | HB2 | 116.0° | 124.1° |
| CA | CB | CG | HB3 | 120.0° | 123.2° |
| CA | CB | HB2 | HB3 | 117.6° | 117.9° |
| CA | CB | CG | CD1 | 93.0° | 90.0° |
| CA | CB | CG | CD2 | 86.4° | 90.0° |
| HC31 | CH3 | HC32 | HC33 | 120.0° | 115.5° |
| O | C | OXT | HXT | 130.3° | 0.0° |
| CG | CB | HB2 | HB3 | 117.6° | 115.0° |
| CB | CG | CD1 | CD2 | 179.4° | 180.0° |
| CB | CG | CD1 | CE1 | 179.7° | 180.0° |
| CB | CG | CD1 | HD1 | 0.3° | 0.0° |
| CB | CG | CD2 | CE2 | 180.0° | 180.0° |
| CB | CG | CD2 | HD2 | 0.0° | 0.1° |
| HB2 | CB | CG | CD1 | 151.0° | 145.9° |
| HB2 | CB | CG | CD2 | 29.6° | 34.1° |
| HB3 | CB | CG | CD1 | 27.0° | 33.2° |
| HB3 | CB | CG | CD2 | 153.6° | 146.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.6° | 0.1° |
| CD1 | CG | CD2 | HD2 | 179.4° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.9° | 0.0° |
| CD2 | CG | CD1 | HD1 | 179.1° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.3° | 0.1° |
| CG | CD2 | CE2 | HE2 | 179.7° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.7° | 0.1° |
| CD1 | CE1 | CZ | OH | 178.7° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.7° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.1° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 178.5° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.7° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.3° | 0.1° |
| CE1 | CZ | CE2 | OH | 179.4° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.1° | 180.0° |
| CE1 | CZ | OH | P | 131.5° | 0.1° |
| HE1 | CE1 | CZ | CE2 | 179.4° | 180.0° |
| HE1 | CE1 | CZ | OH | 1.3° | 0.0° |
| CE2 | CZ | OH | P | 49.1° | 179.9° |
| HE2 | CE2 | CZ | OH | 1.6° | 0.0° |
| CZ | OH | P | O1P | 176.8° | 60.0° |
| CZ | OH | P | O2P | 59.9° | 67.8° |
| CZ | OH | P | O3P | 62.5° | 174.9° |
| OH | P | O1P | O2P | 117.7° | 121.8° |
| OH | P | O1P | O3P | 119.7° | 118.8° |
| OH | P | O2P | O3P | 123.8° | 106.9° |
| OH | P | O2P | H2P | 108.7° | 176.2° |
| OH | P | O3P | H3P | 50.9° | 173.2° |
| O1P | P | O2P | O3P | 124.8° | 125.5° |
| O1P | P | O2P | H2P | 139.9° | 48.6° |
| O1P | P | O3P | H3P | 62.6° | 47.5° |
| O2P | P | O3P | H3P | 174.4° | 78.8° |
| O3P | P | O2P | H2P | 15.1° | 76.8° |
