PTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | P | sing | 1.82Å | 1.82Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.58Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | CM | sing | 1.82Å | 1.79Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| CM | C | sing | 1.51Å | 1.52Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 109.0° | 109.4° |
| N | CA | P | 108.4° | 109.5° |
| N | CA | HA | 111.9° | 109.4° |
| H | N | H2 | 109.5° | 110.9° |
| CB | CA | P | 113.2° | 109.4° |
| CB | CA | HA | 106.9° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| P | CA | HA | 107.5° | 109.5° |
| CA | P | O1P | 105.7° | 109.5° |
| CA | P | O2P | 106.1° | 109.5° |
| CA | P | CM | 108.6° | 109.5° |
| CG | CB | HB2 | 108.4° | 109.5° |
| CG | CB | HB3 | 108.4° | 109.4° |
| CB | CG | CD1 | 106.7° | 109.5° |
| CB | CG | CD2 | 114.6° | 109.5° |
| CB | CG | HG | 108.7° | 109.5° |
| HB2 | CB | HB3 | 110.5° | 109.5° |
| CD1 | CG | CD2 | 111.8° | 109.5° |
| CD1 | CG | HG | 111.8° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.4° | 109.4° |
| CD2 | CG | HG | 103.3° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.4° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.4° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.4° |
| O1P | P | O2P | 113.3° | 109.5° |
| O1P | P | CM | 111.1° | 109.5° |
| O2P | P | CM | 111.7° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| P | CM | C | 115.2° | 109.5° |
| P | CM | HM1 | 107.6° | 109.5° |
| P | CM | HM2 | 107.6° | 109.5° |
| C | CM | HM1 | 107.6° | 109.5° |
| C | CM | HM2 | 107.6° | 109.5° |
| CM | C | O | 121.2° | 120.0° |
| CM | C | OXT | 121.1° | 120.0° |
| HM1 | CM | HM2 | 111.3° | 109.4° |
| O | C | OXT | 116.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | P | 120.7° | 120.0° |
| N | CA | CB | HA | 121.1° | 119.9° |
| N | CA | P | HA | 121.1° | 120.0° |
| N | CA | CB | CG | 54.2° | 62.9° |
| N | CA | CB | HB2 | 65.8° | 57.2° |
| N | CA | CB | HB3 | 174.2° | 177.2° |
| N | CA | P | O1P | 55.7° | 56.8° |
| N | CA | P | O2P | 176.2° | 176.8° |
| N | CA | P | CM | 63.6° | 63.2° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | P | 56.4° | 63.9° |
| H | N | CA | HA | 62.0° | 56.1° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | P | 63.6° | 60.0° |
| H2 | N | CA | HA | 178.0° | 180.0° |
| CB | CA | P | HA | 117.9° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.7° | 120.0° |
| CA | CB | CG | CD1 | 176.5° | 174.2° |
| CA | CB | CG | CD2 | 59.2° | 65.8° |
| CA | CB | CG | HG | 55.9° | 54.2° |
| CB | CA | P | O1P | 65.3° | 63.1° |
| CB | CA | P | O2P | 55.2° | 56.9° |
| CB | CA | P | CM | 175.4° | 176.9° |
| P | CA | CB | CG | 174.9° | 177.2° |
| P | CA | CB | HB2 | 54.9° | 62.8° |
| P | CA | CB | HB3 | 65.2° | 57.2° |
| CA | P | O1P | O2P | 115.7° | 120.0° |
| CA | P | O1P | CM | 117.6° | 120.0° |
| CA | P | O2P | CM | 118.2° | 120.0° |
| CA | P | O2P | HOP2 | 115.5° | 56.0° |
| CA | P | CM | C | 82.9° | 175.0° |
| CA | P | CM | HM1 | 157.1° | 55.0° |
| CA | P | CM | HM2 | 37.1° | 65.0° |
| HA | CA | CB | CG | 66.9° | 57.1° |
| HA | CA | CB | HB2 | 173.1° | 177.1° |
| HA | CA | CB | HB3 | 53.1° | 62.8° |
| HA | CA | P | O1P | 176.8° | 176.8° |
| HA | CA | P | O2P | 62.7° | 63.2° |
| HA | CA | P | CM | 57.6° | 56.8° |
| CG | CB | HB2 | HB3 | 118.7° | 119.9° |
| CB | CG | CD1 | CD2 | 126.0° | 120.0° |
| CB | CG | CD1 | HG | 118.7° | 120.0° |
| CB | CG | CD2 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HD11 | 180.0° | 60.0° |
| CB | CG | CD1 | HD12 | 60.0° | 180.0° |
| CB | CG | CD1 | HD13 | 60.0° | 60.0° |
| CB | CG | CD2 | HD21 | 180.0° | 66.2° |
| CB | CG | CD2 | HD22 | 60.0° | 173.8° |
| CB | CG | CD2 | HD23 | 60.0° | 53.9° |
| HB2 | CB | CG | CD1 | 56.5° | 54.1° |
| HB2 | CB | CG | CD2 | 179.2° | 174.1° |
| HB2 | CB | CG | HG | 64.2° | 65.9° |
| HB3 | CB | CG | CD1 | 63.5° | 65.9° |
| HB3 | CB | CG | CD2 | 60.8° | 54.2° |
| HB3 | CB | CG | HG | 175.8° | 174.2° |
| CD1 | CG | CD2 | HG | 120.3° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 58.4° | 173.8° |
| CD1 | CG | CD2 | HD22 | 61.6° | 53.8° |
| CD1 | CG | CD2 | HD23 | 178.4° | 66.2° |
| CD2 | CG | CD1 | HD11 | 53.9° | 60.0° |
| CD2 | CG | CD1 | HD12 | 174.0° | 60.0° |
| CD2 | CG | CD1 | HD13 | 66.1° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 61.3° | 180.0° |
| HG | CG | CD1 | HD12 | 58.7° | 60.0° |
| HG | CG | CD1 | HD13 | 178.7° | 60.0° |
| HG | CG | CD2 | HD21 | 61.9° | 53.8° |
| HG | CG | CD2 | HD22 | 178.1° | 66.2° |
| HG | CG | CD2 | HD23 | 58.1° | 173.9° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| O1P | P | O2P | CM | 126.3° | 120.0° |
| O1P | P | O2P | HOP2 | 0.0° | 176.0° |
| O1P | P | CM | C | 161.3° | 55.0° |
| O1P | P | CM | HM1 | 41.3° | 65.0° |
| O1P | P | CM | HM2 | 78.7° | 175.0° |
| O2P | P | CM | C | 33.8° | 65.0° |
| O2P | P | CM | HM1 | 86.2° | 175.0° |
| O2P | P | CM | HM2 | 153.8° | 55.0° |
| CM | P | O2P | HOP2 | 126.3° | 63.9° |
| P | CM | C | HM1 | 120.0° | 120.0° |
| P | CM | C | HM2 | 120.0° | 120.0° |
| P | CM | HM1 | HM2 | 117.7° | 120.0° |
| P | CM | C | O | 70.5° | 80.0° |
| P | CM | C | OXT | 95.6° | 100.0° |
| C | CM | HM1 | HM2 | 117.7° | 120.0° |
| CM | C | O | OXT | 166.7° | 180.0° |
| CM | C | OXT | HXT | 166.8° | 180.0° |
| HM1 | CM | C | O | 169.5° | 40.0° |
| HM1 | CM | C | OXT | 24.4° | 140.0° |
| HM2 | CM | C | O | 49.5° | 160.0° |
| HM2 | CM | C | OXT | 144.4° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
