P3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3A | PA | sing | 1.61Å | 1.51Å | |
| O3A | HO3 | sing | 0.97Å | 0.95Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | NE | sing | 1.64Å | 1.68Å | |
| O2A | HO2 | sing | 0.97Å | 0.95Å | |
| NE | SD | doub | 1.49Å | 1.54Å | |
| SD | OE | doub | 1.42Å | 1.46Å | |
| SD | CE | sing | 1.81Å | 1.76Å | |
| SD | CG | sing | 1.81Å | 1.79Å | |
| CE | HEC1 | sing | 1.09Å | 1.12Å | |
| CE | HEC2 | sing | 1.09Å | 1.11Å | |
| CE | HEC3 | sing | 1.09Å | 1.12Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | HGC1 | sing | 1.09Å | 1.12Å | |
| CG | HGC2 | sing | 1.09Å | 1.11Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HBC1 | sing | 1.09Å | 1.11Å | |
| CB | HBC2 | sing | 1.09Å | 1.11Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| C | OT | sing | 1.34Å | 1.25Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| OT | HT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PA | O3A | HO3 | 115.0° | 106.8° |
| O3A | PA | O1A | 115.0° | 109.5° |
| O3A | PA | O2A | 112.6° | 109.4° |
| O3A | PA | NE | 107.7° | 109.5° |
| O1A | PA | O2A | 113.4° | 109.5° |
| O1A | PA | NE | 101.3° | 109.5° |
| O2A | PA | NE | 105.5° | 109.5° |
| PA | O2A | HO2 | 112.5° | 106.8° |
| PA | NE | SD | 124.5° | 120.0° |
| NE | SD | OE | 119.9° | 106.2° |
| NE | SD | CE | 106.9° | 106.8° |
| NE | SD | CG | 108.7° | 106.8° |
| OE | SD | CE | 109.0° | 115.3° |
| OE | SD | CG | 107.2° | 115.3° |
| CE | SD | CG | 104.2° | 106.0° |
| SD | CE | HEC1 | 106.9° | 109.5° |
| SD | CE | HEC2 | 113.1° | 109.5° |
| SD | CE | HEC3 | 113.2° | 109.5° |
| SD | CG | CB | 113.4° | 109.5° |
| SD | CG | HGC1 | 110.8° | 109.5° |
| SD | CG | HGC2 | 110.8° | 109.5° |
| HEC1 | CE | HEC2 | 113.2° | 109.5° |
| HEC1 | CE | HEC3 | 113.2° | 109.4° |
| HEC2 | CE | HEC3 | 97.3° | 109.4° |
| CB | CG | HGC1 | 110.7° | 109.4° |
| CB | CG | HGC2 | 110.7° | 109.4° |
| CG | CB | CA | 112.3° | 109.6° |
| CG | CB | HBC1 | 111.2° | 109.5° |
| CG | CB | HBC2 | 111.2° | 109.5° |
| HGC1 | CG | HGC2 | 99.6° | 109.5° |
| CA | CB | HBC1 | 111.2° | 109.4° |
| CA | CB | HBC2 | 111.2° | 109.5° |
| CB | CA | N | 109.5° | 109.4° |
| CB | CA | C | 111.0° | 109.6° |
| CB | CA | HA | 109.3° | 109.5° |
| HBC1 | CB | HBC2 | 99.2° | 109.4° |
| N | CA | C | 108.3° | 109.4° |
| N | CA | HA | 109.3° | 109.4° |
| CA | N | HN1 | 97.5° | 106.7° |
| CA | N | HN2 | 97.4° | 106.6° |
| C | CA | HA | 109.3° | 109.5° |
| CA | C | OT | 120.3° | 120.0° |
| CA | C | O | 117.7° | 120.0° |
| HN1 | N | HN2 | 108.1° | 106.7° |
| OT | C | O | 122.0° | 120.0° |
| C | OT | HT | 120.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3A | PA | O1A | O2A | 131.6° | 120.0° |
| O3A | PA | O1A | NE | 115.9° | 120.0° |
| O3A | PA | O2A | NE | 117.2° | 120.0° |
| O3A | PA | O2A | HO2 | 180.0° | 60.0° |
| O3A | PA | NE | SD | 25.7° | 180.0° |
| HO3 | O3A | PA | O1A | 180.0° | 60.0° |
| HO3 | O3A | PA | O2A | 48.0° | 60.0° |
| HO3 | O3A | PA | NE | 67.9° | 180.0° |
| O1A | PA | O2A | NE | 110.0° | 120.0° |
| O1A | PA | O2A | HO2 | 47.2° | 180.0° |
| O1A | PA | NE | SD | 146.8° | 60.0° |
| O2A | PA | NE | SD | 94.7° | 60.0° |
| NE | PA | O2A | HO2 | 62.8° | 60.0° |
| PA | NE | SD | OE | 52.6° | 56.5° |
| PA | NE | SD | CE | 71.9° | 67.0° |
| PA | NE | SD | CG | 176.2° | 180.0° |
| NE | SD | OE | CE | 123.5° | 118.0° |
| NE | SD | OE | CG | 124.3° | 118.0° |
| NE | SD | CE | CG | 115.0° | 113.6° |
| NE | SD | CE | HEC1 | 180.0° | 62.3° |
| NE | SD | CE | HEC2 | 54.7° | 177.6° |
| NE | SD | CE | HEC3 | 54.7° | 57.6° |
| NE | SD | CG | CB | 64.6° | 180.0° |
| NE | SD | CG | HGC1 | 170.2° | 60.0° |
| NE | SD | CG | HGC2 | 60.7° | 60.0° |
| OE | SD | CE | CG | 114.1° | 128.8° |
| OE | SD | CE | HEC1 | 49.1° | 180.0° |
| OE | SD | CE | HEC2 | 76.2° | 59.9° |
| OE | SD | CE | HEC3 | 174.4° | 60.1° |
| OE | SD | CG | CB | 66.3° | 62.3° |
| OE | SD | CG | HGC1 | 58.9° | 177.7° |
| OE | SD | CG | HGC2 | 168.4° | 57.7° |
| SD | CE | HEC1 | HEC2 | 125.3° | 120.1° |
| SD | CE | HEC1 | HEC3 | 125.3° | 120.0° |
| SD | CE | HEC2 | HEC3 | 119.1° | 120.0° |
| CE | SD | CG | CB | 178.3° | 66.4° |
| CE | SD | CG | HGC1 | 56.4° | 53.6° |
| CE | SD | CG | HGC2 | 53.0° | 173.6° |
| CG | SD | CE | HEC1 | 65.0° | 51.3° |
| CG | SD | CE | HEC2 | 169.7° | 68.8° |
| CG | SD | CE | HEC3 | 60.2° | 171.2° |
| SD | CG | CB | HGC1 | 125.3° | 120.0° |
| SD | CG | CB | HGC2 | 125.3° | 120.0° |
| SD | CG | HGC1 | HGC2 | 116.6° | 120.0° |
| SD | CG | CB | CA | 175.8° | 180.0° |
| SD | CG | CB | HBC1 | 58.9° | 60.0° |
| SD | CG | CB | HBC2 | 50.6° | 59.9° |
| HEC1 | CE | HEC2 | HEC3 | 119.1° | 119.9° |
| CB | CG | HGC1 | HGC2 | 116.6° | 119.9° |
| CG | CB | CA | HBC1 | 125.3° | 120.0° |
| CG | CB | CA | HBC2 | 125.3° | 120.1° |
| CG | CB | HBC1 | HBC2 | 117.1° | 120.0° |
| CG | CB | CA | N | 58.5° | 60.0° |
| CG | CB | CA | C | 178.1° | 180.0° |
| CG | CB | CA | HA | 61.3° | 59.9° |
| HGC1 | CG | CB | CA | 50.5° | 60.0° |
| HGC1 | CG | CB | HBC1 | 175.8° | 180.0° |
| HGC1 | CG | CB | HBC2 | 74.7° | 60.1° |
| HGC2 | CG | CB | CA | 58.9° | 59.9° |
| HGC2 | CG | CB | HBC1 | 66.3° | 60.0° |
| HGC2 | CG | CB | HBC2 | 175.8° | 180.0° |
| CA | CB | HBC1 | HBC2 | 117.0° | 119.9° |
| CB | CA | N | C | 121.2° | 120.1° |
| CB | CA | N | HA | 119.8° | 120.0° |
| CB | CA | C | HA | 120.7° | 120.1° |
| CB | CA | N | HN1 | 155.7° | 60.0° |
| CB | CA | N | HN2 | 46.2° | 53.8° |
| CB | CA | C | OT | 7.2° | 89.9° |
| CB | CA | C | O | 172.4° | 89.9° |
| HBC1 | CB | CA | N | 66.8° | 180.0° |
| HBC1 | CB | CA | C | 52.8° | 60.0° |
| HBC1 | CB | CA | HA | 173.4° | 60.1° |
| HBC2 | CB | CA | N | 176.2° | 60.1° |
| HBC2 | CB | CA | C | 56.7° | 59.9° |
| HBC2 | CB | CA | HA | 64.0° | 180.0° |
| N | CA | C | HA | 119.0° | 119.9° |
| CA | N | HN1 | HN2 | 100.4° | 113.7° |
| N | CA | C | OT | 127.5° | 150.1° |
| N | CA | C | O | 52.1° | 30.1° |
| C | CA | N | HN1 | 83.1° | 60.0° |
| C | CA | N | HN2 | 167.4° | 173.8° |
| CA | C | OT | O | 179.6° | 179.8° |
| CA | C | OT | HT | 179.9° | 180.0° |
| HA | CA | N | HN1 | 35.9° | 180.0° |
| HA | CA | N | HN2 | 73.5° | 66.2° |
| HA | CA | C | OT | 113.5° | 30.2° |
| HA | CA | C | O | 66.9° | 150.0° |
| O | C | OT | HT | 0.3° | 0.2° |
