P2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | doub | 1.48Å | 1.56Å | |
| P | OP1 | sing | 1.61Å | 1.55Å | |
| P | OP2 | sing | 1.61Å | 1.66Å | |
| P | NS | sing | 1.64Å | 1.65Å | |
| OP1 | HP1 | sing | 0.97Å | 0.95Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å | |
| NS | S | doub | 1.49Å | 1.63Å | |
| S | OS | doub | 1.42Å | 1.58Å | |
| S | CD | sing | 1.81Å | 1.79Å | |
| S | CG | sing | 1.81Å | 1.70Å | |
| CD | CE | sing | 1.53Å | 1.43Å | |
| CD | HD1 | sing | 1.09Å | 1.11Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CE | C2 | sing | 1.51Å | 1.42Å | |
| CE | CF | sing | 1.53Å | 1.43Å | |
| CE | HE | sing | 1.09Å | 1.11Å | |
| C2 | O2T | doub | 1.21Å | 1.29Å | |
| C2 | O2 | sing | 1.34Å | 1.28Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CF | CH | sing | 1.53Å | 1.39Å | |
| CF | HF1 | sing | 1.09Å | 1.12Å | |
| CF | HF2 | sing | 1.09Å | 1.12Å | |
| CH | HH1 | sing | 1.09Å | 1.12Å | |
| CH | HH2 | sing | 1.09Å | 1.12Å | |
| CH | HH3 | sing | 1.09Å | 1.12Å | |
| CG | CB | sing | 1.53Å | 1.44Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CB | CA | sing | 1.53Å | 1.43Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CA | N | sing | 1.47Å | 1.36Å | |
| CA | C1 | sing | 1.51Å | 1.43Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| C1 | O1 | sing | 1.34Å | 1.28Å | |
| C1 | O1T | doub | 1.21Å | 1.28Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | P | OP1 | 108.5° | 109.5° |
| OP3 | P | OP2 | 110.3° | 109.5° |
| OP3 | P | NS | 108.6° | 109.5° |
| OP1 | P | OP2 | 110.0° | 109.4° |
| OP1 | P | NS | 106.0° | 109.5° |
| P | OP1 | HP1 | 108.5° | 106.8° |
| OP2 | P | NS | 113.2° | 109.5° |
| P | OP2 | HP2 | 110.3° | 106.8° |
| P | NS | S | 117.0° | 120.0° |
| NS | S | OS | 109.5° | 106.2° |
| NS | S | CD | 111.6° | 106.8° |
| NS | S | CG | 103.8° | 106.8° |
| OS | S | CD | 107.9° | 115.3° |
| OS | S | CG | 113.3° | 115.3° |
| CD | S | CG | 110.7° | 106.0° |
| S | CD | CE | 118.9° | 109.5° |
| S | CD | HD1 | 108.8° | 109.4° |
| S | CD | HD2 | 108.8° | 109.5° |
| S | CG | CB | 116.9° | 109.5° |
| S | CG | HG1 | 109.5° | 109.5° |
| S | CG | HG2 | 109.5° | 109.4° |
| CE | CD | HD1 | 108.8° | 109.5° |
| CE | CD | HD2 | 108.8° | 109.5° |
| CD | CE | C2 | 115.1° | 109.4° |
| CD | CE | CF | 111.9° | 109.4° |
| CD | CE | HE | 102.9° | 109.5° |
| HD1 | CD | HD2 | 101.2° | 109.5° |
| C2 | CE | CF | 106.6° | 109.5° |
| C2 | CE | HE | 108.5° | 109.5° |
| CE | C2 | O2T | 121.3° | 120.0° |
| CE | C2 | O2 | 119.4° | 120.0° |
| CF | CE | HE | 111.9° | 109.5° |
| CE | CF | CH | 107.6° | 109.4° |
| CE | CF | HF1 | 112.9° | 109.5° |
| CE | CF | HF2 | 112.9° | 109.5° |
| O2T | C2 | O2 | 119.2° | 120.0° |
| C2 | O2 | HO2 | 119.4° | 120.0° |
| CH | CF | HF1 | 112.9° | 109.4° |
| CH | CF | HF2 | 112.9° | 109.5° |
| CF | CH | HH1 | 112.9° | 109.4° |
| CF | CH | HH2 | 107.6° | 109.5° |
| CF | CH | HH3 | 112.9° | 109.4° |
| HF1 | CF | HF2 | 97.6° | 109.5° |
| HH1 | CH | HH2 | 112.9° | 109.5° |
| HH1 | CH | HH3 | 97.6° | 109.5° |
| HH2 | CH | HH3 | 112.9° | 109.5° |
| CB | CG | HG1 | 109.5° | 109.5° |
| CB | CG | HG2 | 109.5° | 109.4° |
| CG | CB | CA | 108.7° | 109.4° |
| CG | CB | HB1 | 112.5° | 109.5° |
| CG | CB | HB2 | 112.5° | 109.5° |
| HG1 | CG | HG2 | 100.7° | 109.5° |
| CA | CB | HB1 | 112.5° | 109.5° |
| CA | CB | HB2 | 112.5° | 109.5° |
| CB | CA | N | 113.5° | 109.5° |
| CB | CA | C1 | 110.3° | 109.5° |
| CB | CA | HA | 105.5° | 109.5° |
| HB1 | CB | HB2 | 98.0° | 109.5° |
| N | CA | C1 | 107.3° | 109.4° |
| N | CA | HA | 108.6° | 109.5° |
| CA | N | HN1 | 110.8° | 106.7° |
| CA | N | HN2 | 113.5° | 106.8° |
| C1 | CA | HA | 111.9° | 109.4° |
| CA | C1 | O1 | 120.6° | 120.0° |
| CA | C1 | O1T | 119.7° | 120.0° |
| HN1 | N | HN2 | 110.7° | 106.7° |
| O1 | C1 | O1T | 119.7° | 120.0° |
| C1 | O1 | HO1 | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 120.7° | 120.0° |
| OP3 | P | OP1 | NS | 116.5° | 120.0° |
| OP3 | P | OP2 | NS | 121.9° | 120.0° |
| OP3 | P | OP1 | HP1 | 180.0° | 174.9° |
| OP3 | P | OP2 | HP2 | 180.0° | 60.0° |
| OP3 | P | NS | S | 107.8° | 56.0° |
| OP1 | P | OP2 | NS | 118.4° | 120.0° |
| OP1 | P | OP2 | HP2 | 60.3° | 60.0° |
| OP1 | P | NS | S | 135.8° | 64.1° |
| OP2 | P | OP1 | HP1 | 59.3° | 55.0° |
| OP2 | P | NS | S | 15.1° | 176.0° |
| NS | P | OP1 | HP1 | 63.5° | 65.0° |
| NS | P | OP2 | HP2 | 58.1° | 180.0° |
| P | NS | S | OS | 52.7° | 2.5° |
| P | NS | S | CD | 66.8° | 126.0° |
| P | NS | S | CG | 173.9° | 121.0° |
| NS | S | OS | CD | 121.7° | 118.0° |
| NS | S | OS | CG | 115.4° | 118.0° |
| NS | S | CD | CG | 115.1° | 113.6° |
| NS | S | CD | CE | 176.5° | 61.6° |
| NS | S | CD | HD1 | 51.2° | 178.4° |
| NS | S | CD | HD2 | 58.2° | 58.4° |
| NS | S | CG | CB | 58.7° | 66.4° |
| NS | S | CG | HG1 | 176.1° | 173.6° |
| NS | S | CG | HG2 | 66.6° | 53.5° |
| OS | S | CD | CG | 124.5° | 128.8° |
| OS | S | CD | CE | 56.1° | 56.0° |
| OS | S | CD | HD1 | 69.2° | 64.0° |
| OS | S | CD | HD2 | 178.6° | 176.0° |
| OS | S | CG | CB | 60.0° | 51.2° |
| OS | S | CG | HG1 | 65.2° | 68.8° |
| OS | S | CG | HG2 | 174.7° | 171.2° |
| S | CD | CE | HD1 | 125.3° | 120.0° |
| S | CD | CE | HD2 | 125.3° | 120.0° |
| S | CD | HD1 | HD2 | 114.5° | 120.0° |
| S | CD | CE | C2 | 109.0° | 171.5° |
| S | CD | CE | CF | 129.1° | 68.5° |
| S | CD | CE | HE | 8.8° | 51.5° |
| CD | S | CG | CB | 178.6° | 180.0° |
| CD | S | CG | HG1 | 56.2° | 60.0° |
| CD | S | CG | HG2 | 53.3° | 60.0° |
| CG | S | CD | CE | 68.4° | 175.2° |
| CG | S | CD | HD1 | 166.3° | 64.8° |
| CG | S | CD | HD2 | 56.9° | 55.2° |
| S | CG | CB | HG1 | 125.2° | 120.0° |
| S | CG | CB | HG2 | 125.3° | 119.9° |
| S | CG | HG1 | HG2 | 115.3° | 120.0° |
| S | CG | CB | CA | 170.6° | 180.0° |
| S | CG | CB | HB1 | 64.2° | 60.0° |
| S | CG | CB | HB2 | 45.3° | 60.1° |
| CE | CD | HD1 | HD2 | 114.5° | 120.0° |
| CD | CE | C2 | CF | 124.7° | 120.0° |
| CD | CE | C2 | HE | 114.6° | 120.0° |
| CD | CE | CF | HE | 114.9° | 120.0° |
| CD | CE | C2 | O2T | 11.8° | 0.0° |
| CD | CE | C2 | O2 | 164.1° | 180.0° |
| CD | CE | CF | CH | 68.4° | 172.9° |
| CD | CE | CF | HF1 | 56.8° | 67.1° |
| CD | CE | CF | HF2 | 166.3° | 52.9° |
| HD1 | CD | CE | C2 | 16.2° | 51.6° |
| HD1 | CD | CE | CF | 105.6° | 171.6° |
| HD1 | CD | CE | HE | 134.1° | 68.5° |
| HD2 | CD | CE | C2 | 125.7° | 68.5° |
| HD2 | CD | CE | CF | 3.8° | 51.5° |
| HD2 | CD | CE | HE | 116.5° | 171.5° |
| C2 | CE | CF | HE | 118.5° | 120.0° |
| CE | C2 | O2T | O2 | 175.9° | 180.0° |
| CE | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | CE | CF | CH | 58.2° | 67.1° |
| C2 | CE | CF | HF1 | 176.6° | 52.8° |
| C2 | CE | CF | HF2 | 67.1° | 172.9° |
| CF | CE | C2 | O2T | 112.9° | 119.9° |
| CF | CE | C2 | O2 | 71.3° | 60.0° |
| CE | CF | CH | HF1 | 125.2° | 120.0° |
| CE | CF | CH | HF2 | 125.3° | 120.0° |
| CE | CF | HF1 | HF2 | 118.8° | 120.1° |
| CE | CF | CH | HH1 | 54.8° | 60.0° |
| CE | CF | CH | HH2 | 180.0° | 60.0° |
| CE | CF | CH | HH3 | 54.7° | 180.0° |
| HE | CE | C2 | O2T | 126.4° | 120.0° |
| HE | CE | C2 | O2 | 49.5° | 60.0° |
| HE | CE | CF | CH | 176.7° | 52.9° |
| HE | CE | CF | HF1 | 58.1° | 172.9° |
| HE | CE | CF | HF2 | 51.4° | 67.1° |
| O2T | C2 | O2 | HO2 | 4.1° | 0.0° |
| CH | CF | HF1 | HF2 | 118.9° | 120.0° |
| CF | CH | HH1 | HH2 | 122.3° | 120.0° |
| CF | CH | HH1 | HH3 | 118.9° | 119.9° |
| CF | CH | HH2 | HH3 | 125.3° | 120.0° |
| HF1 | CF | CH | HH1 | 180.0° | 59.9° |
| HF1 | CF | CH | HH2 | 54.8° | 180.0° |
| HF1 | CF | CH | HH3 | 70.5° | 60.0° |
| HF2 | CF | CH | HH1 | 70.5° | 179.9° |
| HF2 | CF | CH | HH2 | 54.7° | 60.0° |
| HF2 | CF | CH | HH3 | 180.0° | 60.0° |
| HH1 | CH | HH2 | HH3 | 109.5° | 120.0° |
| CB | CG | HG1 | HG2 | 115.3° | 120.0° |
| CG | CB | CA | HB1 | 125.2° | 120.0° |
| CG | CB | CA | HB2 | 125.3° | 120.0° |
| CG | CB | HB1 | HB2 | 118.4° | 120.0° |
| CG | CB | CA | N | 59.4° | 65.0° |
| CG | CB | CA | C1 | 179.7° | 175.0° |
| CG | CB | CA | HA | 59.4° | 55.0° |
| HG1 | CG | CB | CA | 45.4° | 60.0° |
| HG1 | CG | CB | HB1 | 170.6° | 180.0° |
| HG1 | CG | CB | HB2 | 79.9° | 60.0° |
| HG2 | CG | CB | CA | 64.1° | 60.0° |
| HG2 | CG | CB | HB1 | 61.1° | 60.0° |
| HG2 | CG | CB | HB2 | 170.6° | 180.0° |
| CA | CB | HB1 | HB2 | 118.4° | 120.0° |
| CB | CA | N | C1 | 122.0° | 120.0° |
| CB | CA | N | HA | 116.9° | 120.1° |
| CB | CA | C1 | HA | 117.0° | 120.0° |
| CB | CA | N | HN1 | 54.7° | 173.8° |
| CB | CA | N | HN2 | 180.0° | 60.0° |
| CB | CA | C1 | O1 | 28.6° | 80.0° |
| CB | CA | C1 | O1T | 153.7° | 100.0° |
| HB1 | CB | CA | N | 65.9° | 175.0° |
| HB1 | CB | CA | C1 | 54.5° | 55.0° |
| HB1 | CB | CA | HA | 175.4° | 64.9° |
| HB2 | CB | CA | N | 175.3° | 54.9° |
| HB2 | CB | CA | C1 | 55.0° | 65.0° |
| HB2 | CB | CA | HA | 65.9° | 175.0° |
| N | CA | C1 | HA | 119.0° | 120.0° |
| CA | N | HN1 | HN2 | 126.8° | 113.9° |
| N | CA | C1 | O1 | 152.6° | 160.0° |
| N | CA | C1 | O1T | 29.7° | 20.0° |
| C1 | CA | N | HN1 | 176.7° | 53.8° |
| C1 | CA | N | HN2 | 58.0° | 60.0° |
| CA | C1 | O1 | O1T | 177.7° | 179.9° |
| CA | C1 | O1 | HO1 | 180.0° | 179.9° |
| HA | CA | N | HN1 | 62.2° | 66.2° |
| HA | CA | N | HN2 | 63.1° | 180.0° |
| HA | CA | C1 | O1 | 88.4° | 40.1° |
| HA | CA | C1 | O1T | 89.3° | 140.0° |
| O1T | C1 | O1 | HO1 | 2.3° | 0.0° |
