PVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C2 | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | P | sing | 1.82Å | 1.61Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | CM | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.11Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | OXT | sing | 1.61Å | 1.55Å | |
| P | O3P | sing | 1.61Å | 1.55Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | CA | N | 104.2° | 109.4° |
| C2 | CA | P | 113.3° | 109.5° |
| C2 | CA | HA | 111.9° | 109.4° |
| CA | C2 | C3 | 113.6° | 109.5° |
| CA | C2 | CM | 116.3° | 109.4° |
| CA | C2 | H21 | 100.4° | 109.6° |
| N | CA | P | 113.5° | 109.5° |
| N | CA | HA | 111.8° | 109.5° |
| CA | N | H | 104.2° | 106.7° |
| CA | N | H2 | 114.2° | 106.7° |
| P | CA | HA | 102.4° | 109.4° |
| CA | P | O1P | 113.2° | 109.5° |
| CA | P | OXT | 105.5° | 109.5° |
| CA | P | O3P | 109.5° | 109.5° |
| C3 | C2 | CM | 106.3° | 109.4° |
| C3 | C2 | H21 | 111.7° | 109.5° |
| C2 | C3 | H31 | 113.5° | 109.5° |
| C2 | C3 | H32 | 110.7° | 109.5° |
| C2 | C3 | H33 | 110.7° | 109.5° |
| CM | C2 | H21 | 108.6° | 109.4° |
| C2 | CM | HM1 | 116.3° | 109.5° |
| C2 | CM | HM2 | 109.7° | 109.5° |
| C2 | CM | HM3 | 109.7° | 109.5° |
| H31 | C3 | H32 | 110.7° | 109.5° |
| H31 | C3 | H33 | 110.7° | 109.5° |
| H32 | C3 | H33 | 99.6° | 109.4° |
| HM1 | CM | HM2 | 109.7° | 109.5° |
| HM1 | CM | HM3 | 109.8° | 109.5° |
| HM2 | CM | HM3 | 100.4° | 109.5° |
| H | N | H2 | 114.2° | 106.6° |
| O1P | P | OXT | 110.9° | 109.5° |
| O1P | P | O3P | 111.9° | 109.4° |
| OXT | P | O3P | 105.4° | 109.5° |
| P | OXT | HXT | 105.5° | 106.9° |
| P | O3P | HOP3 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | CA | N | P | 123.8° | 120.1° |
| C2 | CA | N | HA | 121.1° | 119.9° |
| C2 | CA | P | HA | 120.7° | 120.0° |
| CA | C2 | C3 | CM | 129.1° | 119.9° |
| CA | C2 | C3 | H21 | 112.7° | 120.1° |
| CA | C2 | CM | H21 | 112.3° | 120.0° |
| CA | C2 | C3 | H31 | 180.0° | 180.0° |
| CA | C2 | C3 | H32 | 54.7° | 60.1° |
| CA | C2 | C3 | H33 | 54.7° | 59.9° |
| CA | C2 | CM | HM1 | 180.0° | 60.0° |
| CA | C2 | CM | HM2 | 54.7° | 60.0° |
| CA | C2 | CM | HM3 | 54.7° | 180.0° |
| C2 | CA | N | H | 180.0° | 60.0° |
| C2 | CA | N | H2 | 54.7° | 53.7° |
| C2 | CA | P | O1P | 40.5° | 60.0° |
| C2 | CA | P | OXT | 81.0° | 180.0° |
| C2 | CA | P | O3P | 166.0° | 60.0° |
| N | CA | P | HA | 120.7° | 120.0° |
| N | CA | C2 | C3 | 62.7° | 60.1° |
| N | CA | C2 | CM | 61.1° | 180.0° |
| N | CA | C2 | H21 | 178.0° | 60.0° |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | P | O1P | 159.1° | 60.0° |
| N | CA | P | OXT | 37.6° | 60.0° |
| N | CA | P | O3P | 75.3° | 180.0° |
| P | CA | C2 | C3 | 61.2° | 60.0° |
| P | CA | C2 | CM | 175.0° | 60.0° |
| P | CA | C2 | H21 | 58.1° | 179.9° |
| P | CA | N | H | 56.3° | 60.0° |
| P | CA | N | H2 | 178.5° | 173.8° |
| CA | P | O1P | OXT | 118.4° | 120.0° |
| CA | P | O1P | O3P | 124.2° | 120.0° |
| CA | P | OXT | O3P | 115.8° | 120.1° |
| CA | P | OXT | HXT | 180.0° | 180.0° |
| CA | P | O3P | HOP3 | 180.0° | 60.0° |
| HA | CA | C2 | C3 | 176.3° | 179.9° |
| HA | CA | C2 | CM | 59.9° | 60.0° |
| HA | CA | C2 | H21 | 57.0° | 60.0° |
| HA | CA | N | H | 58.9° | 180.0° |
| HA | CA | N | H2 | 66.3° | 66.2° |
| HA | CA | P | O1P | 80.2° | 179.9° |
| HA | CA | P | OXT | 158.3° | 60.1° |
| HA | CA | P | O3P | 45.3° | 60.0° |
| C3 | C2 | CM | H21 | 120.2° | 120.0° |
| C2 | C3 | H31 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H33 | 125.2° | 120.1° |
| C2 | C3 | H32 | H33 | 116.6° | 120.0° |
| C3 | C2 | CM | HM1 | 52.5° | 60.0° |
| C3 | C2 | CM | HM2 | 177.8° | 180.0° |
| C3 | C2 | CM | HM3 | 72.8° | 60.0° |
| CM | C2 | C3 | H31 | 50.9° | 60.0° |
| CM | C2 | C3 | H32 | 74.4° | 180.0° |
| CM | C2 | C3 | H33 | 176.1° | 60.0° |
| C2 | CM | HM1 | HM2 | 125.2° | 120.0° |
| C2 | CM | HM1 | HM3 | 125.3° | 120.0° |
| C2 | CM | HM2 | HM3 | 115.5° | 120.0° |
| H21 | C2 | C3 | H31 | 67.3° | 59.9° |
| H21 | C2 | C3 | H32 | 167.4° | 60.1° |
| H21 | C2 | C3 | H33 | 57.9° | 179.9° |
| H21 | C2 | CM | HM1 | 67.7° | 180.0° |
| H21 | C2 | CM | HM2 | 57.5° | 60.0° |
| H21 | C2 | CM | HM3 | 167.0° | 60.0° |
| H31 | C3 | H32 | H33 | 116.6° | 119.9° |
| HM1 | CM | HM2 | HM3 | 115.5° | 120.0° |
| O1P | P | OXT | O3P | 121.3° | 119.9° |
| O1P | P | OXT | HXT | 57.1° | 60.0° |
| O1P | P | O3P | HOP3 | 53.7° | 180.0° |
| OXT | P | O3P | HOP3 | 66.9° | 60.1° |
| O3P | P | OXT | HXT | 64.2° | 59.9° |
