PAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | HD1 | sing | 1.09Å | 1.11Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| NE | C1 | sing | 1.35Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C1P | sing | 1.51Å | 1.52Å | |
| C1P | P | sing | 1.82Å | 1.81Å | |
| C1P | HP1 | sing | 1.09Å | 1.11Å | |
| C1P | HP2 | sing | 1.09Å | 1.11Å | |
| P | O1P | doub | 1.48Å | 1.60Å | |
| P | O2P | sing | 1.61Å | 1.59Å | |
| P | O3P | sing | 1.61Å | 1.59Å | |
| O2P | HOP2 | 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) |
| CA | N | HN1 | 108.5° | 106.7° |
| CA | N | HN2 | 112.5° | 106.7° |
| N | CA | CB | 108.6° | 109.5° |
| N | CA | C | 107.8° | 109.4° |
| N | CA | HA | 111.9° | 109.4° |
| HN1 | N | HN2 | 112.6° | 106.7° |
| CB | CA | C | 111.4° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | CG | 115.5° | 109.5° |
| CA | CB | HB1 | 110.1° | 109.5° |
| CA | CB | HB2 | 110.0° | 109.4° |
| C | CA | HA | 109.0° | 109.5° |
| CA | C | O | 118.7° | 120.1° |
| CA | C | OXT | 118.5° | 120.0° |
| CG | CB | HB1 | 110.0° | 109.5° |
| CG | CB | HB2 | 110.0° | 109.5° |
| CB | CG | CD | 111.1° | 109.5° |
| CB | CG | HG1 | 111.7° | 109.5° |
| CB | CG | HG2 | 111.7° | 109.5° |
| HB1 | CB | HB2 | 100.2° | 109.5° |
| CD | CG | HG1 | 111.6° | 109.5° |
| CD | CG | HG2 | 111.6° | 109.5° |
| CG | CD | NE | 110.4° | 109.5° |
| CG | CD | HD1 | 111.9° | 109.5° |
| CG | CD | HD2 | 111.9° | 109.5° |
| HG1 | CG | HG2 | 98.7° | 109.4° |
| NE | CD | HD1 | 111.9° | 109.5° |
| NE | CD | HD2 | 111.8° | 109.4° |
| CD | NE | C1 | 123.4° | 120.0° |
| CD | NE | HNE | 122.8° | 120.0° |
| HD1 | CD | HD2 | 98.6° | 109.4° |
| C1 | NE | HNE | 113.8° | 120.0° |
| NE | C1 | O1 | 124.1° | 120.0° |
| NE | C1 | C1P | 113.7° | 120.0° |
| O | C | OXT | 122.8° | 120.0° |
| C | OXT | HXT | 118.5° | 120.0° |
| O1 | C1 | C1P | 122.1° | 120.0° |
| C1 | C1P | P | 108.6° | 109.5° |
| C1 | C1P | HP1 | 112.5° | 109.5° |
| C1 | C1P | HP2 | 112.5° | 109.5° |
| P | C1P | HP1 | 112.5° | 109.5° |
| P | C1P | HP2 | 112.5° | 109.5° |
| C1P | P | O1P | 110.1° | 109.4° |
| C1P | P | O2P | 109.8° | 109.5° |
| C1P | P | O3P | 109.2° | 109.5° |
| HP1 | C1P | HP2 | 98.0° | 109.5° |
| O1P | P | O2P | 108.9° | 109.5° |
| O1P | P | O3P | 109.1° | 109.4° |
| O2P | P | O3P | 109.8° | 109.5° |
| P | O2P | HOP2 | 109.8° | 106.9° |
| P | O3P | HOP3 | 109.2° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.3° | 113.8° |
| N | CA | CB | C | 118.6° | 120.0° |
| N | CA | CB | HA | 121.7° | 120.0° |
| N | CA | C | HA | 121.6° | 119.9° |
| N | CA | CB | CG | 171.3° | 60.0° |
| N | CA | CB | HB1 | 46.0° | 60.0° |
| N | CA | CB | HB2 | 63.5° | 180.0° |
| N | CA | C | O | 132.2° | 30.0° |
| N | CA | C | OXT | 46.3° | 150.0° |
| HN1 | N | CA | CB | 180.0° | 53.8° |
| HN1 | N | CA | C | 59.1° | 173.8° |
| HN1 | N | CA | HA | 60.7° | 66.2° |
| HN2 | N | CA | CB | 54.7° | 60.0° |
| HN2 | N | CA | C | 175.6° | 60.0° |
| HN2 | N | CA | HA | 64.6° | 180.0° |
| CB | CA | C | HA | 119.3° | 120.1° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 115.9° | 120.0° |
| CA | CB | CG | CD | 177.1° | 180.0° |
| CA | CB | CG | HG1 | 51.8° | 60.0° |
| CA | CB | CG | HG2 | 57.6° | 60.0° |
| CB | CA | C | O | 108.7° | 90.0° |
| CB | CA | C | OXT | 72.8° | 90.0° |
| C | CA | CB | CG | 70.2° | 180.0° |
| C | CA | CB | HB1 | 164.6° | 60.0° |
| C | CA | CB | HB2 | 55.1° | 60.1° |
| CA | C | O | OXT | 178.4° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| HA | CA | CB | CG | 49.6° | 60.0° |
| HA | CA | CB | HB1 | 75.6° | 180.0° |
| HA | CA | CB | HB2 | 174.9° | 60.0° |
| HA | CA | C | O | 10.6° | 150.0° |
| HA | CA | C | OXT | 167.9° | 30.1° |
| CG | CB | HB1 | HB2 | 115.8° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 117.6° | 120.0° |
| CB | CG | CD | NE | 162.1° | 180.0° |
| CB | CG | CD | HD1 | 36.8° | 60.0° |
| CB | CG | CD | HD2 | 72.7° | 60.0° |
| HB1 | CB | CG | CD | 57.6° | 60.0° |
| HB1 | CB | CG | HG1 | 177.1° | 180.0° |
| HB1 | CB | CG | HG2 | 67.6° | 60.0° |
| HB2 | CB | CG | CD | 51.8° | 60.0° |
| HB2 | CB | CG | HG1 | 73.4° | 60.0° |
| HB2 | CB | CG | HG2 | 177.1° | 179.9° |
| CD | CG | HG1 | HG2 | 117.5° | 120.0° |
| CG | CD | NE | HD1 | 125.3° | 120.0° |
| CG | CD | NE | HD2 | 125.2° | 120.0° |
| CG | CD | HD1 | HD2 | 117.8° | 120.0° |
| CG | CD | NE | C1 | 149.4° | 180.0° |
| CG | CD | NE | HNE | 30.6° | 0.1° |
| HG1 | CG | CD | NE | 72.6° | 60.0° |
| HG1 | CG | CD | HD1 | 162.1° | 180.0° |
| HG1 | CG | CD | HD2 | 52.6° | 60.0° |
| HG2 | CG | CD | NE | 36.8° | 60.0° |
| HG2 | CG | CD | HD1 | 88.5° | 60.1° |
| HG2 | CG | CD | HD2 | 162.0° | 180.0° |
| NE | CD | HD1 | HD2 | 117.8° | 119.9° |
| CD | NE | C1 | HNE | 180.0° | 179.9° |
| CD | NE | C1 | O1 | 1.4° | 0.0° |
| CD | NE | C1 | C1P | 178.6° | 180.0° |
| HD1 | CD | NE | C1 | 85.4° | 60.0° |
| HD1 | CD | NE | HNE | 94.7° | 119.9° |
| HD2 | CD | NE | C1 | 24.1° | 60.0° |
| HD2 | CD | NE | HNE | 155.8° | 120.1° |
| NE | C1 | O1 | C1P | 176.9° | 180.0° |
| NE | C1 | C1P | P | 102.2° | 90.0° |
| NE | C1 | C1P | HP1 | 23.0° | 30.0° |
| NE | C1 | C1P | HP2 | 132.5° | 150.0° |
| HNE | NE | C1 | O1 | 178.5° | 179.9° |
| HNE | NE | C1 | C1P | 1.4° | 0.1° |
| O | C | OXT | HXT | 1.7° | 0.0° |
| O1 | C1 | C1P | P | 75.0° | 90.0° |
| O1 | C1 | C1P | HP1 | 159.8° | 150.0° |
| O1 | C1 | C1P | HP2 | 50.3° | 30.0° |
| C1 | C1P | P | HP1 | 125.3° | 120.0° |
| C1 | C1P | P | HP2 | 125.2° | 120.0° |
| C1 | C1P | HP1 | HP2 | 118.5° | 120.0° |
| C1 | C1P | P | O1P | 46.5° | 60.0° |
| C1 | C1P | P | O2P | 73.4° | 180.0° |
| C1 | C1P | P | O3P | 166.2° | 60.0° |
| P | C1P | HP1 | HP2 | 118.5° | 120.0° |
| C1P | P | O1P | O2P | 120.4° | 120.0° |
| C1P | P | O1P | O3P | 119.8° | 120.0° |
| C1P | P | O2P | O3P | 120.1° | 120.0° |
| C1P | P | O2P | HOP2 | 180.0° | 180.0° |
| C1P | P | O3P | HOP3 | 180.0° | 60.0° |
| HP1 | C1P | P | O1P | 78.8° | 60.0° |
| HP1 | C1P | P | O2P | 161.4° | 60.0° |
| HP1 | C1P | P | O3P | 40.9° | 180.0° |
| HP2 | C1P | P | O1P | 171.7° | 180.0° |
| HP2 | C1P | P | O2P | 51.8° | 60.0° |
| HP2 | C1P | P | O3P | 68.6° | 60.0° |
| O1P | P | O2P | O3P | 119.3° | 120.0° |
| O1P | P | O2P | HOP2 | 59.4° | 60.0° |
| O1P | P | O3P | HOP3 | 59.6° | 180.0° |
| O2P | P | O3P | HOP3 | 59.5° | 60.0° |
| O3P | P | O2P | HOP2 | 59.9° | 60.0° |
