KPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA | CA | doub | 1.21Å | 1.27Å | |
| CA | C | sing | 1.49Å | 1.56Å | |
| CA | CB | sing | 1.51Å | 1.42Å | |
| C | O | sing | 1.35Å | 1.23Å | |
| C | OXT | doub | 1.21Å | 1.23Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CP | sing | 1.53Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CP | P | sing | 1.82Å | 1.81Å | |
| CP | HP1 | sing | 1.09Å | 1.11Å | |
| CP | HP2 | sing | 1.09Å | 1.11Å | |
| P | O1 | doub | 1.48Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.51Å | |
| P | O3 | sing | 1.61Å | 1.48Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA | CA | C | 114.6° | 120.0° |
| OA | CA | CB | 116.3° | 120.0° |
| C | CA | CB | 129.1° | 120.0° |
| CA | C | O | 117.4° | 119.9° |
| CA | C | OXT | 120.7° | 120.0° |
| CA | CB | CG | 136.6° | 109.4° |
| CA | CB | HB1 | 103.0° | 109.5° |
| CA | CB | HB2 | 103.0° | 109.5° |
| O | C | OXT | 122.0° | 120.0° |
| C | O | HO | 117.4° | 120.0° |
| CG | CB | HB1 | 102.9° | 109.5° |
| CG | CB | HB2 | 102.9° | 109.4° |
| CB | CG | CP | 112.5° | 109.5° |
| CB | CG | HG1 | 111.1° | 109.5° |
| CB | CG | HG2 | 111.1° | 109.4° |
| HB1 | CB | HB2 | 105.4° | 109.5° |
| CP | CG | HG1 | 111.1° | 109.4° |
| CP | CG | HG2 | 111.1° | 109.5° |
| CG | CP | P | 115.8° | 109.5° |
| CG | CP | HP1 | 109.9° | 109.4° |
| CG | CP | HP2 | 109.9° | 109.4° |
| HG1 | CG | HG2 | 99.2° | 109.5° |
| P | CP | HP1 | 109.9° | 109.5° |
| P | CP | HP2 | 109.9° | 109.5° |
| CP | P | O1 | 110.2° | 109.5° |
| CP | P | O2 | 105.8° | 109.5° |
| CP | P | O3 | 108.2° | 109.5° |
| HP1 | CP | HP2 | 100.3° | 109.5° |
| O1 | P | O2 | 111.3° | 109.5° |
| O1 | P | O3 | 107.0° | 109.5° |
| O2 | P | O3 | 114.3° | 109.4° |
| P | O2 | HO2 | 105.8° | 106.8° |
| P | O3 | HO3 | 108.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | CA | C | CB | 179.8° | 179.9° |
| OA | CA | C | O | 179.5° | 0.1° |
| OA | CA | C | OXT | 1.1° | 180.0° |
| OA | CA | CB | CG | 143.9° | 0.0° |
| OA | CA | CB | HB1 | 18.7° | 120.0° |
| OA | CA | CB | HB2 | 90.8° | 120.0° |
| CA | C | O | OXT | 179.3° | 179.9° |
| CA | C | O | HO | 180.0° | 180.0° |
| C | CA | CB | CG | 35.9° | 179.9° |
| C | CA | CB | HB1 | 161.1° | 60.0° |
| C | CA | CB | HB2 | 89.4° | 60.0° |
| CB | CA | C | O | 0.2° | 180.0° |
| CB | CA | C | OXT | 179.1° | 0.1° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 107.6° | 120.0° |
| CA | CB | CG | CP | 24.2° | 180.0° |
| CA | CB | CG | HG1 | 149.5° | 60.0° |
| CA | CB | CG | HG2 | 101.1° | 60.0° |
| OXT | C | O | HO | 0.7° | 0.1° |
| CG | CB | HB1 | HB2 | 107.5° | 120.0° |
| CB | CG | CP | HG1 | 125.3° | 120.0° |
| CB | CG | CP | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 117.0° | 120.0° |
| CB | CG | CP | P | 100.6° | 180.0° |
| CB | CG | CP | HP1 | 134.1° | 60.0° |
| CB | CG | CP | HP2 | 24.6° | 60.0° |
| HB1 | CB | CG | CP | 101.1° | 60.0° |
| HB1 | CB | CG | HG1 | 24.2° | 180.0° |
| HB1 | CB | CG | HG2 | 133.6° | 60.0° |
| HB2 | CB | CG | CP | 149.5° | 60.0° |
| HB2 | CB | CG | HG1 | 85.3° | 60.0° |
| HB2 | CB | CG | HG2 | 24.2° | 180.0° |
| CP | CG | HG1 | HG2 | 117.0° | 120.0° |
| CG | CP | P | HP1 | 125.2° | 119.9° |
| CG | CP | P | HP2 | 125.3° | 120.0° |
| CG | CP | HP1 | HP2 | 115.8° | 119.9° |
| CG | CP | P | O1 | 48.4° | 55.0° |
| CG | CP | P | O2 | 72.1° | 175.0° |
| CG | CP | P | O3 | 165.0° | 65.0° |
| HG1 | CG | CP | P | 24.6° | 60.0° |
| HG1 | CG | CP | HP1 | 100.6° | 180.0° |
| HG1 | CG | CP | HP2 | 149.9° | 60.0° |
| HG2 | CG | CP | P | 134.0° | 60.0° |
| HG2 | CG | CP | HP1 | 8.8° | 60.0° |
| HG2 | CG | CP | HP2 | 100.7° | 180.0° |
| P | CP | HP1 | HP2 | 115.7° | 120.1° |
| CP | P | O1 | O2 | 117.1° | 120.0° |
| CP | P | O1 | O3 | 117.4° | 120.0° |
| CP | P | O2 | O3 | 118.9° | 120.0° |
| CP | P | O2 | HO2 | 180.0° | 180.0° |
| CP | P | O3 | HO3 | 180.0° | 60.0° |
| HP1 | CP | P | O1 | 173.6° | 65.0° |
| HP1 | CP | P | O2 | 53.1° | 55.1° |
| HP1 | CP | P | O3 | 69.7° | 175.0° |
| HP2 | CP | P | O1 | 76.9° | 175.0° |
| HP2 | CP | P | O2 | 162.6° | 65.0° |
| HP2 | CP | P | O3 | 39.8° | 55.0° |
| O1 | P | O2 | O3 | 121.4° | 120.0° |
| O1 | P | O2 | HO2 | 60.2° | 60.0° |
| O1 | P | O3 | HO3 | 61.3° | 180.0° |
| O2 | P | O3 | HO3 | 62.4° | 60.0° |
| O3 | P | O2 | HO2 | 61.1° | 60.0° |






