PLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | P | sing | 1.82Å | 1.83Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.11Å | |
| CD1 | HD12 | sing | 1.09Å | 1.12Å | |
| CD1 | HD13 | sing | 1.09Å | 1.12Å | |
| CD2 | HD21 | sing | 1.09Å | 1.11Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| CD2 | HD23 | sing | 1.09Å | 1.12Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| P | O1 | doub | 1.48Å | 1.55Å | |
| P | O2 | sing | 1.61Å | 1.57Å | |
| P | O3 | sing | 1.61Å | 1.56Å | |
| 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) |
| CB | CA | N | 109.6° | 109.4° |
| CB | CA | P | 108.3° | 109.5° |
| CB | CA | HA | 109.9° | 109.5° |
| CA | CB | CG | 116.2° | 109.5° |
| CA | CB | HB1 | 109.7° | 109.5° |
| CA | CB | HB2 | 109.8° | 109.4° |
| N | CA | P | 108.5° | 109.5° |
| N | CA | HA | 109.6° | 109.5° |
| CA | N | HN1 | 109.6° | 106.7° |
| CA | N | HN2 | 112.2° | 106.7° |
| P | CA | HA | 110.9° | 109.5° |
| CA | P | O1 | 106.3° | 109.5° |
| CA | P | O2 | 107.6° | 109.5° |
| CA | P | O3 | 108.6° | 109.5° |
| CG | CB | HB1 | 109.8° | 109.5° |
| CG | CB | HB2 | 109.8° | 109.5° |
| CB | CG | CD1 | 112.1° | 109.5° |
| CB | CG | CD2 | 112.2° | 109.5° |
| CB | CG | HG | 105.5° | 109.5° |
| HB1 | CB | HB2 | 100.4° | 109.4° |
| CD1 | CG | CD2 | 108.9° | 109.5° |
| CD1 | CG | HG | 109.0° | 109.4° |
| CG | CD1 | HD11 | 112.2° | 109.5° |
| CG | CD1 | HD12 | 111.3° | 109.5° |
| CG | CD1 | HD13 | 111.2° | 109.4° |
| CD2 | CG | HG | 109.0° | 109.4° |
| CG | CD2 | HD21 | 112.2° | 109.4° |
| CG | CD2 | HD22 | 111.2° | 109.5° |
| CG | CD2 | HD23 | 111.1° | 109.5° |
| HD11 | CD1 | HD12 | 111.2° | 109.4° |
| HD11 | CD1 | HD13 | 111.2° | 109.4° |
| HD12 | CD1 | HD13 | 99.1° | 109.5° |
| HD21 | CD2 | HD22 | 111.2° | 109.4° |
| HD21 | CD2 | HD23 | 111.2° | 109.4° |
| HD22 | CD2 | HD23 | 99.2° | 109.6° |
| HN1 | N | HN2 | 112.1° | 106.6° |
| O1 | P | O2 | 108.9° | 109.5° |
| O1 | P | O3 | 112.2° | 109.4° |
| O2 | P | O3 | 113.1° | 109.5° |
| P | O2 | HO2 | 107.5° | 106.8° |
| P | O3 | HO3 | 108.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | N | P | 118.0° | 120.1° |
| CB | CA | N | HA | 120.7° | 120.0° |
| CB | CA | P | HA | 120.6° | 120.0° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 115.5° | 119.9° |
| CA | CB | CG | CD1 | 56.9° | 174.7° |
| CA | CB | CG | CD2 | 179.9° | 65.3° |
| CA | CB | CG | HG | 61.6° | 54.6° |
| CB | CA | N | HN1 | 180.0° | 60.0° |
| CB | CA | N | HN2 | 54.8° | 53.7° |
| CB | CA | P | O1 | 170.3° | 55.2° |
| CB | CA | P | O2 | 53.8° | 175.3° |
| CB | CA | P | O3 | 68.9° | 64.7° |
| N | CA | P | HA | 120.5° | 120.0° |
| N | CA | CB | CG | 61.4° | 65.8° |
| N | CA | CB | HB1 | 63.9° | 174.1° |
| N | CA | CB | HB2 | 173.4° | 54.2° |
| CA | N | HN1 | HN2 | 125.2° | 113.8° |
| N | CA | P | O1 | 51.4° | 64.8° |
| N | CA | P | O2 | 65.1° | 55.3° |
| N | CA | P | O3 | 172.2° | 175.3° |
| P | CA | CB | CG | 179.6° | 174.2° |
| P | CA | CB | HB1 | 54.3° | 54.1° |
| P | CA | CB | HB2 | 55.2° | 65.8° |
| P | CA | N | HN1 | 62.0° | 60.0° |
| P | CA | N | HN2 | 172.8° | 173.7° |
| CA | P | O1 | O2 | 115.6° | 120.0° |
| CA | P | O1 | O3 | 118.5° | 120.0° |
| CA | P | O2 | O3 | 119.9° | 120.0° |
| CA | P | O2 | HO2 | 180.0° | 180.0° |
| CA | P | O3 | HO3 | 180.0° | 55.6° |
| HA | CA | CB | CG | 59.2° | 54.1° |
| HA | CA | CB | HB1 | 175.5° | 65.9° |
| HA | CA | CB | HB2 | 66.1° | 174.2° |
| HA | CA | N | HN1 | 59.3° | 180.0° |
| HA | CA | N | HN2 | 65.9° | 66.3° |
| HA | CA | P | O1 | 69.1° | 175.3° |
| HA | CA | P | O2 | 174.5° | 64.7° |
| HA | CA | P | O3 | 51.8° | 55.3° |
| CG | CB | HB1 | HB2 | 115.6° | 120.0° |
| CB | CG | CD1 | CD2 | 124.8° | 120.1° |
| CB | CG | CD1 | HG | 116.4° | 120.1° |
| CB | CG | CD2 | HG | 116.4° | 120.0° |
| CB | CG | CD1 | HD11 | 180.0° | 180.0° |
| CB | CG | CD1 | HD12 | 54.7° | 60.0° |
| CB | CG | CD1 | HD13 | 54.7° | 60.0° |
| CB | CG | CD2 | HD21 | 180.0° | 54.0° |
| CB | CG | CD2 | HD22 | 54.7° | 66.0° |
| CB | CG | CD2 | HD23 | 54.7° | 173.9° |
| HB1 | CB | CG | CD1 | 177.9° | 65.3° |
| HB1 | CB | CG | CD2 | 54.9° | 54.7° |
| HB1 | CB | CG | HG | 63.6° | 174.7° |
| HB2 | CB | CG | CD1 | 68.3° | 54.7° |
| HB2 | CB | CG | CD2 | 54.6° | 174.7° |
| HB2 | CB | CG | HG | 173.1° | 65.4° |
| CD1 | CG | CD2 | HG | 118.8° | 119.9° |
| CG | CD1 | HD11 | HD12 | 125.3° | 120.1° |
| CG | CD1 | HD11 | HD13 | 125.3° | 120.0° |
| CG | CD1 | HD12 | HD13 | 117.1° | 120.0° |
| CD1 | CG | CD2 | HD21 | 55.2° | 66.1° |
| CD1 | CG | CD2 | HD22 | 179.5° | 174.0° |
| CD1 | CG | CD2 | HD23 | 70.0° | 53.8° |
| CD2 | CG | CD1 | HD11 | 55.2° | 59.9° |
| CD2 | CG | CD1 | HD12 | 70.1° | 179.9° |
| CD2 | CG | CD1 | HD13 | 179.5° | 60.0° |
| CG | CD2 | HD21 | HD22 | 125.3° | 120.0° |
| CG | CD2 | HD21 | HD23 | 125.2° | 120.0° |
| CG | CD2 | HD22 | HD23 | 117.0° | 120.1° |
| HG | CG | CD1 | HD11 | 63.6° | 59.9° |
| HG | CG | CD1 | HD12 | 171.1° | 60.1° |
| HG | CG | CD1 | HD13 | 61.7° | 179.9° |
| HG | CG | CD2 | HD21 | 63.6° | 174.0° |
| HG | CG | CD2 | HD22 | 61.7° | 54.1° |
| HG | CG | CD2 | HD23 | 171.2° | 66.1° |
| HD11 | CD1 | HD12 | HD13 | 117.0° | 119.9° |
| HD21 | CD2 | HD22 | HD23 | 117.1° | 119.9° |
| O1 | P | O2 | O3 | 125.4° | 120.0° |
| O1 | P | O2 | HO2 | 65.2° | 59.9° |
| O1 | P | O3 | HO3 | 62.8° | 175.5° |
| O2 | P | O3 | HO3 | 60.8° | 64.5° |
| O3 | P | O2 | HO2 | 60.2° | 60.0° |
