AA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.50Å | |
| N | C4A | doub | 1.29Å | 1.29Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O1 | doub | 1.34Å | 1.25Å | |
| C | O2 | sing | 1.21Å | 1.25Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | SD | sing | 1.81Å | 1.82Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| SD | CE | sing | 1.81Å | 1.82Å | |
| CE | HE1 | sing | 1.09Å | 1.11Å | |
| CE | HE2 | sing | 1.09Å | 1.12Å | |
| CE | HE3 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 4.38Å | 0.95Å | |
| C2 | C2A | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.11Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.38Å | |
| C4 | C4A | sing | 1.48Å | 1.56Å | |
| C4 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| C5 | C5A | sing | 1.51Å | 1.56Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5A | O4P | sing | 1.43Å | 1.45Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.12Å | |
| C6 | N1 | doub | 1.32Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| O2P | P | sing | 1.61Å | 1.61Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.50Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| O4P | P | sing | 1.61Å | 1.66Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C4A | 123.8° | 120.0° |
| N | CA | C | 110.8° | 109.5° |
| N | CA | CB | 111.6° | 109.4° |
| N | CA | HA | 107.3° | 109.5° |
| N | C4A | C4 | 118.1° | 120.0° |
| N | C4A | H4A | 112.0° | 120.0° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 108.9° | 109.5° |
| CA | C | O1 | 119.8° | 120.0° |
| CA | C | O2 | 119.5° | 120.0° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 115.9° | 109.5° |
| CA | CB | HB1 | 109.9° | 109.5° |
| CA | CB | HB2 | 109.9° | 109.5° |
| O1 | C | O2 | 120.7° | 120.0° |
| C | O2 | HO2 | 119.5° | 72.4° |
| CG | CB | HB1 | 109.9° | 109.5° |
| CG | CB | HB2 | 109.9° | 109.5° |
| CB | CG | SD | 115.9° | 109.5° |
| CB | CG | HG1 | 109.9° | 109.5° |
| CB | CG | HG2 | 109.8° | 109.5° |
| HB1 | CB | HB2 | 100.3° | 109.4° |
| SD | CG | HG1 | 109.9° | 109.4° |
| SD | CG | HG2 | 109.9° | 109.5° |
| CG | SD | CE | 100.4° | 100.0° |
| HG1 | CG | HG2 | 100.3° | 109.4° |
| SD | CE | HE1 | 100.4° | 109.4° |
| SD | CE | HE2 | 115.7° | 109.4° |
| SD | CE | HE3 | 115.7° | 109.4° |
| HE1 | CE | HE2 | 115.7° | 109.5° |
| HE1 | CE | HE3 | 115.7° | 109.5° |
| HE2 | CE | HE3 | 94.7° | 109.5° |
| C2A | C2 | C3 | 120.1° | 119.6° |
| C2A | C2 | N1 | 120.2° | 119.6° |
| C2 | C2A | H2A1 | 120.1° | 109.4° |
| C2 | C2A | H2A2 | 108.4° | 109.4° |
| C2 | C2A | H2A3 | 108.4° | 109.5° |
| C3 | C2 | N1 | 119.7° | 120.8° |
| C2 | C3 | C4 | 119.9° | 118.9° |
| C2 | C3 | O3 | 118.6° | 120.6° |
| C2 | N1 | C6 | 121.1° | 122.1° |
| H2A1 | C2A | H2A2 | 108.4° | 109.5° |
| H2A1 | C2A | H2A3 | 108.4° | 109.5° |
| H2A2 | C2A | H2A3 | 101.5° | 109.5° |
| C4 | C3 | O3 | 121.6° | 120.6° |
| C3 | C4 | C4A | 119.2° | 121.0° |
| C3 | C4 | C5 | 120.0° | 118.1° |
| C3 | O3 | HO3 | 118.6° | 106.8° |
| C4A | C4 | C5 | 120.8° | 121.0° |
| C4 | C4A | H4A | 129.9° | 120.0° |
| C4 | C5 | C5A | 122.2° | 120.5° |
| C4 | C5 | C6 | 118.4° | 119.1° |
| C5A | C5 | C6 | 119.4° | 120.5° |
| C5 | C5A | O4P | 119.3° | 109.4° |
| C5 | C5A | H5A1 | 108.7° | 109.4° |
| C5 | C5A | H5A2 | 108.7° | 109.4° |
| C5 | C6 | N1 | 120.9° | 121.1° |
| C5 | C6 | H6 | 119.2° | 119.5° |
| O4P | C5A | H5A1 | 108.7° | 109.5° |
| O4P | C5A | H5A2 | 108.6° | 109.5° |
| C5A | O4P | P | 116.6° | 106.8° |
| H5A1 | C5A | H5A2 | 101.4° | 109.5° |
| N1 | C6 | H6 | 119.9° | 119.4° |
| O1P | P | O2P | 104.9° | 109.5° |
| O1P | P | O3P | 118.3° | 109.4° |
| O1P | P | O4P | 114.1° | 109.5° |
| P | O2P | H2P | 104.8° | 106.8° |
| O2P | P | O3P | 106.4° | 109.5° |
| O2P | P | O4P | 103.5° | 109.5° |
| P | O3P | H3P | 118.3° | 106.8° |
| O3P | P | O4P | 108.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 123.9° | 119.9° |
| N | CA | C | HA | 117.8° | 120.1° |
| N | CA | CB | HA | 117.8° | 120.0° |
| N | CA | C | O1 | 151.9° | 180.0° |
| N | CA | C | O2 | 29.5° | 0.0° |
| N | CA | CB | CG | 79.5° | 65.0° |
| N | CA | CB | HB1 | 155.2° | 175.0° |
| N | CA | CB | HB2 | 45.8° | 55.0° |
| CA | N | C4A | C4 | 131.3° | 180.0° |
| CA | N | C4A | H4A | 48.7° | 0.1° |
| C4A | N | CA | C | 179.7° | 120.0° |
| C4A | N | CA | CB | 56.8° | 120.1° |
| C4A | N | CA | HA | 61.5° | 0.1° |
| N | C4A | C4 | C3 | 47.4° | 0.0° |
| N | C4A | C4 | H4A | 180.0° | 180.0° |
| N | C4A | C4 | C5 | 132.9° | 179.7° |
| C | CA | CB | HA | 118.8° | 120.0° |
| CA | C | O1 | O2 | 178.6° | 180.0° |
| C | CA | CB | CG | 43.9° | 175.0° |
| C | CA | CB | HB1 | 81.4° | 55.0° |
| C | CA | CB | HB2 | 169.2° | 64.9° |
| CA | C | O2 | HO2 | 180.0° | 16.8° |
| CB | CA | C | O1 | 84.2° | 60.0° |
| CB | CA | C | O2 | 94.4° | 120.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 115.7° | 120.0° |
| CA | CB | CG | SD | 178.6° | 180.0° |
| CA | CB | CG | HG1 | 56.1° | 60.0° |
| CA | CB | CG | HG2 | 53.4° | 60.0° |
| HA | CA | C | O1 | 34.1° | 60.0° |
| HA | CA | C | O2 | 147.3° | 120.0° |
| HA | CA | CB | CG | 162.7° | 55.0° |
| HA | CA | CB | HB1 | 37.5° | 65.0° |
| HA | CA | CB | HB2 | 72.0° | 175.0° |
| O1 | C | O2 | HO2 | 1.4° | 163.2° |
| CG | CB | HB1 | HB2 | 115.7° | 120.0° |
| CB | CG | SD | HG1 | 125.3° | 120.1° |
| CB | CG | SD | HG2 | 125.2° | 120.0° |
| CB | CG | HG1 | HG2 | 115.6° | 120.0° |
| CB | CG | SD | CE | 134.4° | 180.0° |
| HB1 | CB | CG | SD | 53.4° | 60.0° |
| HB1 | CB | CG | HG1 | 178.7° | 180.0° |
| HB1 | CB | CG | HG2 | 71.9° | 60.0° |
| HB2 | CB | CG | SD | 56.1° | 60.0° |
| HB2 | CB | CG | HG1 | 69.2° | 60.1° |
| HB2 | CB | CG | HG2 | 178.6° | 180.0° |
| SD | CG | HG1 | HG2 | 115.7° | 119.9° |
| CG | SD | CE | HE1 | 179.9° | 60.0° |
| CG | SD | CE | HE2 | 54.7° | 60.0° |
| CG | SD | CE | HE3 | 54.7° | 180.0° |
| HG1 | CG | SD | CE | 100.4° | 60.0° |
| HG2 | CG | SD | CE | 9.1° | 59.9° |
| SD | CE | HE1 | HE2 | 125.3° | 119.9° |
| SD | CE | HE1 | HE3 | 125.2° | 120.0° |
| SD | CE | HE2 | HE3 | 121.5° | 120.0° |
| HE1 | CE | HE2 | HE3 | 121.5° | 120.1° |
| C2A | C2 | C3 | N1 | 179.4° | 179.9° |
| C2 | C2A | H2A1 | H2A2 | 125.3° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 125.3° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 114.0° | 120.0° |
| C2A | C2 | C3 | C4 | 179.5° | 180.0° |
| C2A | C2 | C3 | O3 | 0.7° | 0.0° |
| C2A | C2 | N1 | C6 | 179.5° | 180.0° |
| C3 | C2 | C2A | H2A1 | 180.0° | 90.0° |
| C3 | C2 | C2A | H2A2 | 54.7° | 150.0° |
| C3 | C2 | C2A | H2A3 | 54.7° | 30.0° |
| C2 | C3 | C4 | O3 | 178.8° | 180.0° |
| C2 | C3 | C4 | C4A | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.3° |
| C3 | C2 | N1 | C6 | 1.1° | 0.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| N1 | C2 | C2A | H2A1 | 0.6° | 90.0° |
| N1 | C2 | C2A | H2A2 | 124.7° | 30.0° |
| N1 | C2 | C2A | H2A3 | 125.9° | 150.0° |
| N1 | C2 | C3 | C4 | 1.0° | 0.1° |
| N1 | C2 | C3 | O3 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.3° |
| C2 | N1 | C6 | H6 | 179.2° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 114.1° | 120.1° |
| C3 | C4 | C4A | C5 | 179.6° | 179.6° |
| C3 | C4 | C4A | H4A | 132.5° | 179.9° |
| C3 | C4 | C5 | C5A | 178.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.6° |
| C4 | C3 | O3 | HO3 | 1.2° | 90.0° |
| O3 | C3 | C4 | C4A | 0.9° | 0.1° |
| O3 | C3 | C4 | C5 | 179.5° | 179.7° |
| C4A | C4 | C5 | C5A | 1.7° | 0.3° |
| C4A | C4 | C5 | C6 | 179.9° | 179.8° |
| C5 | C4 | C4A | H4A | 47.1° | 0.3° |
| C4 | C5 | C5A | C6 | 178.3° | 179.4° |
| C4 | C5 | C5A | O4P | 93.2° | 179.4° |
| C4 | C5 | C5A | H5A1 | 141.5° | 60.5° |
| C4 | C5 | C5A | H5A2 | 32.0° | 59.5° |
| C4 | C5 | C6 | N1 | 0.5° | 0.6° |
| C4 | C5 | C6 | H6 | 179.5° | 179.7° |
| C5 | C5A | O4P | H5A1 | 125.3° | 120.0° |
| C5 | C5A | O4P | H5A2 | 125.3° | 119.9° |
| C5 | C5A | H5A1 | H5A2 | 114.4° | 119.9° |
| C5A | C5 | C6 | N1 | 178.8° | 180.0° |
| C5A | C5 | C6 | H6 | 1.2° | 0.2° |
| C5 | C5A | O4P | P | 167.0° | 180.0° |
| C6 | C5 | C5A | O4P | 88.5° | 0.0° |
| C6 | C5 | C5A | H5A1 | 36.8° | 120.0° |
| C6 | C5 | C5A | H5A2 | 146.3° | 120.0° |
| C5 | C6 | N1 | H6 | 180.0° | 179.7° |
| O4P | C5A | H5A1 | H5A2 | 114.3° | 120.1° |
| C5A | O4P | P | O1P | 178.2° | 55.0° |
| C5A | O4P | P | O2P | 68.5° | 65.0° |
| C5A | O4P | P | O3P | 44.1° | 175.0° |
| H5A1 | C5A | O4P | P | 67.7° | 60.0° |
| H5A2 | C5A | O4P | P | 41.7° | 60.1° |
| O1P | P | O2P | O3P | 126.1° | 120.0° |
| O1P | P | O2P | O4P | 119.8° | 120.0° |
| O1P | P | O2P | H2P | 180.0° | 180.0° |
| O1P | P | O3P | O4P | 131.8° | 120.0° |
| O1P | P | O3P | H3P | 180.0° | 60.0° |
| O2P | P | O3P | O4P | 110.7° | 120.0° |
| O2P | P | O3P | H3P | 62.5° | 60.0° |
| H2P | O2P | P | O3P | 53.9° | 60.0° |
| H2P | O2P | P | O4P | 60.2° | 60.0° |
| H3P | O3P | P | O4P | 48.1° | 180.0° |
