OXX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.99Å | 1.02Å | |
| N | H2 | sing | 0.99Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | C | sing | 1.52Å | 1.49Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CB | HB3 | sing | 1.10Å | 1.12Å | |
| CG | OD2 | doub | 1.23Å | 1.24Å | |
| CG | OD1 | sing | 1.37Å | 1.46Å | |
| OD1 | C2 | sing | 1.35Å | 1.45Å | |
| C2 | O3 | doub | 1.22Å | 1.20Å | |
| C2 | C1 | sing | 1.49Å | 1.43Å | |
| C1 | O1 | sing | 1.27Å | 1.21Å | |
| C1 | O2 | doub | 1.27Å | 1.24Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 68.91Å | |
| OXT | HO4 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.9° | 117.8° |
| CA | N | H2 | 112.0° | 117.8° |
| N | CA | CB | 110.0° | 109.3° |
| N | CA | C | 112.1° | 106.8° |
| N | CA | HA | 106.0° | 108.1° |
| H | N | H2 | 112.1° | 122.9° |
| CB | CA | C | 104.9° | 110.4° |
| CB | CA | HA | 113.0° | 112.5° |
| CA | CB | CG | 112.0° | 111.7° |
| CA | CB | HB2 | 111.3° | 111.6° |
| CA | CB | HB3 | 111.3° | 111.7° |
| C | CA | HA | 110.9° | 109.6° |
| CA | C | O | 117.2° | 125.4° |
| CA | C | OXT | 79.1° | 112.0° |
| CG | CB | HB2 | 111.3° | 108.1° |
| CG | CB | HB3 | 111.3° | 107.0° |
| CB | CG | OD2 | 122.6° | 123.3° |
| CB | CG | OD1 | 116.0° | 109.6° |
| HB2 | CB | HB3 | 99.1° | 106.3° |
| OD2 | CG | OD1 | 121.4° | 127.2° |
| CG | OD1 | C2 | 109.2° | 116.9° |
| OD1 | C2 | O3 | 120.1° | 132.5° |
| OD1 | C2 | C1 | 123.5° | 109.4° |
| O3 | C2 | C1 | 116.4° | 118.0° |
| C2 | C1 | O1 | 116.0° | 116.7° |
| C2 | C1 | O2 | 121.9° | 115.2° |
| O1 | C1 | O2 | 122.1° | 128.1° |
| O | C | OXT | 91.7° | 122.6° |
| C | OXT | HO4 | 79.2° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 165.9° |
| N | CA | CB | C | 120.8° | 117.2° |
| N | CA | CB | HA | 118.2° | 120.1° |
| N | CA | C | HA | 118.3° | 116.8° |
| N | CA | CB | CG | 78.2° | 179.9° |
| N | CA | CB | HB2 | 47.0° | 58.8° |
| N | CA | CB | HB3 | 156.5° | 60.1° |
| N | CA | C | O | 105.3° | 33.2° |
| N | CA | C | OXT | 168.4° | 145.7° |
| H | N | CA | CB | 180.0° | 169.6° |
| H | N | CA | C | 63.6° | 71.0° |
| H | N | CA | HA | 57.6° | 46.8° |
| H2 | N | CA | CB | 54.7° | 2.9° |
| H2 | N | CA | C | 171.1° | 122.4° |
| H2 | N | CA | HA | 67.7° | 119.8° |
| CB | CA | C | HA | 122.3° | 124.4° |
| CA | CB | CG | HB2 | 125.3° | 123.2° |
| CA | CB | CG | HB3 | 125.3° | 122.6° |
| CA | CB | HB2 | HB3 | 117.2° | 122.1° |
| CA | CB | CG | OD2 | 5.8° | 116.7° |
| CA | CB | CG | OD1 | 177.1° | 63.5° |
| CB | CA | C | O | 135.3° | 85.6° |
| CB | CA | C | OXT | 49.0° | 95.5° |
| C | CA | CB | CG | 161.0° | 62.7° |
| C | CA | CB | HB2 | 73.8° | 176.0° |
| C | CA | CB | HB3 | 35.7° | 57.1° |
| CA | C | O | OXT | 78.6° | 178.8° |
| CA | C | OXT | HO4 | 180.0° | 179.0° |
| HA | CA | CB | CG | 40.0° | 60.0° |
| HA | CA | CB | HB2 | 165.3° | 61.2° |
| HA | CA | CB | HB3 | 85.3° | 179.9° |
| HA | CA | C | O | 13.0° | 150.0° |
| HA | CA | C | OXT | 73.3° | 28.9° |
| CG | CB | HB2 | HB3 | 117.2° | 114.6° |
| CB | CG | OD2 | OD1 | 176.9° | 179.7° |
| CB | CG | OD1 | C2 | 148.2° | 179.8° |
| HB2 | CB | CG | OD2 | 119.5° | 120.0° |
| HB2 | CB | CG | OD1 | 57.6° | 59.7° |
| HB3 | CB | CG | OD2 | 131.1° | 5.9° |
| HB3 | CB | CG | OD1 | 51.8° | 173.9° |
| OD2 | CG | OD1 | C2 | 34.7° | 0.0° |
| CG | OD1 | C2 | O3 | 70.1° | 0.1° |
| CG | OD1 | C2 | C1 | 110.1° | 179.9° |
| OD1 | C2 | O3 | C1 | 179.8° | 179.8° |
| OD1 | C2 | C1 | O1 | 60.3° | 179.9° |
| OD1 | C2 | C1 | O2 | 122.2° | 0.2° |
| O3 | C2 | C1 | O1 | 119.9° | 0.1° |
| O3 | C2 | C1 | O2 | 57.7° | 180.0° |
| C2 | C1 | O1 | O2 | 177.6° | 179.9° |
| O | C | OXT | HO4 | 62.6° | 0.0° |
