0HW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.43Å | 2.48Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.52Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| N1 | CD | sing | 1.47Å | 1.48Å | |
| CA1 | C5 | sing | 1.51Å | 1.55Å | |
| CA1 | CB1 | sing | 1.54Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.25Å | |
| C5 | OXT | sing | 1.34Å | 1.25Å | |
| CB1 | CG | sing | 1.55Å | 1.52Å | |
| CB1 | HB2 | sing | 1.09Å | 1.10Å | |
| CB1 | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.55Å | 1.51Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C11 | C21 | sing | 1.53Å | 1.53Å | |
| C11 | O5 | sing | 1.45Å | 1.44Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | N | sing | 1.35Å | 1.33Å | |
| C | N1 | sing | 1.35Å | 1.35Å | |
| C1 | O5 | sing | 1.34Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.8° | 120.1° |
| O1 | C1 | O5 | 125.1° | 119.9° |
| C1 | C2 | O2 | 109.7° | 117.7° |
| C1 | C2 | C3 | 109.9° | 117.8° |
| C1 | C2 | H2 | 109.3° | 115.7° |
| C2 | C1 | O5 | 112.0° | 120.0° |
| O2 | C2 | C3 | 110.1° | 57.6° |
| O2 | C2 | H2 | 109.0° | 117.8° |
| C2 | O2 | C3 | 36.8° | 64.8° |
| C3 | C2 | H2 | 108.9° | 117.8° |
| C2 | C3 | O2 | 33.1° | 57.6° |
| C2 | C3 | C4 | 111.8° | 117.8° |
| C2 | C3 | H31 | 137.5° | 117.7° |
| O2 | C3 | C4 | 89.5° | 117.8° |
| O2 | C3 | H31 | 158.3° | 117.7° |
| C4 | C3 | H31 | 108.7° | 115.8° |
| C3 | C4 | O4 | 119.5° | 120.0° |
| C3 | C4 | N | 117.4° | 120.0° |
| O4 | C4 | N | 123.0° | 120.0° |
| CA | N | H | 117.9° | 120.0° |
| N | CA | C | 122.7° | 109.5° |
| N | CA | CB | 111.0° | 109.5° |
| N | CA | HA | 97.4° | 109.5° |
| CA | N | C4 | 124.1° | 120.0° |
| H | N | C4 | 117.9° | 120.0° |
| C | CA | CB | 106.8° | 109.4° |
| C | CA | HA | 102.4° | 109.5° |
| CA | C | O | 121.0° | 120.0° |
| CA | C | N1 | 116.9° | 120.0° |
| CB | CA | HA | 116.5° | 109.5° |
| CA | CB | CG1 | 110.3° | 109.5° |
| CA | CB | CG2 | 110.8° | 109.4° |
| CA | CB | HB | 108.5° | 109.5° |
| O | C | N1 | 122.0° | 120.0° |
| CG1 | CB | CG2 | 111.1° | 109.5° |
| CG1 | CB | HB | 108.3° | 109.5° |
| CB | CG1 | CD1 | 113.5° | 109.5° |
| CB | CG1 | HG12 | 108.1° | 109.5° |
| CB | CG1 | HG13 | 108.2° | 109.5° |
| CG2 | CB | HB | 107.8° | 109.4° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.4° |
| CB | CG2 | HG23 | 109.5° | 109.4° |
| CD1 | CG1 | HG12 | 108.1° | 109.4° |
| CD1 | CG1 | HG13 | 108.1° | 109.4° |
| CG1 | CD1 | HD11 | 109.5° | 109.5° |
| CG1 | CD1 | HD12 | 109.5° | 109.4° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 110.8° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| CA1 | N1 | CD | 109.8° | 108.7° |
| N1 | CA1 | C5 | 109.2° | 109.9° |
| N1 | CA1 | CB1 | 103.1° | 107.3° |
| N1 | CA1 | HA1 | 113.8° | 109.9° |
| CA1 | N1 | C | 125.9° | 125.6° |
| N1 | CD | CG | 101.3° | 105.0° |
| N1 | CD | HD2 | 112.3° | 110.4° |
| N1 | CD | HD3 | 112.3° | 110.4° |
| CD | N1 | C | 122.1° | 125.7° |
| C5 | CA1 | CB1 | 109.9° | 109.9° |
| C5 | CA1 | HA1 | 107.5° | 109.9° |
| CA1 | C5 | O3 | 118.8° | 120.0° |
| CA1 | C5 | OXT | 119.7° | 120.0° |
| CB1 | CA1 | HA1 | 113.1° | 110.0° |
| CA1 | CB1 | CG | 104.5° | 102.9° |
| CA1 | CB1 | HB2 | 111.2° | 110.8° |
| CA1 | CB1 | HB3 | 111.2° | 110.7° |
| O3 | C5 | OXT | 121.4° | 120.0° |
| C5 | OXT | HXT | 109.5° | 117.0° |
| CG | CB1 | HB2 | 111.1° | 110.7° |
| CG | CB1 | HB3 | 111.2° | 110.7° |
| CB1 | CG | CD | 101.1° | 101.7° |
| CB1 | CG | HG2 | 112.4° | 111.0° |
| CB1 | CG | HG3 | 112.4° | 111.0° |
| HB2 | CB1 | HB3 | 107.7° | 110.7° |
| CD | CG | HG2 | 112.4° | 111.1° |
| CD | CG | HG3 | 112.3° | 110.8° |
| CG | CD | HD2 | 112.3° | 110.4° |
| CG | CD | HD3 | 112.3° | 110.2° |
| HG2 | CG | HG3 | 106.4° | 110.9° |
| HD2 | CD | HD3 | 106.5° | 110.4° |
| C21 | C11 | O5 | 109.8° | 109.5° |
| C21 | C11 | H11 | 109.4° | 109.5° |
| C21 | C11 | H12 | 109.4° | 109.5° |
| C11 | C21 | H21 | 109.5° | 109.4° |
| C11 | C21 | H22 | 109.5° | 109.4° |
| C11 | C21 | H23 | 109.4° | 109.5° |
| O5 | C11 | H11 | 109.4° | 109.4° |
| O5 | C11 | H12 | 109.4° | 109.5° |
| C11 | O5 | C1 | 122.6° | 117.0° |
| H11 | C11 | H12 | 109.6° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 179.1° | 180.0° |
| O1 | C1 | C2 | O2 | 38.5° | 46.4° |
| O1 | C1 | C2 | C3 | 82.7° | 112.4° |
| O1 | C1 | C2 | H2 | 157.9° | 100.5° |
| O1 | C1 | O5 | C11 | 38.2° | 0.0° |
| C1 | C2 | O2 | C3 | 121.1° | 106.9° |
| C1 | C2 | O2 | H2 | 119.6° | 146.2° |
| C1 | C2 | C3 | H2 | 119.6° | 146.4° |
| C1 | C2 | C3 | C4 | 171.7° | 146.3° |
| C1 | C2 | C3 | H31 | 26.6° | 0.0° |
| C2 | C1 | O5 | C11 | 142.8° | 180.0° |
| O2 | C2 | C3 | H2 | 119.4° | 106.8° |
| O2 | C2 | C3 | C4 | 50.7° | 106.9° |
| O2 | C2 | C3 | H31 | 147.6° | 106.8° |
| O2 | C2 | C1 | O5 | 142.5° | 133.6° |
| C2 | C3 | C4 | H31 | 167.0° | 146.9° |
| C2 | C3 | C4 | O4 | 138.8° | 115.1° |
| C2 | C3 | C4 | N | 42.2° | 65.0° |
| C3 | C2 | C1 | O5 | 96.3° | 67.6° |
| H2 | C2 | C3 | C4 | 68.7° | 0.1° |
| H2 | C2 | C3 | H31 | 93.0° | 146.4° |
| H2 | C2 | C1 | O5 | 23.0° | 79.5° |
| O2 | C3 | C4 | H31 | 167.9° | 147.1° |
| O2 | C3 | C4 | O4 | 113.8° | 49.0° |
| O2 | C3 | C4 | N | 67.2° | 131.0° |
| C3 | C4 | O4 | N | 178.9° | 179.9° |
| C3 | C4 | N | CA | 176.7° | 174.9° |
| C3 | C4 | N | H | 3.3° | 5.2° |
| H31 | C3 | C4 | O4 | 54.1° | 98.0° |
| H31 | C3 | C4 | N | 124.8° | 81.9° |
| O4 | C4 | N | CA | 4.4° | 5.0° |
| O4 | C4 | N | H | 175.6° | 174.9° |
| CA | N | H | C4 | 180.0° | 179.9° |
| N | CA | C | CB | 129.7° | 120.0° |
| N | CA | C | HA | 107.4° | 120.0° |
| N | CA | CB | HA | 110.2° | 120.0° |
| N | CA | C | O | 39.2° | 10.6° |
| N | CA | CB | CG1 | 68.7° | 51.2° |
| N | CA | CB | CG2 | 54.7° | 68.8° |
| N | CA | CB | HB | 172.8° | 171.3° |
| N | CA | C | N1 | 138.1° | 169.4° |
| H | N | CA | C | 126.1° | 37.9° |
| H | N | CA | CB | 1.9° | 82.1° |
| H | N | CA | HA | 124.0° | 158.0° |
| C | CA | CB | HA | 113.7° | 120.0° |
| CA | C | O | N1 | 177.2° | 179.9° |
| C | CA | CB | CG1 | 67.4° | 68.8° |
| C | CA | CB | CG2 | 169.2° | 171.2° |
| C | CA | CB | HB | 51.1° | 51.2° |
| CA | C | N1 | CA1 | 179.0° | 173.3° |
| CA | C | N1 | CD | 19.9° | 6.4° |
| C | CA | N | C4 | 54.0° | 142.1° |
| CB | CA | C | O | 90.5° | 109.4° |
| CA | CB | CG1 | CG2 | 123.2° | 119.9° |
| CA | CB | CG1 | HB | 118.6° | 120.1° |
| CA | CB | CG2 | HB | 118.6° | 120.0° |
| CA | CB | CG1 | CD1 | 171.5° | 68.2° |
| CA | CB | CG1 | HG12 | 68.6° | 171.8° |
| CA | CB | CG1 | HG13 | 51.5° | 51.8° |
| CA | CB | CG2 | HG21 | 180.0° | 66.2° |
| CA | CB | CG2 | HG22 | 60.0° | 173.8° |
| CA | CB | CG2 | HG23 | 60.0° | 53.8° |
| CB | CA | N | C4 | 178.1° | 97.9° |
| CB | CA | C | N1 | 92.2° | 70.6° |
| HA | CA | C | O | 146.6° | 130.6° |
| HA | CA | CB | CG1 | 178.9° | 171.2° |
| HA | CA | CB | CG2 | 55.5° | 51.2° |
| HA | CA | CB | HB | 62.6° | 68.7° |
| HA | CA | N | C4 | 56.0° | 22.1° |
| HA | CA | C | N1 | 30.8° | 49.3° |
| O | C | N1 | CA1 | 3.7° | 6.6° |
| O | C | N1 | CD | 157.4° | 173.6° |
| CG1 | CB | CG2 | HB | 118.4° | 120.0° |
| CB | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB | CG1 | CD1 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 118.4° | 120.1° |
| CG1 | CB | CG2 | HG21 | 57.0° | 53.8° |
| CG1 | CB | CG2 | HG22 | 177.1° | 66.2° |
| CG1 | CB | CG2 | HG23 | 62.9° | 173.8° |
| CB | CG1 | CD1 | HD11 | 180.0° | 38.0° |
| CB | CG1 | CD1 | HD12 | 60.0° | 158.0° |
| CB | CG1 | CD1 | HD13 | 60.0° | 82.0° |
| CG2 | CB | CG1 | CD1 | 65.3° | 171.8° |
| CG2 | CB | CG1 | HG12 | 54.6° | 51.8° |
| CG2 | CB | CG1 | HG13 | 174.7° | 68.2° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 119.9° |
| HB | CB | CG1 | CD1 | 52.8° | 51.9° |
| HB | CB | CG1 | HG12 | 172.8° | 68.1° |
| HB | CB | CG1 | HG13 | 67.1° | 171.9° |
| HB | CB | CG2 | HG21 | 61.4° | 173.8° |
| HB | CB | CG2 | HG22 | 58.6° | 53.8° |
| HB | CB | CG2 | HG23 | 178.6° | 66.1° |
| CD1 | CG1 | HG12 | HG13 | 118.3° | 119.9° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HG12 | CG1 | CD1 | HD11 | 60.0° | 82.0° |
| HG12 | CG1 | CD1 | HD12 | 180.0° | 38.0° |
| HG12 | CG1 | CD1 | HD13 | 60.0° | 158.0° |
| HG13 | CG1 | CD1 | HD11 | 60.0° | 158.0° |
| HG13 | CG1 | CD1 | HD12 | 60.0° | 82.0° |
| HG13 | CG1 | CD1 | HD13 | 180.0° | 38.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CA1 | N1 | CD | C | 163.8° | 179.8° |
| N1 | CA1 | C5 | CB1 | 112.5° | 117.8° |
| N1 | CA1 | C5 | HA1 | 124.0° | 121.0° |
| N1 | CA1 | CB1 | HA1 | 123.4° | 119.5° |
| N1 | CA1 | C5 | O3 | 8.9° | 12.9° |
| N1 | CA1 | C5 | OXT | 173.7° | 167.0° |
| N1 | CA1 | CB1 | CG | 19.8° | 22.2° |
| N1 | CA1 | CB1 | HB2 | 100.2° | 96.2° |
| N1 | CA1 | CB1 | HB3 | 139.8° | 140.6° |
| CA1 | N1 | CD | CG | 33.3° | 23.8° |
| CA1 | N1 | CD | HD2 | 153.3° | 142.7° |
| CA1 | N1 | CD | HD3 | 86.7° | 94.9° |
| CD | N1 | CA1 | C5 | 108.4° | 118.6° |
| CD | N1 | CA1 | CB1 | 8.4° | 0.8° |
| CD | N1 | CA1 | HA1 | 131.4° | 120.4° |
| N1 | CD | CG | CB1 | 43.9° | 36.7° |
| N1 | CD | CG | HD2 | 120.0° | 118.9° |
| N1 | CD | CG | HD3 | 120.0° | 118.9° |
| N1 | CD | CG | HG2 | 163.9° | 154.9° |
| N1 | CD | CG | HG3 | 76.1° | 81.3° |
| N1 | CD | HD2 | HD3 | 123.3° | 122.3° |
| C5 | CA1 | CB1 | HA1 | 120.2° | 121.1° |
| CA1 | C5 | O3 | OXT | 177.4° | 180.0° |
| C5 | CA1 | CB1 | CG | 136.1° | 141.6° |
| C5 | CA1 | CB1 | HB2 | 16.2° | 23.2° |
| C5 | CA1 | CB1 | HB3 | 103.9° | 100.0° |
| CA1 | C5 | OXT | HXT | 177.4° | 180.0° |
| C5 | CA1 | N1 | C | 88.5° | 61.6° |
| CB1 | CA1 | C5 | O3 | 103.6° | 104.9° |
| CB1 | CA1 | C5 | OXT | 73.8° | 75.2° |
| CA1 | CB1 | CG | HB2 | 120.0° | 118.4° |
| CA1 | CB1 | CG | HB3 | 120.0° | 118.3° |
| CA1 | CB1 | HB2 | HB3 | 122.0° | 123.2° |
| CA1 | CB1 | CG | CD | 39.8° | 35.4° |
| CA1 | CB1 | CG | HG2 | 159.8° | 153.6° |
| CA1 | CB1 | CG | HG3 | 80.2° | 82.6° |
| CB1 | CA1 | N1 | C | 154.6° | 179.0° |
| HA1 | CA1 | C5 | O3 | 132.8° | 133.9° |
| HA1 | CA1 | C5 | OXT | 49.7° | 46.0° |
| HA1 | CA1 | CB1 | CG | 103.7° | 97.2° |
| HA1 | CA1 | CB1 | HB2 | 136.3° | 144.3° |
| HA1 | CA1 | CB1 | HB3 | 16.3° | 21.1° |
| HA1 | CA1 | N1 | C | 31.6° | 59.4° |
| O3 | C5 | OXT | HXT | 0.0° | 0.1° |
| CG | CB1 | HB2 | HB3 | 122.0° | 123.2° |
| CB1 | CG | CD | HG2 | 120.0° | 118.2° |
| CB1 | CG | CD | HG3 | 120.0° | 118.1° |
| CB1 | CG | HG2 | HG3 | 123.4° | 123.9° |
| CB1 | CG | CD | HD2 | 163.9° | 155.7° |
| CB1 | CG | CD | HD3 | 76.1° | 82.1° |
| HB2 | CB1 | CG | CD | 80.2° | 83.1° |
| HB2 | CB1 | CG | HG2 | 39.8° | 35.2° |
| HB2 | CB1 | CG | HG3 | 159.8° | 159.0° |
| HB3 | CB1 | CG | CD | 159.8° | 153.7° |
| HB3 | CB1 | CG | HG2 | 80.2° | 88.0° |
| HB3 | CB1 | CG | HG3 | 39.9° | 35.7° |
| CD | CG | HG2 | HG3 | 123.4° | 123.7° |
| CG | CD | HD2 | HD3 | 123.3° | 122.1° |
| CG | CD | N1 | C | 130.5° | 156.0° |
| HG2 | CG | CD | HD2 | 76.1° | 86.2° |
| HG2 | CG | CD | HD3 | 43.9° | 36.0° |
| HG3 | CG | CD | HD2 | 43.9° | 37.6° |
| HG3 | CG | CD | HD3 | 163.9° | 159.8° |
| HD2 | CD | N1 | C | 10.5° | 37.0° |
| HD3 | CD | N1 | C | 109.5° | 85.3° |
| C21 | C11 | O5 | H11 | 120.0° | 120.0° |
| C21 | C11 | O5 | H12 | 120.0° | 120.1° |
| C21 | C11 | H11 | H12 | 119.8° | 120.0° |
| C11 | C21 | H21 | H22 | 120.0° | 119.9° |
| C11 | C21 | H21 | H23 | 120.0° | 120.0° |
| C11 | C21 | H22 | H23 | 120.0° | 120.0° |
| C21 | C11 | O5 | C1 | 125.7° | 180.0° |
| O5 | C11 | H11 | H12 | 119.8° | 120.0° |
| O5 | C11 | C21 | H21 | 180.0° | 60.0° |
| O5 | C11 | C21 | H22 | 60.0° | 60.0° |
| O5 | C11 | C21 | H23 | 60.0° | 180.0° |
| H11 | C11 | C21 | H21 | 60.0° | 60.0° |
| H11 | C11 | C21 | H22 | 60.0° | 180.0° |
| H11 | C11 | C21 | H23 | 180.0° | 60.0° |
| H11 | C11 | O5 | C1 | 5.7° | 60.0° |
| H12 | C11 | C21 | H21 | 60.0° | 179.9° |
| H12 | C11 | C21 | H22 | 180.0° | 60.1° |
| H12 | C11 | C21 | H23 | 60.0° | 59.9° |
| H12 | C11 | O5 | C1 | 114.3° | 59.9° |
| H21 | C21 | H22 | H23 | 120.0° | 120.1° |
