X5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| C31 | N | sing | 1.47Å | 1.46Å | |
| C31 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | C1 | doub | 1.31Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| O2 | C4 | doub | 1.21Å | 1.29Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C4 | O3 | sing | 1.34Å | 1.39Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA3 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.0° | 120.1° |
| O | C | OXT | 122.8° | 120.0° |
| C | CA | N | 112.8° | 109.4° |
| CA | C | OXT | 116.2° | 120.0° |
| C | CA | HA2 | 108.6° | 109.5° |
| C | CA | HA3 | 108.6° | 109.5° |
| CA | N | C31 | 104.0° | 111.0° |
| CA | N | H | 110.8° | 111.0° |
| N | CA | HA2 | 108.7° | 109.5° |
| N | CA | HA3 | 108.6° | 109.4° |
| N | C31 | C11 | 109.7° | 109.5° |
| C31 | N | H | 110.8° | 111.0° |
| N | C31 | H11 | 109.4° | 109.5° |
| N | C31 | H12 | 109.4° | 109.5° |
| C31 | C11 | C1 | 120.1° | 120.0° |
| C31 | C11 | H6 | 120.0° | 120.0° |
| C11 | C31 | H11 | 109.4° | 109.5° |
| C11 | C31 | H12 | 109.4° | 109.5° |
| C11 | C1 | C2 | 120.8° | 120.0° |
| C11 | C1 | H1 | 119.6° | 120.0° |
| C1 | C11 | H6 | 119.9° | 120.0° |
| C1 | C2 | C3 | 112.0° | 109.5° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C2 | H7 | 108.9° | 109.5° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| C2 | C3 | C4 | 108.5° | 109.5° |
| C3 | C2 | H7 | 108.8° | 109.5° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 109.7° | 109.5° |
| C2 | C3 | H5 | 109.7° | 109.5° |
| C3 | C4 | O2 | 119.9° | 119.9° |
| C3 | C4 | O3 | 121.5° | 120.0° |
| C4 | C3 | H4 | 109.7° | 109.5° |
| C4 | C3 | H5 | 109.7° | 109.5° |
| O2 | C4 | O3 | 118.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C4 | O3 | H14 | 109.5° | 117.0° |
| H7 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| HA2 | CA | HA3 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 180.0° |
| O | C | CA | N | 141.1° | 0.0° |
| O | C | CA | HA2 | 98.3° | 120.0° |
| O | C | CA | HA3 | 20.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | HA2 | 120.5° | 120.0° |
| C | CA | N | HA3 | 120.5° | 120.0° |
| C | CA | N | C31 | 146.4° | 180.0° |
| C | CA | N | H | 94.5° | 56.0° |
| C | CA | HA2 | HA3 | 118.5° | 120.1° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CA | N | C31 | H | 119.1° | 124.0° |
| CA | N | C31 | C11 | 77.7° | 180.0° |
| N | CA | C | OXT | 38.9° | 180.0° |
| N | CA | HA2 | HA3 | 118.5° | 120.0° |
| CA | N | C31 | H11 | 42.3° | 60.0° |
| CA | N | C31 | H12 | 162.3° | 60.0° |
| N | C31 | C11 | H11 | 120.0° | 120.0° |
| N | C31 | C11 | H12 | 120.0° | 120.0° |
| N | C31 | C11 | C1 | 133.1° | 125.0° |
| N | C31 | C11 | H6 | 46.9° | 55.1° |
| C31 | N | CA | HA2 | 25.9° | 60.0° |
| C31 | N | CA | HA3 | 93.1° | 60.0° |
| N | C31 | H11 | H12 | 119.9° | 120.0° |
| C31 | C11 | C1 | H6 | 180.0° | 179.9° |
| C31 | C11 | C1 | C2 | 179.8° | 180.0° |
| C31 | C11 | C1 | H1 | 0.2° | 0.2° |
| C11 | C31 | N | H | 163.2° | 56.0° |
| C11 | C31 | H11 | H12 | 119.9° | 120.0° |
| C11 | C1 | C2 | H1 | 180.0° | 179.8° |
| C11 | C1 | C2 | C3 | 118.7° | 125.2° |
| C11 | C1 | C2 | H7 | 1.7° | 114.7° |
| C11 | C1 | C2 | H3 | 121.0° | 5.2° |
| C1 | C11 | C31 | H11 | 106.9° | 115.0° |
| C1 | C11 | C31 | H12 | 13.0° | 5.1° |
| C1 | C2 | C3 | H7 | 120.4° | 120.0° |
| C1 | C2 | C3 | H3 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 52.5° | 180.0° |
| C1 | C2 | H7 | H3 | 118.9° | 120.0° |
| C1 | C2 | C3 | H4 | 172.3° | 60.0° |
| C1 | C2 | C3 | H5 | 67.4° | 60.0° |
| C2 | C1 | C11 | H6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 119.8° | 120.0° |
| C2 | C3 | C4 | H5 | 119.9° | 120.0° |
| C2 | C3 | C4 | O2 | 69.4° | 0.1° |
| C2 | C3 | C4 | O3 | 106.5° | 180.0° |
| C3 | C2 | C1 | H1 | 61.3° | 55.0° |
| C3 | C2 | H7 | H3 | 118.8° | 120.0° |
| C2 | C3 | H4 | H5 | 120.4° | 120.0° |
| C3 | C4 | O2 | O3 | 176.0° | 179.9° |
| C4 | C3 | C2 | H7 | 67.9° | 60.0° |
| C4 | C3 | C2 | H3 | 172.8° | 60.0° |
| C4 | C3 | H4 | H5 | 120.5° | 120.0° |
| C3 | C4 | O3 | H14 | 176.0° | 180.0° |
| O2 | C4 | C3 | H4 | 50.4° | 120.0° |
| O2 | C4 | C3 | H5 | 170.7° | 120.1° |
| O2 | C4 | O3 | H14 | 0.0° | 0.0° |
| OXT | C | CA | HA2 | 81.7° | 60.0° |
| OXT | C | CA | HA3 | 159.3° | 60.1° |
| O3 | C4 | C3 | H4 | 133.7° | 60.0° |
| O3 | C4 | C3 | H5 | 13.4° | 60.0° |
| H1 | C1 | C2 | H7 | 178.3° | 65.1° |
| H1 | C1 | C2 | H3 | 59.0° | 175.0° |
| H1 | C1 | C11 | H6 | 179.8° | 179.7° |
| H7 | C2 | C3 | H4 | 51.9° | 180.0° |
| H7 | C2 | C3 | H5 | 172.2° | 60.0° |
| H3 | C2 | C3 | H4 | 67.3° | 60.0° |
| H3 | C2 | C3 | H5 | 53.0° | NaN° |
| H6 | C11 | C31 | H11 | 73.1° | 64.9° |
| H6 | C11 | C31 | H12 | 167.0° | 175.0° |
| H | N | CA | HA2 | 145.0° | 64.0° |
| H | N | CA | HA3 | 26.0° | 176.0° |
| H | N | C31 | H11 | 76.8° | 64.0° |
| H | N | C31 | H12 | 43.1° | 176.0° |
