LOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH2 | CG | sing | 1.43Å | 1.43Å | |
| CE | NZ | sing | 1.47Å | 1.45Å | |
| CE | CD | sing | 1.53Å | 1.48Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| OH1 | CB | sing | 1.43Å | 1.40Å | |
| CB | CA | sing | 1.53Å | 1.45Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.57Å | |
| NZ | H1 | sing | 1.01Å | 1.00Å | |
| NZ | H12 | sing | 1.01Å | 1.00Å | |
| CE | H4 | sing | 1.09Å | 1.10Å | |
| CE | H5 | sing | 1.09Å | 1.10Å | |
| CD | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OH1 | H14 | sing | 0.97Å | 0.95Å | |
| OH2 | H15 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH2 | CG | CD | 106.8° | 109.4° |
| OH2 | CG | CB | 105.6° | 109.5° |
| OH2 | CG | H8 | 111.3° | 109.5° |
| CG | OH2 | H15 | 109.5° | 114.0° |
| NZ | CE | CD | 113.3° | 109.5° |
| CE | NZ | H1 | 109.5° | 111.0° |
| CE | NZ | H12 | 109.5° | 111.0° |
| NZ | CE | H4 | 108.5° | 109.5° |
| NZ | CE | H5 | 108.5° | 109.5° |
| CE | CD | CG | 110.9° | 109.5° |
| CD | CE | H4 | 108.5° | 109.4° |
| CD | CE | H5 | 108.5° | 109.5° |
| CE | CD | H6 | 109.1° | 109.4° |
| CE | CD | H7 | 109.1° | 109.5° |
| CD | CG | CB | 113.3° | 109.5° |
| CG | CD | H6 | 109.1° | 109.4° |
| CG | CD | H7 | 109.1° | 109.5° |
| CD | CG | H8 | 109.6° | 109.5° |
| CG | CB | OH1 | 117.0° | 109.5° |
| CG | CB | CA | 106.6° | 109.5° |
| CB | CG | H8 | 110.0° | 109.5° |
| CG | CB | H9 | 104.5° | 109.5° |
| OH1 | CB | CA | 116.3° | 109.4° |
| OH1 | CB | H9 | 105.9° | 109.5° |
| CB | OH1 | H14 | 109.5° | 113.9° |
| CB | CA | N | 102.7° | 109.5° |
| CB | CA | C | 99.8° | 109.4° |
| CA | CB | H9 | 105.3° | 109.5° |
| CB | CA | HA | 116.5° | 109.5° |
| N | CA | C | 103.5° | 109.5° |
| N | CA | HA | 116.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 123.4° | 120.0° |
| CA | C | OXT | 129.8° | 120.0° |
| C | CA | HA | 116.0° | 109.5° |
| O | C | OXT | 103.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | NZ | H12 | 109.5° | 111.0° |
| H4 | CE | H5 | 109.5° | 109.5° |
| H6 | CD | H7 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH2 | CG | CD | CE | 57.8° | 65.1° |
| OH2 | CG | CD | CB | 115.9° | 120.0° |
| OH2 | CG | CD | H8 | 120.7° | 120.0° |
| OH2 | CG | CB | H8 | 120.2° | 120.0° |
| OH2 | CG | CB | OH1 | 54.6° | 62.3° |
| OH2 | CG | CB | CA | 173.3° | 57.7° |
| OH2 | CG | CD | H6 | 178.0° | 175.0° |
| OH2 | CG | CD | H7 | 62.4° | 55.0° |
| OH2 | CG | CB | H9 | 62.0° | 177.6° |
| NZ | CE | CD | H4 | 120.5° | 119.9° |
| NZ | CE | CD | H5 | 120.6° | 120.1° |
| NZ | CE | CD | CG | 170.5° | 180.0° |
| CE | NZ | H1 | H12 | 120.0° | 124.0° |
| NZ | CE | H4 | H5 | 118.3° | 120.1° |
| NZ | CE | CD | H6 | 69.3° | 60.1° |
| NZ | CE | CD | H7 | 50.3° | 60.0° |
| CE | CD | CG | H6 | 120.2° | 119.9° |
| CE | CD | CG | H7 | 120.2° | 120.1° |
| CE | CD | CG | CB | 173.7° | 175.0° |
| CD | CE | NZ | H1 | 180.0° | 180.0° |
| CD | CE | NZ | H12 | 60.0° | 56.0° |
| CD | CE | H4 | H5 | 118.3° | 120.0° |
| CE | CD | H6 | H7 | 119.3° | 120.0° |
| CE | CD | CG | H8 | 62.9° | 54.9° |
| CD | CG | CB | H8 | 123.2° | 120.1° |
| CD | CG | CB | OH1 | 171.2° | 57.6° |
| CD | CG | CB | CA | 56.7° | 177.6° |
| CG | CD | CE | H4 | 49.9° | 60.1° |
| CG | CD | CE | H5 | 69.0° | 59.9° |
| CG | CD | H6 | H7 | 119.3° | 120.0° |
| CD | CG | CB | H9 | 54.6° | 62.4° |
| CD | CG | OH2 | H15 | 180.0° | 60.0° |
| CG | CB | OH1 | CA | 127.5° | 120.0° |
| CG | CB | OH1 | H9 | 115.9° | 120.0° |
| CG | CB | CA | H9 | 110.7° | 120.0° |
| CG | CB | CA | N | 89.1° | 174.4° |
| CG | CB | CA | C | 164.5° | 65.6° |
| CB | CG | CD | H6 | 66.1° | 55.1° |
| CB | CG | CD | H7 | 53.5° | 65.0° |
| CG | CB | CA | HA | 38.8° | 54.4° |
| CG | CB | OH1 | H14 | 180.0° | 60.0° |
| CB | CG | OH2 | H15 | 59.0° | 59.9° |
| OH1 | CB | CA | H9 | 116.8° | 120.0° |
| OH1 | CB | CA | N | 43.4° | 54.4° |
| OH1 | CB | CA | C | 63.0° | 174.4° |
| OH1 | CB | CG | H8 | 65.6° | 177.7° |
| OH1 | CB | CA | HA | 171.3° | 65.6° |
| CB | CA | N | C | 103.5° | 119.9° |
| CB | CA | N | HA | 128.3° | 120.0° |
| CB | CA | C | HA | 126.1° | 120.0° |
| CB | CA | C | O | 89.4° | 100.0° |
| CB | CA | C | OXT | 113.4° | 80.0° |
| CA | CB | CG | H8 | 66.5° | 62.3° |
| CB | CA | N | H | 180.0° | 54.8° |
| CB | CA | N | H2 | 60.0° | 69.2° |
| CA | CB | OH1 | H14 | 52.4° | 60.0° |
| N | CA | C | HA | 128.2° | 120.1° |
| N | CA | C | O | 164.8° | 20.0° |
| N | CA | C | OXT | 7.7° | 160.0° |
| N | CA | CB | H9 | 160.2° | 65.6° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | O | OXT | 162.1° | 180.0° |
| C | CA | CB | H9 | 53.8° | 54.4° |
| C | CA | N | H | 76.5° | 65.1° |
| C | CA | N | H2 | 43.5° | 170.8° |
| CA | C | OXT | HXT | 160.5° | 180.0° |
| O | C | CA | HA | 36.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 120.5° | 40.0° |
| H1 | NZ | CE | H4 | 59.5° | 60.0° |
| H1 | NZ | CE | H5 | 59.4° | 60.0° |
| H12 | NZ | CE | H4 | 60.5° | 63.9° |
| H12 | NZ | CE | H5 | 179.4° | 176.0° |
| H4 | CE | CD | H6 | 170.1° | 180.0° |
| H4 | CE | CD | H7 | 70.3° | 60.0° |
| H5 | CE | CD | H6 | 51.2° | 60.0° |
| H5 | CE | CD | H7 | 170.8° | 180.0° |
| H6 | CD | CG | H8 | 57.3° | 65.0° |
| H7 | CD | CG | H8 | 176.9° | 175.0° |
| H8 | CG | CB | H9 | 177.7° | 57.6° |
| H8 | CG | OH2 | H15 | 60.4° | 180.0° |
| H9 | CB | CA | HA | 71.9° | 174.4° |
| H9 | CB | OH1 | H14 | 64.1° | 180.0° |
| HA | CA | N | H | 51.7° | 174.9° |
| HA | CA | N | H2 | 171.7° | 50.8° |
