LHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA2 | sing | 1.47Å | 1.46Å | |
| CA2 | C25 | sing | 1.53Å | 1.54Å | |
| CA2 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C20 | sing | 1.53Å | 1.52Å | |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| C20 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | CA | sing | 1.47Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | C27 | sing | 1.53Å | 1.57Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C28 | C29 | sing | 1.53Å | 1.60Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA2 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| O6 | H40 | sing | 0.97Å | 0.95Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| N5 | H43 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA2 | C25 | 109.2° | 109.5° |
| N | CA2 | C21 | 103.6° | 109.5° |
| CA2 | N | H | 109.5° | 111.0° |
| N | CA2 | H29 | 111.8° | 109.5° |
| CA2 | N | H2 | 109.5° | 111.0° |
| C25 | CA2 | C21 | 110.5° | 109.4° |
| CA2 | C25 | C20 | 110.0° | 109.4° |
| CA2 | C25 | O6 | 110.8° | 109.4° |
| C25 | CA2 | H29 | 110.5° | 109.5° |
| CA2 | C25 | H39 | 107.8° | 109.4° |
| CA2 | C21 | C22 | 112.8° | 109.5° |
| C21 | CA2 | H29 | 110.9° | 109.5° |
| CA2 | C21 | H30 | 108.6° | 109.5° |
| CA2 | C21 | H31 | 108.6° | 109.5° |
| C21 | C22 | C24 | 116.1° | 109.5° |
| C21 | C22 | C23 | 105.3° | 109.5° |
| C22 | C21 | H30 | 108.6° | 109.5° |
| C22 | C21 | H31 | 108.6° | 109.4° |
| C21 | C22 | H32 | 108.7° | 109.5° |
| C24 | C22 | C23 | 108.8° | 109.4° |
| C24 | C22 | H32 | 108.7° | 109.4° |
| C22 | C24 | H36 | 109.5° | 109.5° |
| C22 | C24 | H37 | 109.5° | 109.5° |
| C22 | C24 | H38 | 109.5° | 109.5° |
| C23 | C22 | H32 | 109.0° | 109.4° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C22 | C23 | H34 | 109.5° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.4° |
| C20 | C25 | O6 | 110.8° | 109.5° |
| C25 | C20 | N5 | 116.0° | 109.5° |
| C20 | C25 | H39 | 108.0° | 109.5° |
| C25 | C20 | H41 | 107.8° | 109.5° |
| C25 | C20 | H42 | 107.8° | 109.5° |
| O6 | C25 | H39 | 109.3° | 109.5° |
| C25 | O6 | H40 | 109.5° | 114.1° |
| C20 | N5 | CA | 108.3° | 111.0° |
| N5 | C20 | H41 | 107.8° | 109.5° |
| N5 | C20 | H42 | 107.8° | 109.5° |
| C20 | N5 | H43 | 109.8° | 111.0° |
| N5 | CA | C | 106.2° | 109.5° |
| N5 | CA | C27 | 118.0° | 109.5° |
| CA | N5 | H43 | 109.8° | 111.0° |
| N5 | CA | HA | 106.8° | 109.5° |
| C | CA | C27 | 112.6° | 109.4° |
| CA | C | O | 118.8° | 120.0° |
| CA | C | OXT | 116.5° | 120.0° |
| C | CA | HA | 106.4° | 109.4° |
| CA | C27 | C28 | 114.4° | 109.4° |
| C27 | CA | HA | 106.1° | 109.5° |
| CA | C27 | H46 | 108.2° | 109.5° |
| CA | C27 | H47 | 108.2° | 109.5° |
| C27 | C28 | C29 | 113.2° | 109.5° |
| C28 | C27 | H46 | 108.2° | 109.4° |
| C28 | C27 | H47 | 108.2° | 109.5° |
| C27 | C28 | H48 | 108.5° | 109.4° |
| C27 | C28 | H49 | 108.5° | 109.5° |
| C29 | C28 | H48 | 108.5° | 109.5° |
| C29 | C28 | H49 | 108.5° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.4° |
| O | C | OXT | 124.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H30 | C21 | H31 | 109.5° | 109.4° |
| H33 | C23 | H34 | 109.5° | 109.4° |
| H33 | C23 | H35 | 109.4° | 109.4° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H36 | C24 | H38 | 109.5° | 109.4° |
| H37 | C24 | H38 | 109.5° | 109.4° |
| H41 | C20 | H42 | 109.5° | 109.4° |
| H46 | C27 | H47 | 109.5° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H52 | 109.4° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA2 | C25 | C21 | 113.4° | 120.0° |
| N | CA2 | C25 | H29 | 123.4° | 120.0° |
| N | CA2 | C21 | H29 | 120.2° | 120.0° |
| N | CA2 | C21 | C22 | 96.0° | 65.0° |
| N | CA2 | C25 | C20 | 59.4° | 60.0° |
| N | CA2 | C25 | O6 | 177.7° | 180.0° |
| CA2 | N | H | H2 | 120.0° | 124.0° |
| N | CA2 | C21 | H30 | 24.5° | 55.0° |
| N | CA2 | C21 | H31 | 143.5° | 175.0° |
| N | CA2 | C25 | H39 | 58.1° | 60.0° |
| C25 | CA2 | C21 | H29 | 123.0° | 120.0° |
| C25 | CA2 | C21 | C22 | 147.2° | 175.0° |
| CA2 | C25 | C20 | O6 | 122.9° | 120.0° |
| CA2 | C25 | C20 | H39 | 117.4° | 120.0° |
| CA2 | C25 | O6 | H39 | 118.6° | 120.0° |
| CA2 | C25 | C20 | N5 | 137.8° | 175.0° |
| C25 | CA2 | N | H | 180.0° | 60.0° |
| C25 | CA2 | C21 | H30 | 92.4° | 65.0° |
| C25 | CA2 | C21 | H31 | 26.6° | 55.0° |
| CA2 | C25 | O6 | H40 | 180.0° | 60.0° |
| CA2 | C25 | C20 | H41 | 101.3° | 55.0° |
| CA2 | C25 | C20 | H42 | 16.8° | 65.0° |
| C25 | CA2 | N | H2 | 60.0° | 176.1° |
| CA2 | C21 | C22 | H30 | 120.5° | 120.1° |
| CA2 | C21 | C22 | H31 | 120.5° | 120.0° |
| CA2 | C21 | C22 | C24 | 37.2° | 65.0° |
| CA2 | C21 | C22 | C23 | 157.6° | 175.0° |
| C21 | CA2 | C25 | C20 | 172.8° | 180.0° |
| C21 | CA2 | C25 | O6 | 64.3° | 60.0° |
| C21 | CA2 | N | H | 62.2° | 60.0° |
| CA2 | C21 | H30 | H31 | 118.5° | 120.0° |
| CA2 | C21 | C22 | H32 | 85.7° | 55.0° |
| C21 | CA2 | C25 | H39 | 55.3° | 60.0° |
| C21 | CA2 | N | H2 | 177.8° | 64.0° |
| C21 | C22 | C24 | C23 | 118.5° | 120.1° |
| C21 | C22 | C24 | H32 | 122.9° | 120.0° |
| C21 | C22 | C23 | H32 | 116.5° | 120.0° |
| C22 | C21 | CA2 | H29 | 24.2° | 55.0° |
| C22 | C21 | H30 | H31 | 118.5° | 119.9° |
| C21 | C22 | C23 | H33 | 180.0° | 60.0° |
| C21 | C22 | C23 | H34 | 60.0° | 180.0° |
| C21 | C22 | C23 | H35 | 60.0° | 59.9° |
| C21 | C22 | C24 | H36 | 180.0° | 180.0° |
| C21 | C22 | C24 | H37 | 60.0° | 60.0° |
| C21 | C22 | C24 | H38 | 60.0° | 59.9° |
| C24 | C22 | C23 | H32 | 118.4° | 119.9° |
| C24 | C22 | C21 | H30 | 83.3° | 174.9° |
| C24 | C22 | C21 | H31 | 157.7° | 55.0° |
| C24 | C22 | C23 | H33 | 54.9° | 60.1° |
| C24 | C22 | C23 | H34 | 65.1° | 59.9° |
| C24 | C22 | C23 | H35 | 174.9° | 180.0° |
| C22 | C24 | H36 | H37 | 120.0° | 120.0° |
| C22 | C24 | H36 | H38 | 120.0° | 120.1° |
| C22 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C22 | C21 | H30 | 37.1° | 54.9° |
| C23 | C22 | C21 | H31 | 81.9° | 65.0° |
| C22 | C23 | H33 | H34 | 120.0° | 120.1° |
| C22 | C23 | H33 | H35 | 120.0° | 119.9° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C23 | C22 | C24 | H36 | 61.5° | 60.0° |
| C23 | C22 | C24 | H37 | 178.5° | 60.1° |
| C23 | C22 | C24 | H38 | 58.5° | 180.0° |
| C20 | C25 | O6 | H39 | 118.9° | 120.1° |
| C25 | C20 | N5 | H41 | 121.0° | 120.0° |
| C25 | C20 | N5 | H42 | 120.9° | 120.0° |
| C25 | C20 | N5 | CA | 143.1° | 180.0° |
| C20 | C25 | CA2 | H29 | 64.0° | 60.0° |
| C20 | C25 | O6 | H40 | 57.6° | 59.9° |
| C25 | C20 | H41 | H42 | 117.0° | 120.0° |
| C25 | C20 | N5 | H43 | 23.3° | 56.0° |
| O6 | C25 | C20 | N5 | 14.9° | 65.1° |
| O6 | C25 | CA2 | H29 | 58.9° | 60.0° |
| O6 | C25 | C20 | H41 | 135.9° | 174.9° |
| O6 | C25 | C20 | H42 | 106.1° | 54.9° |
| C20 | N5 | CA | H43 | 119.8° | 123.9° |
| C20 | N5 | CA | C | 111.1° | 85.0° |
| C20 | N5 | CA | C27 | 121.4° | 155.0° |
| N5 | C20 | C25 | H39 | 104.8° | 55.0° |
| N5 | C20 | H41 | H42 | 117.0° | 120.0° |
| C20 | N5 | CA | HA | 2.1° | 35.0° |
| N5 | CA | C | C27 | 130.6° | 120.0° |
| N5 | CA | C | HA | 113.5° | 120.0° |
| N5 | CA | C27 | HA | 119.6° | 120.0° |
| N5 | CA | C27 | C28 | 49.9° | 65.0° |
| N5 | CA | C | O | 103.3° | 0.0° |
| N5 | CA | C | OXT | 73.6° | 180.0° |
| CA | N5 | C20 | H41 | 95.9° | 60.0° |
| CA | N5 | C20 | H42 | 22.2° | 60.0° |
| N5 | CA | C27 | H46 | 170.6° | 54.9° |
| N5 | CA | C27 | H47 | 70.8° | 175.0° |
| C | CA | C27 | HA | 116.0° | 119.9° |
| C | CA | C27 | C28 | 74.5° | 175.0° |
| CA | C | O | OXT | 176.6° | 180.0° |
| C | CA | N5 | H43 | 129.0° | 151.1° |
| C | CA | C27 | H46 | 46.3° | 65.1° |
| C | CA | C27 | H47 | 164.8° | 55.0° |
| CA | C | OXT | HXT | 176.7° | 180.0° |
| CA | C27 | C28 | H46 | 120.7° | 120.0° |
| CA | C27 | C28 | H47 | 120.7° | 120.0° |
| CA | C27 | C28 | C29 | 160.4° | 180.0° |
| C27 | CA | C | O | 126.1° | 120.0° |
| C27 | CA | C | OXT | 57.0° | 60.0° |
| C27 | CA | N5 | H43 | 1.6° | 31.1° |
| CA | C27 | H46 | H47 | 117.7° | 120.1° |
| CA | C27 | C28 | H48 | 39.9° | 60.0° |
| CA | C27 | C28 | H49 | 79.0° | 60.0° |
| C27 | C28 | C29 | H48 | 120.5° | 120.0° |
| C27 | C28 | C29 | H49 | 120.5° | 120.0° |
| C28 | C27 | CA | HA | 169.5° | 55.1° |
| C28 | C27 | H46 | H47 | 117.8° | 120.0° |
| C27 | C28 | H48 | H49 | 118.3° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 60.0° |
| C27 | C28 | C29 | H51 | 60.0° | 60.0° |
| C27 | C28 | C29 | H52 | 60.0° | 180.0° |
| C29 | C28 | C27 | H46 | 78.9° | 60.0° |
| C29 | C28 | C27 | H47 | 39.7° | 60.0° |
| C29 | C28 | H48 | H49 | 118.3° | 120.1° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 119.9° |
| O | C | CA | HA | 10.2° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 172.9° | 60.0° |
| H | N | CA2 | H29 | 57.4° | 180.0° |
| H29 | CA2 | C21 | H30 | 144.6° | 175.0° |
| H29 | CA2 | C21 | H31 | 96.3° | 65.0° |
| H29 | CA2 | C25 | H39 | 178.5° | 180.0° |
| H29 | CA2 | N | H2 | 62.6° | 56.0° |
| H30 | C21 | C22 | H32 | 153.9° | 65.1° |
| H31 | C21 | C22 | H32 | 34.8° | 175.0° |
| H32 | C22 | C23 | H33 | 63.5° | 180.0° |
| H32 | C22 | C23 | H34 | 176.5° | 60.0° |
| H32 | C22 | C23 | H35 | 56.5° | 60.1° |
| H32 | C22 | C24 | H36 | 57.1° | 60.0° |
| H32 | C22 | C24 | H37 | 62.9° | 180.0° |
| H32 | C22 | C24 | H38 | 177.1° | 60.1° |
| H33 | C23 | H34 | H35 | 119.9° | 120.0° |
| H36 | C24 | H37 | H38 | 120.0° | 119.9° |
| H39 | C25 | O6 | H40 | 61.3° | 180.0° |
| H39 | C25 | C20 | H41 | 16.1° | 65.0° |
| H39 | C25 | C20 | H42 | 134.2° | 175.0° |
| H41 | C20 | N5 | H43 | 144.3° | 176.1° |
| H42 | C20 | N5 | H43 | 97.6° | 64.0° |
| H43 | N5 | CA | HA | 117.7° | 89.0° |
| HA | CA | C27 | H46 | 69.8° | 175.0° |
| HA | CA | C27 | H47 | 48.7° | 64.9° |
| H46 | C27 | C28 | H48 | 160.6° | 180.0° |
| H46 | C27 | C28 | H49 | 41.7° | 60.0° |
| H47 | C27 | C28 | H48 | 80.8° | 60.0° |
| H47 | C27 | C28 | H49 | 160.2° | 180.0° |
| H48 | C28 | C29 | H50 | 59.4° | 180.0° |
| H48 | C28 | C29 | H51 | 179.5° | 59.9° |
| H48 | C28 | C29 | H52 | 60.5° | 60.0° |
| H49 | C28 | C29 | H50 | 59.5° | 60.0° |
| H49 | C28 | C29 | H51 | 60.5° | 180.0° |
| H49 | C28 | C29 | H52 | 179.5° | 60.0° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
