LE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | C9 | sing | 1.53Å | 1.51Å | |
| CB | C8 | sing | 1.53Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| SG | CB | sing | 1.81Å | 1.78Å | |
| SG | HSG | sing | 1.35Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.3° | 120.0° |
| O | C | CA | 119.4° | 120.1° |
| OXT | C | CA | 120.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | HA | 107.8° | 109.5° |
| C | CA | N | 111.8° | 109.4° |
| CB | CA | HA | 107.2° | 109.5° |
| CB | CA | N | 112.3° | 109.5° |
| CA | CB | C9 | 109.6° | 109.5° |
| CA | CB | C8 | 111.5° | 109.5° |
| CA | CB | SG | 108.6° | 109.5° |
| HA | CA | N | 106.4° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C9 | CB | C8 | 110.3° | 109.5° |
| CB | C9 | H9 | 109.5° | 109.5° |
| CB | C9 | H9A | 109.5° | 109.5° |
| CB | C9 | H9B | 109.5° | 109.5° |
| C9 | CB | SG | 108.8° | 109.4° |
| CB | C8 | H8 | 109.5° | 109.4° |
| CB | C8 | H8A | 109.5° | 109.5° |
| CB | C8 | H8B | 109.5° | 109.4° |
| C8 | CB | SG | 108.0° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.4° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| CB | SG | HSG | 109.5° | 103.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 179.7° |
| O | C | CA | CB | 88.0° | 100.0° |
| O | C | CA | HA | 29.2° | 140.0° |
| O | C | CA | N | 145.7° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | CB | 92.0° | 79.8° |
| OXT | C | CA | HA | 150.9° | 40.3° |
| OXT | C | CA | N | 34.3° | 160.3° |
| C | CA | CB | HA | 117.5° | 120.1° |
| C | CA | CB | N | 126.0° | 120.0° |
| C | CA | HA | N | 120.0° | 120.0° |
| C | CA | N | H | 97.6° | 63.9° |
| C | CA | N | H2 | 142.4° | 60.0° |
| C | CA | CB | C9 | 64.3° | 60.0° |
| C | CA | CB | C8 | 58.1° | 60.0° |
| C | CA | CB | SG | 177.0° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| CB | CA | HA | N | 120.4° | 120.0° |
| CB | CA | N | H | 28.0° | 176.1° |
| CB | CA | N | H2 | 92.0° | 60.0° |
| CA | CB | C9 | C8 | 123.1° | 120.0° |
| CA | CB | C9 | SG | 118.6° | 120.0° |
| CA | CB | C8 | SG | 119.2° | 120.0° |
| CA | CB | C9 | H9 | 26.7° | 60.0° |
| CA | CB | C9 | H9A | 146.6° | 180.0° |
| CA | CB | C9 | H9B | 93.4° | 60.0° |
| CA | CB | C8 | H8 | 1.5° | 60.0° |
| CA | CB | C8 | H8A | 118.5° | 180.0° |
| CA | CB | C8 | H8B | 121.5° | 60.0° |
| CA | CB | SG | HSG | 179.0° | 180.0° |
| HA | CA | N | H | 145.0° | 56.1° |
| HA | CA | N | H2 | 25.0° | 180.0° |
| HA | CA | CB | C9 | 53.2° | 180.0° |
| HA | CA | CB | C8 | 175.6° | 60.0° |
| HA | CA | CB | SG | 65.5° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C9 | 169.7° | 60.0° |
| N | CA | CB | C8 | 67.9° | 180.0° |
| N | CA | CB | SG | 51.0° | 60.0° |
| C9 | CB | C8 | SG | 118.8° | 119.9° |
| CB | C9 | H9 | H9A | 120.0° | 120.0° |
| CB | C9 | H9 | H9B | 120.0° | 120.0° |
| CB | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | CB | C8 | H8 | 123.6° | 180.0° |
| C9 | CB | C8 | H8A | 3.6° | 60.0° |
| C9 | CB | C8 | H8B | 116.4° | 60.0° |
| C9 | CB | SG | HSG | 61.8° | 60.0° |
| C8 | CB | C9 | H9 | 149.8° | 60.0° |
| C8 | CB | C9 | H9A | 90.2° | 60.0° |
| C8 | CB | C9 | H9B | 29.8° | 180.0° |
| CB | C8 | H8 | H8A | 120.0° | 120.0° |
| CB | C8 | H8 | H8B | 120.0° | 119.9° |
| CB | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | CB | SG | HSG | 58.0° | 60.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H9 | C9 | CB | SG | 91.9° | 180.0° |
| H9A | C9 | CB | SG | 28.1° | 60.0° |
| H9B | C9 | CB | SG | 148.1° | 60.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | CB | SG | 117.6° | 60.1° |
| H8A | C8 | CB | SG | 122.4° | 60.0° |
| H8B | C8 | CB | SG | 2.4° | 180.0° |
