LEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | C9 | sing | 1.53Å | 1.52Å | |
| CB | C8 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| SG | CB | sing | 1.81Å | 1.79Å | |
| SG | HSG | sing | 1.35Å | 1.30Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.1° |
| H2 | N | CA | 109.5° | 111.0° |
| N | CA | CB | 114.4° | 109.5° |
| N | CA | HA | 108.8° | 109.5° |
| N | CA | C | 111.4° | 109.5° |
| CB | CA | HA | 98.5° | 109.4° |
| CA | CB | C9 | 111.8° | 109.4° |
| CA | CB | C8 | 110.9° | 109.5° |
| CA | CB | SG | 108.6° | 109.4° |
| CB | CA | C | 119.0° | 109.5° |
| HA | CA | C | 102.7° | 109.4° |
| C9 | CB | C8 | 109.1° | 109.5° |
| CB | C9 | H9 | 109.5° | 109.5° |
| CB | C9 | H9A | 109.4° | 109.4° |
| CB | C9 | H9B | 109.5° | 109.5° |
| C9 | CB | SG | 109.0° | 109.5° |
| CB | C8 | H8 | 109.5° | 109.5° |
| CB | C8 | H8A | 109.5° | 109.5° |
| CB | C8 | H8B | 109.5° | 109.5° |
| C8 | CB | SG | 107.3° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| CB | SG | HSG | 109.5° | 103.0° |
| CA | C | OXT | 118.5° | 120.1° |
| CA | C | O | 122.9° | 120.0° |
| OXT | C | O | 118.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | H2 | CA | 120.1° | 124.0° |
| H | N | CA | CB | 21.5° | 64.0° |
| H | N | CA | HA | 87.6° | 56.0° |
| H | N | CA | C | 160.0° | 176.0° |
| H2 | N | CA | CB | 98.5° | 60.0° |
| H2 | N | CA | HA | 152.4° | 180.0° |
| H2 | N | CA | C | 40.0° | 60.0° |
| N | CA | CB | HA | 115.2° | 120.0° |
| N | CA | CB | C | 135.1° | 120.1° |
| N | CA | HA | C | 118.1° | 120.0° |
| N | CA | CB | C9 | 73.0° | 55.0° |
| N | CA | CB | C8 | 49.0° | 175.0° |
| N | CA | CB | SG | 166.7° | 65.0° |
| N | CA | C | OXT | 58.7° | 160.0° |
| N | CA | C | O | 121.3° | 20.1° |
| CB | CA | HA | C | 122.4° | 120.0° |
| CA | CB | C9 | C8 | 123.0° | 120.0° |
| CA | CB | C9 | SG | 120.1° | 120.0° |
| CA | CB | C8 | SG | 118.5° | 120.0° |
| CA | CB | C8 | H8 | 131.5° | 60.0° |
| CA | CB | C8 | H8A | 11.5° | 180.0° |
| CA | CB | C8 | H8B | 108.5° | 60.0° |
| CA | CB | C9 | H9 | 52.5° | 60.0° |
| CA | CB | C9 | H9A | 67.5° | 180.0° |
| CA | CB | C9 | H9B | 172.5° | 60.1° |
| CA | CB | SG | HSG | 26.4° | 180.0° |
| CB | CA | C | OXT | 164.9° | 79.9° |
| CB | CA | C | O | 15.1° | 100.0° |
| HA | CA | CB | C9 | 171.8° | 175.0° |
| HA | CA | CB | C8 | 66.2° | 65.0° |
| HA | CA | CB | SG | 51.4° | 55.0° |
| HA | CA | C | OXT | 57.5° | 40.0° |
| HA | CA | C | O | 122.5° | 140.1° |
| C9 | CB | C8 | SG | 118.0° | 120.1° |
| C9 | CB | C8 | H8 | 8.0° | 60.0° |
| C9 | CB | C8 | H8A | 112.0° | 60.0° |
| C9 | CB | C8 | H8B | 128.0° | 180.0° |
| CB | C9 | H9 | H9A | 120.0° | 119.9° |
| CB | C9 | H9 | H9B | 120.0° | 120.0° |
| CB | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | CB | SG | HSG | 95.7° | 60.0° |
| C9 | CB | CA | C | 62.2° | 65.0° |
| CB | C8 | H8 | H8A | 120.0° | 120.0° |
| CB | C8 | H8 | H8B | 120.0° | 120.0° |
| CB | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | CB | C9 | H9 | 175.4° | 180.0° |
| C8 | CB | C9 | H9A | 55.4° | 60.0° |
| C8 | CB | C9 | H9B | 64.6° | 60.0° |
| C8 | CB | SG | HSG | 146.3° | 60.0° |
| C8 | CB | CA | C | 175.9° | 55.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | CB | SG | 110.0° | 180.0° |
| H8A | C8 | CB | SG | 130.0° | 60.0° |
| H8B | C8 | CB | SG | 10.0° | 60.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H9 | C9 | CB | SG | 67.7° | 60.0° |
| H9A | C9 | CB | SG | 172.3° | 60.0° |
| H9B | C9 | CB | SG | 52.3° | 180.0° |
| SG | CB | CA | C | 58.2° | 175.0° |
| CA | C | OXT | O | 180.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
