A1LUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE | SD | sing | 1.81Å | 1.79Å | |
| SD | C2 | sing | 1.81Å | 1.79Å | |
| SD | CG | sing | 1.81Å | 1.80Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | 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 | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE | SD | C2 | 100.7° | 103.0° |
| CE | SD | CG | 101.6° | 103.0° |
| SD | CE | HE1 | 109.5° | 109.4° |
| SD | CE | HE2 | 109.4° | 109.5° |
| SD | CE | HE3 | 109.5° | 109.5° |
| C2 | SD | CG | 101.6° | 103.0° |
| SD | C2 | H4 | 109.5° | 109.4° |
| SD | C2 | H5 | 109.5° | 109.5° |
| SD | C2 | H6 | 109.4° | 109.4° |
| SD | CG | CB | 113.1° | 109.5° |
| SD | CG | HG2 | 108.5° | 109.5° |
| SD | CG | HG3 | 108.6° | 109.5° |
| CG | CB | CA | 114.3° | 109.5° |
| CB | CG | HG2 | 108.5° | 109.4° |
| CB | CG | HG3 | 108.5° | 109.5° |
| CG | CB | HB2 | 108.3° | 109.4° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CA | N | 112.1° | 109.4° |
| CB | CA | C | 110.5° | 109.5° |
| CA | CB | HB2 | 108.2° | 109.4° |
| CA | CB | HB3 | 108.3° | 109.5° |
| CB | CA | HA | 107.3° | 109.4° |
| N | CA | C | 111.1° | 109.5° |
| N | CA | HA | 108.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | OXT | 112.5° | 120.0° |
| CA | C | O | 123.2° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| OXT | C | O | 124.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HE1 | CE | HE2 | 109.5° | 109.5° |
| HE1 | CE | HE3 | 109.5° | 109.4° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE | SD | C2 | CG | 104.4° | 106.9° |
| CE | SD | CG | CB | 176.9° | 73.2° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 120.0° |
| SD | CE | HE2 | HE3 | 120.0° | 120.1° |
| CE | SD | C2 | H4 | 180.0° | 46.8° |
| CE | SD | C2 | H5 | 60.0° | 166.8° |
| CE | SD | C2 | H6 | 60.0° | 73.1° |
| CE | SD | CG | HG2 | 56.4° | 166.9° |
| CE | SD | CG | HG3 | 62.6° | 46.9° |
| C2 | SD | CG | CB | 73.2° | 179.9° |
| C2 | SD | CE | HE1 | 180.0° | 60.0° |
| C2 | SD | CE | HE2 | 60.0° | 180.0° |
| C2 | SD | CE | HE3 | 60.0° | 60.0° |
| SD | C2 | H4 | H5 | 120.0° | 120.0° |
| SD | C2 | H4 | H6 | 120.0° | 120.0° |
| SD | C2 | H5 | H6 | 120.0° | 120.0° |
| C2 | SD | CG | HG2 | 47.3° | 60.0° |
| C2 | SD | CG | HG3 | 166.3° | 60.0° |
| SD | CG | CB | HG2 | 120.5° | 119.9° |
| SD | CG | CB | HG3 | 120.5° | 120.0° |
| SD | CG | CB | CA | 162.0° | 180.0° |
| CG | SD | CE | HE1 | 75.6° | 166.8° |
| CG | SD | CE | HE2 | 44.4° | 73.2° |
| CG | SD | CE | HE3 | 164.4° | 46.9° |
| CG | SD | C2 | H4 | 75.7° | 60.0° |
| CG | SD | C2 | H5 | 164.3° | 60.0° |
| CG | SD | C2 | H6 | 44.4° | 180.0° |
| SD | CG | HG2 | HG3 | 118.4° | 120.0° |
| SD | CG | CB | HB2 | 41.3° | 60.1° |
| SD | CG | CB | HB3 | 77.2° | 60.0° |
| CG | CB | CA | HB2 | 120.7° | 119.9° |
| CG | CB | CA | HB3 | 120.7° | 120.0° |
| CG | CB | CA | N | 64.4° | 65.1° |
| CG | CB | CA | C | 171.1° | 175.0° |
| CB | CG | HG2 | HG3 | 118.3° | 120.0° |
| CG | CB | HB2 | HB3 | 117.8° | 120.0° |
| CG | CB | CA | HA | 54.2° | 54.9° |
| CB | CA | N | C | 124.2° | 120.0° |
| CB | CA | N | HA | 118.1° | 120.0° |
| CB | CA | C | HA | 116.8° | 120.0° |
| CB | CA | C | OXT | 66.4° | 80.0° |
| CB | CA | C | O | 113.6° | 100.0° |
| CA | CB | CG | HG2 | 77.4° | 60.1° |
| CA | CB | CG | HG3 | 41.5° | 60.0° |
| CA | CB | HB2 | HB3 | 117.8° | 120.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| N | CA | C | HA | 118.1° | 120.0° |
| N | CA | C | OXT | 58.6° | 160.0° |
| N | CA | C | O | 121.4° | 20.0° |
| N | CA | CB | HB2 | 174.9° | 175.0° |
| N | CA | CB | HB3 | 56.3° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | OXT | O | 180.0° | 180.0° |
| C | CA | CB | HB2 | 50.4° | 55.0° |
| C | CA | CB | HB3 | 68.2° | 65.0° |
| C | CA | N | H | 55.8° | 64.0° |
| C | CA | N | H2 | 64.2° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CA | HA | 176.8° | 40.0° |
| O | C | CA | HA | 3.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 119.9° |
| H4 | C2 | H5 | H6 | 120.0° | 120.0° |
| HG2 | CG | CB | HB2 | 161.9° | 180.0° |
| HG2 | CG | CB | HB3 | 43.3° | 60.0° |
| HG3 | CG | CB | HB2 | 79.2° | 60.0° |
| HG3 | CG | CB | HB3 | 162.2° | 180.0° |
| HB2 | CB | CA | HA | 66.5° | 65.0° |
| HB3 | CB | CA | HA | 174.9° | 175.0° |
| HA | CA | N | H | 61.9° | 56.1° |
| HA | CA | N | H2 | 178.1° | 180.0° |
