LYJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.43Å | 1.40Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CE | CD | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.44Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NZ | HNZ | sing | 1.01Å | 1.00Å | |
| NZ | HNZA | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 110.2° | 109.5° |
| CA | C | H1 | 109.3° | 109.5° |
| CA | C | H3 | 109.3° | 109.5° |
| C | CA | N | 116.3° | 109.5° |
| C | CA | CB | 103.8° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| O | C | H1 | 109.3° | 109.5° |
| O | C | H3 | 109.3° | 109.5° |
| C | O | HO | 109.5° | 114.0° |
| H1 | C | H3 | 109.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 110.2° | 109.4° |
| N | CA | HA | 109.1° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 108.4° | 109.5° |
| CA | CB | CG | 109.0° | 109.5° |
| CA | CB | HB | 109.6° | 109.5° |
| CA | CB | HBA | 109.6° | 109.4° |
| CG | CB | HB | 109.6° | 109.5° |
| CG | CB | HBA | 109.6° | 109.5° |
| CB | CG | CD | 110.8° | 109.4° |
| CB | CG | HG | 109.1° | 109.5° |
| CB | CG | HGA | 109.1° | 109.5° |
| HB | CB | HBA | 109.5° | 109.4° |
| CE | CD | CG | 109.7° | 109.5° |
| CE | CD | HD | 109.4° | 109.4° |
| CE | CD | HDA | 109.4° | 109.5° |
| CD | CE | NZ | 112.6° | 109.5° |
| CD | CE | HE | 108.7° | 109.5° |
| CD | CE | HEA | 108.7° | 109.4° |
| CG | CD | HD | 109.4° | 109.5° |
| CG | CD | HDA | 109.4° | 109.5° |
| CD | CG | HG | 109.1° | 109.5° |
| CD | CG | HGA | 109.1° | 109.5° |
| HD | CD | HDA | 109.4° | 109.5° |
| NZ | CE | HE | 108.7° | 109.5° |
| NZ | CE | HEA | 108.7° | 109.5° |
| CE | NZ | HNZ | 109.5° | 111.0° |
| CE | NZ | HNZA | 109.4° | 111.0° |
| HE | CE | HEA | 109.4° | 109.5° |
| HG | CG | HGA | 109.4° | 109.5° |
| HNZ | NZ | HNZA | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | H1 | 120.1° | 120.0° |
| CA | C | O | H3 | 120.1° | 120.0° |
| CA | C | H1 | H3 | 119.7° | 119.9° |
| C | CA | N | CB | 117.7° | 120.0° |
| C | CA | N | HA | 123.3° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | O | HO | 180.0° | 180.0° |
| C | CA | CB | HA | 115.4° | 120.0° |
| C | CA | CB | CG | 172.7° | 175.0° |
| C | CA | CB | HB | 67.4° | 64.9° |
| C | CA | CB | HBA | 52.8° | 55.0° |
| O | C | H1 | H3 | 119.7° | 120.0° |
| O | C | CA | N | 174.3° | 65.0° |
| O | C | CA | CB | 64.5° | 175.0° |
| O | C | CA | HA | 50.7° | 55.0° |
| H1 | C | CA | N | 65.6° | 55.1° |
| H1 | C | O | HO | 59.9° | 60.0° |
| H1 | C | CA | CB | 55.6° | 64.9° |
| H1 | C | CA | HA | 170.8° | 175.0° |
| H3 | C | CA | N | 54.2° | 175.0° |
| H3 | C | O | HO | 59.9° | 60.0° |
| H3 | C | CA | CB | 175.4° | 55.0° |
| H3 | C | CA | HA | 69.4° | 65.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HA | 119.4° | 119.9° |
| N | CA | CB | CG | 62.0° | 65.0° |
| N | CA | CB | HB | 57.9° | 55.1° |
| N | CA | CB | HBA | 178.0° | 175.0° |
| H | N | CA | CB | 62.3° | 60.0° |
| H | N | CA | HA | 56.7° | 180.0° |
| H2 | N | CA | CB | 177.7° | 63.9° |
| H2 | N | CA | HA | 63.3° | 56.0° |
| CA | CB | CG | HB | 119.9° | 120.1° |
| CA | CB | CG | HBA | 119.9° | 120.0° |
| CA | CB | HB | HBA | 120.3° | 120.0° |
| CA | CB | CG | CD | 174.4° | 180.0° |
| CA | CB | CG | HG | 54.2° | 60.0° |
| CA | CB | CG | HGA | 65.4° | 60.0° |
| HA | CA | CB | CG | 57.3° | 54.9° |
| HA | CA | CB | HB | 177.2° | 175.0° |
| HA | CA | CB | HBA | 62.6° | 65.0° |
| CG | CB | HB | HBA | 120.2° | 120.0° |
| CB | CG | CD | CE | 168.5° | 180.0° |
| CB | CG | CD | HG | 120.2° | 120.0° |
| CB | CG | CD | HGA | 120.2° | 120.0° |
| CB | CG | CD | HD | 71.4° | 60.0° |
| CB | CG | CD | HDA | 48.5° | 60.0° |
| CB | CG | HG | HGA | 119.4° | 120.0° |
| HB | CB | CG | CD | 65.7° | 60.0° |
| HB | CB | CG | HG | 174.1° | 180.0° |
| HB | CB | CG | HGA | 54.6° | 60.0° |
| HBA | CB | CG | CD | 54.5° | 60.0° |
| HBA | CB | CG | HG | 65.7° | 60.0° |
| HBA | CB | CG | HGA | 174.7° | 180.0° |
| CE | CD | CG | HD | 120.1° | 120.0° |
| CE | CD | CG | HDA | 120.0° | 120.0° |
| CE | CD | HD | HDA | 119.9° | 120.0° |
| CD | CE | NZ | HE | 120.5° | 120.0° |
| CD | CE | NZ | HEA | 120.5° | 120.0° |
| CD | CE | HE | HEA | 118.6° | 120.0° |
| CE | CD | CG | HG | 71.3° | 60.0° |
| CE | CD | CG | HGA | 48.3° | 60.0° |
| CD | CE | NZ | HNZ | 180.0° | 180.0° |
| CD | CE | NZ | HNZA | 60.0° | 56.1° |
| CG | CD | HD | HDA | 119.9° | 120.0° |
| CG | CD | CE | NZ | 161.5° | 180.0° |
| CG | CD | CE | HE | 41.0° | 60.0° |
| CG | CD | CE | HEA | 78.0° | 60.0° |
| CD | CG | HG | HGA | 119.4° | 120.0° |
| HD | CD | CE | NZ | 41.4° | 60.0° |
| HD | CD | CE | HE | 79.1° | 60.0° |
| HD | CD | CE | HEA | 161.9° | 180.0° |
| HD | CD | CG | HG | 48.8° | 60.0° |
| HD | CD | CG | HGA | 168.3° | 180.0° |
| HDA | CD | CE | NZ | 78.5° | 60.0° |
| HDA | CD | CE | HE | 161.0° | 180.0° |
| HDA | CD | CE | HEA | 42.0° | 60.0° |
| HDA | CD | CG | HG | 168.7° | 180.0° |
| HDA | CD | CG | HGA | 71.8° | 60.0° |
| NZ | CE | HE | HEA | 118.5° | 120.0° |
| CE | NZ | HNZ | HNZA | 120.0° | 123.9° |
| HE | CE | NZ | HNZ | 59.5° | 60.0° |
| HE | CE | NZ | HNZA | 179.5° | 176.1° |
| HEA | CE | NZ | HNZ | 59.5° | 60.0° |
| HEA | CE | NZ | HNZA | 60.5° | 63.9° |
