JGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH2 | CZ | doub | 1.21Å | 1.18Å | |
| CZ | CE | sing | 1.51Å | 1.53Å | |
| CZ | NH1 | sing | 1.35Å | 1.45Å | |
| CE | NZ | sing | 1.47Å | 1.44Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å | |
| NH1 | HH1 | sing | 0.97Å | 1.00Å | |
| NH1 | HN1 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.47Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH2 | CZ | CE | 119.9° | 120.0° |
| OH2 | CZ | NH1 | 120.4° | 120.0° |
| CE | CZ | NH1 | 119.7° | 120.0° |
| CZ | CE | NZ | 110.8° | 109.4° |
| CZ | CE | CD | 107.3° | 109.5° |
| CZ | CE | HE2 | 109.4° | 109.4° |
| CZ | NH1 | HH1 | 120.0° | 120.0° |
| CZ | NH1 | HN1 | 120.0° | 120.0° |
| NZ | CE | CD | 109.5° | 109.5° |
| NZ | CE | HE2 | 110.5° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 111.0° |
| CE | NZ | HZ2 | 109.4° | 110.9° |
| CE | CD | CG | 111.6° | 109.5° |
| CE | CD | HD2 | 108.9° | 109.5° |
| CE | CD | HD3 | 109.0° | 109.4° |
| CD | CE | HE2 | 109.3° | 109.5° |
| CD | CG | CB | 111.9° | 109.5° |
| CD | CG | HG2 | 108.9° | 109.4° |
| CD | CG | HG3 | 108.9° | 109.5° |
| CG | CD | HD2 | 108.9° | 109.5° |
| CG | CD | HD3 | 108.9° | 109.5° |
| CG | CB | CA | 111.2° | 109.5° |
| CG | CB | HB2 | 109.0° | 109.5° |
| CG | CB | HB3 | 109.0° | 109.5° |
| CB | CG | HG2 | 108.9° | 109.5° |
| CB | CG | HG3 | 108.9° | 109.5° |
| C | CA | CB | 109.1° | 109.5° |
| C | CA | N | 109.7° | 109.5° |
| CA | C | O | 120.4° | 120.0° |
| C | CA | HA | 109.0° | 109.5° |
| CA | C | OXT | 118.6° | 120.0° |
| CB | CA | N | 110.5° | 109.5° |
| CB | CA | HA | 108.8° | 109.4° |
| CA | CB | HB2 | 109.0° | 109.4° |
| CA | CB | HB3 | 109.0° | 109.5° |
| N | CA | HA | 109.7° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 120.9° | 120.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| HZ1 | NZ | HZ2 | 109.5° | 111.0° |
| HH1 | NH1 | HN1 | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH2 | CZ | CE | NH1 | 179.5° | 179.9° |
| OH2 | CZ | CE | NZ | 160.6° | 20.1° |
| OH2 | CZ | CE | CD | 80.0° | 99.9° |
| OH2 | CZ | CE | HE2 | 38.5° | 140.0° |
| OH2 | CZ | NH1 | HH1 | 0.0° | 180.0° |
| OH2 | CZ | NH1 | HN1 | 180.0° | 0.1° |
| CZ | CE | NZ | CD | 118.1° | 120.0° |
| CZ | CE | NZ | HE2 | 121.4° | 119.9° |
| CZ | CE | CD | HE2 | 118.5° | 120.0° |
| CZ | CE | CD | CG | 146.6° | 175.0° |
| CZ | CE | CD | HD2 | 26.3° | 65.0° |
| CZ | CE | CD | HD3 | 93.1° | 55.0° |
| CZ | CE | NZ | HZ1 | 180.0° | 176.1° |
| CZ | CE | NZ | HZ2 | 60.0° | 60.1° |
| CE | CZ | NH1 | HH1 | 179.5° | 0.1° |
| CE | CZ | NH1 | HN1 | 0.5° | 180.0° |
| NH1 | CZ | CE | NZ | 19.9° | 160.0° |
| NH1 | CZ | CE | CD | 99.6° | 80.0° |
| NH1 | CZ | CE | HE2 | 142.0° | 40.1° |
| CZ | NH1 | HH1 | HN1 | 180.0° | 179.9° |
| NZ | CE | CD | HE2 | 121.2° | 120.0° |
| NZ | CE | CD | CG | 93.1° | 65.0° |
| NZ | CE | CD | HD2 | 146.6° | 55.0° |
| NZ | CE | CD | HD3 | 27.2° | 175.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 123.8° |
| CE | CD | CG | HD2 | 120.3° | 120.0° |
| CE | CD | CG | HD3 | 120.3° | 120.0° |
| CE | CD | CG | CB | 114.8° | 180.0° |
| CE | CD | CG | HG2 | 5.5° | 60.0° |
| CE | CD | CG | HG3 | 124.8° | 60.0° |
| CE | CD | HD2 | HD3 | 119.1° | 120.0° |
| CD | CE | NZ | HZ1 | 61.9° | 63.9° |
| CD | CE | NZ | HZ2 | 58.2° | 60.0° |
| CD | CG | CB | HG2 | 120.4° | 119.9° |
| CD | CG | CB | HG3 | 120.3° | 120.0° |
| CD | CG | CB | CA | 159.6° | 180.0° |
| CD | CG | CB | HB2 | 80.1° | 60.0° |
| CD | CG | CB | HB3 | 39.3° | 60.0° |
| CD | CG | HG2 | HG3 | 118.9° | 120.0° |
| CG | CD | HD2 | HD3 | 119.0° | 120.0° |
| CG | CD | CE | HE2 | 28.1° | 55.0° |
| CG | CB | CA | C | 91.0° | 175.0° |
| CG | CB | CA | HB2 | 120.3° | 120.0° |
| CG | CB | CA | HB3 | 120.3° | 120.0° |
| CG | CB | CA | N | 148.3° | 64.9° |
| CG | CB | CA | HA | 27.7° | 55.0° |
| CG | CB | HB2 | HB3 | 119.2° | 120.0° |
| CB | CG | HG2 | HG3 | 118.9° | 120.0° |
| CB | CG | CD | HD2 | 124.9° | 60.0° |
| CB | CG | CD | HD3 | 5.5° | 60.0° |
| C | CA | CB | N | 120.7° | 120.0° |
| C | CA | CB | HA | 118.8° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| CA | C | O | OXT | 179.9° | 179.7° |
| C | CA | CB | HB2 | 29.2° | 65.0° |
| C | CA | CB | HB3 | 148.7° | 55.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| CB | CA | N | HA | 120.0° | 119.9° |
| CB | CA | C | O | 89.3° | 100.0° |
| CA | CB | HB2 | HB3 | 119.2° | 120.0° |
| CA | CB | CG | HG2 | 39.2° | 60.1° |
| CA | CB | CG | HG3 | 80.1° | 60.0° |
| CB | CA | N | H | 59.7° | 60.0° |
| CB | CA | N | H2 | 179.7° | 63.9° |
| CB | CA | C | OXT | 90.8° | 80.3° |
| N | CA | C | O | 31.9° | 20.0° |
| N | CA | CB | HB2 | 91.4° | 55.1° |
| N | CA | CB | HB3 | 28.0° | 175.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 148.0° | 159.7° |
| O | C | CA | HA | 152.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HA | CA | CB | HB2 | 148.0° | 175.0° |
| HA | CA | CB | HB3 | 92.5° | 65.0° |
| HA | CA | N | H | 60.3° | 180.0° |
| HA | CA | N | H2 | 59.6° | 56.0° |
| HA | CA | C | OXT | 27.9° | 39.7° |
| HB2 | CB | CG | HG2 | 159.5° | 180.0° |
| HB2 | CB | CG | HG3 | 40.2° | 60.0° |
| HB3 | CB | CG | HG2 | 81.0° | 59.9° |
| HB3 | CB | CG | HG3 | 159.7° | 180.0° |
| HG2 | CG | CD | HD2 | 114.8° | 180.0° |
| HG2 | CG | CD | HD3 | 125.8° | 59.9° |
| HG3 | CG | CD | HD2 | 4.5° | 60.0° |
| HG3 | CG | CD | HD3 | 114.9° | 180.0° |
| HD2 | CD | CE | HE2 | 92.2° | 175.1° |
| HD3 | CD | CE | HE2 | 148.4° | 65.0° |
| HE2 | CE | NZ | HZ1 | 58.6° | 56.2° |
| HE2 | CE | NZ | HZ2 | 178.6° | 180.0° |
