HJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CN | N | sing | 1.47Å | 1.47Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| I | CZ | sing | 2.09Å | 2.10Å | |
| CZ | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CN | HN12 | sing | 1.09Å | 1.10Å | |
| CN | HN13 | sing | 1.09Å | 1.10Å | |
| CN | HN11 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.0° | 120.0° |
| O | C | OXT | 119.5° | 120.0° |
| C | CA | N | 113.5° | 109.5° |
| C | CA | CB | 108.7° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| CA | C | OXT | 119.6° | 120.0° |
| CN | N | CA | 113.7° | 111.0° |
| N | CN | HN12 | 109.5° | 109.4° |
| N | CN | HN13 | 109.5° | 109.5° |
| N | CN | HN11 | 109.4° | 109.5° |
| CN | N | H | 108.4° | 111.0° |
| N | CA | CB | 110.5° | 109.5° |
| CA | N | H | 108.4° | 111.0° |
| N | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 111.8° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | HB1 | 108.9° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CD2 | CE2 | CZ | 119.4° | 120.0° |
| CE2 | CD2 | CG | 121.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CD2 | HD2 | 119.5° | 120.0° |
| CE2 | CZ | I | 120.3° | 120.0° |
| CE2 | CZ | CE1 | 120.5° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CD2 | CG | CB | 121.3° | 120.0° |
| CD2 | CG | CD1 | 118.4° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| I | CZ | CE1 | 119.3° | 120.1° |
| CZ | CE1 | CD1 | 119.4° | 120.0° |
| CZ | CE1 | HE1 | 120.3° | 119.9° |
| CB | CG | CD1 | 120.3° | 120.0° |
| CG | CB | HB1 | 108.9° | 109.4° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CD1 | CE1 | 121.3° | 120.0° |
| CG | CD1 | HD1 | 119.3° | 120.0° |
| CE1 | CD1 | HD1 | 119.3° | 120.0° |
| CD1 | CE1 | HE1 | 120.3° | 120.0° |
| HN12 | CN | HN13 | 109.5° | 109.5° |
| HN12 | CN | HN11 | 109.4° | 109.5° |
| HN13 | CN | HN11 | 109.5° | 109.4° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.9° |
| O | C | CA | N | 56.7° | 26.2° |
| O | C | CA | CB | 66.7° | 93.8° |
| O | C | CA | HA | 176.9° | 146.2° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CN | 68.7° | 84.5° |
| C | CA | N | CB | 122.4° | 120.0° |
| C | CA | N | HA | 119.8° | 120.0° |
| C | CA | CB | HA | 116.4° | 120.0° |
| C | CA | CB | CG | 42.3° | 175.0° |
| C | CA | N | H | 51.9° | 39.5° |
| C | CA | CB | HB1 | 78.0° | 55.0° |
| C | CA | CB | HB2 | 162.6° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CN | N | CA | H | 120.6° | 124.0° |
| CN | N | CA | CB | 168.9° | 155.5° |
| N | CN | HN12 | HN13 | 120.0° | 120.0° |
| N | CN | HN12 | HN11 | 120.0° | 120.0° |
| N | CN | HN13 | HN11 | 120.0° | 120.0° |
| CN | N | CA | HA | 51.0° | 35.5° |
| N | CA | CB | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 167.4° | 65.0° |
| CA | N | CN | HN12 | 180.0° | 61.3° |
| CA | N | CN | HN13 | 60.0° | 58.8° |
| CA | N | CN | HN11 | 60.0° | 178.8° |
| N | CA | CB | HB1 | 47.1° | 175.0° |
| N | CA | CB | HB2 | 72.2° | 55.0° |
| N | CA | C | OXT | 123.4° | 153.7° |
| CA | CB | CG | CD2 | 120.3° | 90.3° |
| CA | CB | CG | HB1 | 120.3° | 120.0° |
| CA | CB | CG | HB2 | 120.4° | 120.0° |
| CA | CB | CG | CD1 | 56.9° | 90.0° |
| CB | CA | N | H | 70.5° | 80.5° |
| CA | CB | HB1 | HB2 | 119.0° | 120.0° |
| CB | CA | C | OXT | 113.3° | 86.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.5° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.4° |
| CD2 | CE2 | CZ | I | 179.7° | 179.7° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
| CE2 | CD2 | CG | CB | 178.2° | 179.7° |
| CE2 | CD2 | CG | CD1 | 1.0° | 0.6° |
| CZ | CE2 | CD2 | CG | 0.6° | 0.5° |
| CE2 | CZ | I | CE1 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.0° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.4° | 180.0° |
| CD2 | CG | CB | CD1 | 177.2° | 179.7° |
| CD2 | CG | CD1 | CE1 | 1.1° | 0.3° |
| CD2 | CG | CB | HB1 | 0.0° | 149.7° |
| CD2 | CG | CB | HB2 | 119.4° | 29.7° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.4° | 180.0° |
| I | CZ | CE1 | CD1 | 179.6° | 180.0° |
| I | CZ | CE1 | HE1 | 0.4° | 0.0° |
| I | CZ | CE2 | HE2 | 0.3° | 0.2° |
| CZ | CE1 | CD1 | CG | 0.8° | 0.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.2° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 179.8° |
| CB | CG | CD1 | CE1 | 178.4° | 180.0° |
| CG | CB | CA | HA | 74.1° | 55.0° |
| CG | CB | HB1 | HB2 | 118.9° | 120.0° |
| CB | CG | CD1 | HD1 | 1.6° | 0.0° |
| CB | CG | CD2 | HD2 | 1.7° | 0.3° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CB | HB1 | 177.2° | 30.0° |
| CD1 | CG | CB | HB2 | 63.5° | 150.0° |
| CG | CD1 | CE1 | HE1 | 179.3° | 180.0° |
| CD1 | CG | CD2 | HD2 | 179.0° | 180.0° |
| HN12 | CN | HN13 | HN11 | 120.0° | 120.0° |
| HN12 | CN | N | H | 59.4° | 62.7° |
| HN13 | CN | N | H | 60.6° | 177.2° |
| HN11 | CN | N | H | 179.3° | 57.3° |
| H | N | CA | HA | 171.7° | 159.5° |
| HA | CA | CB | HB1 | 165.5° | 65.0° |
| HA | CA | CB | HB2 | 46.2° | 175.0° |
| HA | CA | C | OXT | 3.1° | 33.7° |
| HD1 | CD1 | CE1 | HE1 | 0.7° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.6° | 0.5° |
