TYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.39Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | OZ | sing | 1.36Å | 1.37Å | |
| CD2 | CE2 | doub | 1.39Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.37Å | Aromatic |
| CE2 | N5 | sing | 1.40Å | 1.46Å | |
| CZ | OH | sing | 1.36Å | 1.37Å | |
| OZ | HZ | sing | 0.97Å | 0.95Å | |
| N5 | HN51 | sing | 0.97Å | 1.02Å | |
| N5 | HN52 | sing | 0.97Å | 1.02Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.7° | 106.7° |
| CA | N | H2 | 111.0° | 106.7° |
| N | CA | C | 112.7° | 109.5° |
| N | CA | CB | 111.8° | 109.5° |
| N | CA | HA | 104.4° | 109.4° |
| H | N | H2 | 111.1° | 106.7° |
| C | CA | CB | 105.2° | 109.5° |
| C | CA | HA | 111.1° | 109.4° |
| CA | C | O | 121.0° | 120.0° |
| CA | C | OXT | 115.4° | 120.1° |
| CB | CA | HA | 112.0° | 109.5° |
| CA | CB | CG | 116.5° | 109.5° |
| CA | CB | HB2 | 109.7° | 109.4° |
| CA | CB | HB3 | 109.7° | 109.5° |
| O | C | OXT | 123.6° | 119.9° |
| C | OXT | HXT | 115.4° | 120.1° |
| CG | CB | HB2 | 109.7° | 109.5° |
| CG | CB | HB3 | 109.6° | 109.5° |
| CB | CG | CD1 | 121.6° | 119.9° |
| CB | CG | CD2 | 119.5° | 120.0° |
| HB2 | CB | HB3 | 100.5° | 109.5° |
| CD1 | CG | CD2 | 118.9° | 120.1° |
| CG | CD1 | CE1 | 120.0° | 120.1° |
| CG | CD1 | OZ | 119.7° | 120.0° |
| CG | CD2 | CE2 | 120.8° | 120.1° |
| CG | CD2 | HD2 | 120.3° | 120.0° |
| CE1 | CD1 | OZ | 120.3° | 120.0° |
| CD1 | CE1 | CZ | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 120.4° | 120.0° |
| CD1 | OZ | HZ | 119.8° | 106.8° |
| CE2 | CD2 | HD2 | 118.9° | 120.0° |
| CD2 | CE2 | CZ | 120.4° | 119.9° |
| CD2 | CE2 | N5 | 119.3° | 120.0° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CE1 | CZ | CE2 | 120.4° | 119.9° |
| CE1 | CZ | OH | 121.1° | 120.0° |
| CZ | CE2 | N5 | 120.3° | 120.0° |
| CE2 | CZ | OH | 118.5° | 120.1° |
| CE2 | N5 | HN51 | 119.2° | 120.0° |
| CE2 | N5 | HN52 | 108.7° | 120.1° |
| CZ | OH | HH | 121.1° | 106.8° |
| HN51 | N5 | HN52 | 108.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | C | CB | 122.0° | 120.1° |
| N | CA | C | HA | 116.7° | 119.9° |
| N | CA | CB | HA | 116.7° | 120.0° |
| N | CA | C | O | 36.2° | 30.0° |
| N | CA | C | OXT | 145.8° | 150.0° |
| N | CA | CB | CG | 43.3° | 59.9° |
| N | CA | CB | HB2 | 82.0° | 60.0° |
| N | CA | CB | HB3 | 168.6° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 61.8° | 53.7° |
| H | N | CA | HA | 59.4° | 66.3° |
| H2 | N | CA | C | 54.7° | 60.1° |
| H2 | N | CA | CB | 63.5° | 60.0° |
| H2 | N | CA | HA | 175.3° | 180.0° |
| C | CA | CB | HA | 120.7° | 120.0° |
| CA | C | O | OXT | 177.9° | 180.0° |
| C | CA | CB | CG | 165.9° | 180.0° |
| C | CA | CB | HB2 | 40.6° | 60.0° |
| C | CA | CB | HB3 | 68.9° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 85.8° | 90.0° |
| CB | CA | C | OXT | 92.2° | 89.9° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.4° | 120.0° |
| CA | CB | CG | CD1 | 80.2° | 90.3° |
| CA | CB | CG | CD2 | 98.6° | 90.0° |
| HA | CA | C | O | 152.9° | 149.9° |
| HA | CA | C | OXT | 29.1° | 30.1° |
| HA | CA | CB | CG | 73.4° | 60.0° |
| HA | CA | CB | HB2 | 161.3° | 180.0° |
| HA | CA | CB | HB3 | 51.9° | 60.0° |
| O | C | OXT | HXT | 2.0° | 0.1° |
| CG | CB | HB2 | HB3 | 115.4° | 120.0° |
| CB | CG | CD1 | CD2 | 178.8° | 179.7° |
| CB | CG | CD1 | CE1 | 178.7° | 179.8° |
| CB | CG | CD1 | OZ | 1.7° | 0.2° |
| CB | CG | CD2 | CE2 | 178.6° | 180.0° |
| CB | CG | CD2 | HD2 | 1.4° | 0.1° |
| HB2 | CB | CG | CD1 | 154.5° | 149.8° |
| HB2 | CB | CG | CD2 | 26.7° | 29.9° |
| HB3 | CB | CG | CD1 | 45.0° | 29.7° |
| HB3 | CB | CG | CD2 | 136.2° | 150.0° |
| CG | CD1 | CE1 | OZ | 179.6° | 179.6° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.5° |
| CG | CD1 | CE1 | HE1 | 179.8° | 179.8° |
| CG | CD1 | OZ | HZ | 180.0° | 90.5° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.5° |
| CD2 | CG | CD1 | OZ | 179.5° | 179.9° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.1° |
| CG | CD2 | CE2 | N5 | 178.4° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
| CD1 | CE1 | CZ | OH | 178.7° | 179.8° |
| CE1 | CD1 | OZ | HZ | 0.4° | 90.0° |
| OZ | CD1 | CE1 | CZ | 179.7° | 179.9° |
| OZ | CD1 | CE1 | HE1 | 0.3° | 0.2° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.1° |
| CD2 | CE2 | CZ | N5 | 178.6° | 180.0° |
| CD2 | CE2 | CZ | OH | 178.9° | 180.0° |
| CD2 | CE2 | N5 | HN51 | 180.0° | 180.0° |
| CD2 | CE2 | N5 | HN52 | 54.8° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | N5 | 1.6° | 0.1° |
| CE1 | CZ | CE2 | OH | 178.9° | 179.9° |
| CE1 | CZ | CE2 | N5 | 178.7° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | OH | 1.3° | 0.1° |
| CZ | CE2 | N5 | HN51 | 1.4° | 0.0° |
| CZ | CE2 | N5 | HN52 | 126.6° | 179.9° |
| CE2 | CZ | OH | HH | 1.1° | 90.0° |
| N5 | CE2 | CZ | OH | 0.3° | 0.0° |
| CE2 | N5 | HN51 | HN52 | 125.2° | 180.0° |
