Q78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CD1 | CG | sing | 1.38Å | 1.65Å | Aromatic |
| CD1 | CE1 | doub | 1.33Å | 1.47Å | Aromatic |
| CG | CD2 | doub | 1.33Å | 1.48Å | Aromatic |
| CE1 | SE2 | sing | 1.76Å | 1.61Å | Aromatic |
| CD2 | SE2 | sing | 1.76Å | 1.61Å | Aromatic |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| 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 | 112.1° | 120.0° |
| C | CA | N | 110.2° | 109.5° |
| C | CA | CB | 109.4° | 109.4° |
| CA | C | OXT | 116.0° | 120.0° |
| C | CA | HA | 108.5° | 109.5° |
| N | CA | CB | 111.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.4° | 109.5° |
| CA | CB | CG | 111.4° | 109.4° |
| CB | CA | HA | 108.4° | 109.5° |
| CA | CB | HB2 | 109.0° | 109.5° |
| CA | CB | HB1 | 109.0° | 109.5° |
| CB | CG | CD1 | 125.9° | 122.5° |
| CB | CG | CD2 | 125.6° | 122.5° |
| CG | CB | HB2 | 109.0° | 109.4° |
| CG | CB | HB1 | 108.9° | 109.5° |
| CG | CD1 | CE1 | 108.7° | 114.9° |
| CD1 | CG | CD2 | 108.5° | 115.0° |
| CG | CD1 | HD1 | 125.7° | 122.6° |
| CD1 | CE1 | SE2 | 107.9° | 109.6° |
| CE1 | CD1 | HD1 | 125.6° | 122.5° |
| CD1 | CE1 | HE1 | 126.0° | 125.2° |
| CG | CD2 | SE2 | 107.8° | 109.6° |
| CG | CD2 | HD2 | 126.1° | 125.2° |
| CE1 | SE2 | CD2 | 107.1° | 91.0° |
| SE2 | CE1 | HE1 | 126.0° | 125.3° |
| SE2 | CD2 | HD2 | 126.1° | 125.2° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 141.4° | 179.9° |
| O | C | CA | N | 171.1° | 19.9° |
| O | C | CA | CB | 66.7° | 100.1° |
| O | C | CA | HA | 51.4° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 121.3° | 119.9° |
| C | CA | N | HA | 119.2° | 120.0° |
| C | CA | CB | HA | 118.1° | 120.0° |
| C | CA | CB | CG | 156.9° | 175.0° |
| C | CA | N | H | 180.0° | 59.9° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | HB2 | 82.8° | 65.0° |
| C | CA | CB | HB1 | 36.6° | 55.0° |
| CA | C | OXT | HXT | 144.7° | 180.0° |
| N | CA | CB | HA | 120.1° | 120.0° |
| N | CA | CB | CG | 81.4° | 65.0° |
| N | CA | C | OXT | 47.5° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 38.9° | 55.0° |
| N | CA | CB | HB1 | 158.3° | 175.0° |
| CA | CB | CG | HB2 | 120.3° | 120.0° |
| CA | CB | CG | HB1 | 120.3° | 120.1° |
| CA | CB | CG | CD1 | 21.0° | 90.3° |
| CA | CB | CG | CD2 | 159.2° | 90.0° |
| CB | CA | C | OXT | 74.7° | 80.0° |
| CB | CA | N | H | 58.7° | 60.0° |
| CB | CA | N | H2 | 178.7° | 64.0° |
| CA | CB | HB2 | HB1 | 119.1° | 120.1° |
| CB | CG | CD1 | CD2 | 179.9° | 179.7° |
| CB | CG | CD1 | CE1 | 179.8° | 180.0° |
| CB | CG | CD2 | SE2 | 179.9° | 180.0° |
| CG | CB | CA | HA | 38.7° | 55.0° |
| CG | CB | HB2 | HB1 | 119.1° | 120.0° |
| CB | CG | CD2 | HD2 | 0.1° | 0.1° |
| CB | CG | CD1 | HD1 | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | SE2 | 0.4° | 0.1° |
| CD1 | CG | CD2 | SE2 | 0.0° | 0.3° |
| CD1 | CG | CB | HB2 | 99.3° | 149.7° |
| CD1 | CG | CB | HB1 | 141.3° | 29.7° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.8° |
| CG | CD1 | CE1 | HE1 | 179.6° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.3° | 0.3° |
| CD1 | CE1 | SE2 | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | SE2 | CD2 | 0.4° | 0.0° |
| CG | CD2 | SE2 | CE1 | 0.2° | 0.2° |
| CG | CD2 | SE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | CB | HB2 | 80.6° | 29.9° |
| CD2 | CG | CB | HB1 | 38.8° | 149.9° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
| CE1 | SE2 | CD2 | HD2 | 179.8° | 179.9° |
| SE2 | CE1 | CD1 | HD1 | 179.6° | 179.9° |
| CD2 | SE2 | CE1 | HE1 | 179.6° | 179.8° |
| OXT | C | CA | HA | 167.2° | 40.0° |
| H | N | CA | HA | 60.9° | 180.0° |
| H2 | N | CA | HA | 59.2° | 56.1° |
| HA | CA | CB | HB2 | 159.0° | 175.0° |
| HA | CA | CB | HB1 | 81.6° | 65.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.0° |
