AA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.36Å | |
| CN | HCN1 | sing | 1.09Å | 1.10Å | |
| CN | HCN2 | sing | 1.09Å | 1.10Å | |
| CN | HCN3 | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.39Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | NE | sing | 1.40Å | 1.36Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ1 | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | OZ | sing | 1.36Å | 1.37Å | |
| CZ1 | OH1 | sing | 1.36Å | 1.41Å | |
| OZ | HOZ | sing | 0.97Å | 0.95Å | |
| OH1 | HO1 | sing | 0.97Å | 0.95Å | |
| NE | CZ2 | sing | 1.46Å | 1.33Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ2 | OH2 | sing | 1.43Å | 1.22Å | |
| CZ2 | HZ1 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2 | sing | 1.09Å | 1.10Å | |
| OH2 | HO2 | 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 | CN | 114.5° | 111.0° |
| CA | N | HN | 107.8° | 111.0° |
| N | CA | C | 120.9° | 109.4° |
| N | CA | CB | 109.7° | 109.5° |
| N | CA | HA | 100.6° | 109.5° |
| CN | N | HN | 107.8° | 111.0° |
| N | CN | HCN1 | 109.5° | 109.4° |
| N | CN | HCN2 | 109.5° | 109.5° |
| N | CN | HCN3 | 109.5° | 109.5° |
| C | CA | CB | 108.7° | 109.5° |
| C | CA | HA | 101.7° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 112.4° | 120.0° |
| CB | CA | HA | 115.0° | 109.5° |
| CA | CB | CG | 109.3° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.4° |
| O | C | OXT | 127.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HCN1 | CN | HCN2 | 109.5° | 109.4° |
| HCN1 | CN | HCN3 | 109.4° | 109.5° |
| HCN2 | CN | HCN3 | 109.5° | 109.4° |
| CG | CB | HB1 | 109.5° | 109.5° |
| CG | CB | HB2 | 109.5° | 109.4° |
| CB | CG | CD1 | 119.2° | 120.0° |
| CB | CG | CD2 | 118.3° | 119.9° |
| HB1 | CB | HB2 | 109.4° | 109.5° |
| CD1 | CG | CD2 | 122.5° | 120.1° |
| CG | CD1 | CE1 | 119.8° | 120.0° |
| CG | CD1 | NE | 123.8° | 120.0° |
| CG | CD2 | CE2 | 116.5° | 120.1° |
| CG | CD2 | HD2 | 121.7° | 119.9° |
| CE1 | CD1 | NE | 116.3° | 120.0° |
| CD1 | CE1 | CZ1 | 118.1° | 119.9° |
| CD1 | CE1 | HE1 | 121.0° | 120.0° |
| CD1 | NE | CZ2 | 119.8° | 120.0° |
| CD1 | NE | HNE | 106.2° | 120.0° |
| CE2 | CD2 | HD2 | 121.7° | 120.0° |
| CD2 | CE2 | CZ1 | 121.6° | 120.0° |
| CD2 | CE2 | OZ | 117.4° | 120.0° |
| CZ1 | CE1 | HE1 | 120.9° | 120.0° |
| CE1 | CZ1 | CE2 | 121.5° | 119.9° |
| CE1 | CZ1 | OH1 | 117.3° | 120.1° |
| CZ1 | CE2 | OZ | 121.0° | 120.0° |
| CE2 | CZ1 | OH1 | 121.1° | 120.0° |
| CE2 | OZ | HOZ | 109.5° | 114.0° |
| CZ1 | OH1 | HO1 | 109.5° | 114.0° |
| CZ2 | NE | HNE | 106.2° | 120.0° |
| NE | CZ2 | OH2 | 120.1° | 109.4° |
| NE | CZ2 | HZ1 | 106.1° | 109.5° |
| NE | CZ2 | HZ2 | 106.0° | 109.5° |
| OH2 | CZ2 | HZ1 | 106.1° | 109.5° |
| OH2 | CZ2 | HZ2 | 106.1° | 109.5° |
| CZ2 | OH2 | HO2 | 109.5° | 113.9° |
| HZ1 | CZ2 | HZ2 | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | HN | 120.0° | 124.0° |
| N | CA | C | CB | 128.2° | 120.0° |
| N | CA | C | HA | 110.1° | 120.0° |
| N | CA | CB | HA | 112.5° | 120.0° |
| N | CA | C | O | 144.0° | 26.5° |
| N | CA | C | OXT | 39.5° | 153.6° |
| CA | N | CN | HCN1 | 180.0° | 64.4° |
| CA | N | CN | HCN2 | 60.0° | 175.6° |
| CA | N | CN | HCN3 | 60.0° | 55.5° |
| N | CA | CB | CG | 80.7° | 64.0° |
| N | CA | CB | HB1 | 39.3° | 56.0° |
| N | CA | CB | HB2 | 159.3° | 176.1° |
| CN | N | CA | C | 54.3° | 83.5° |
| CN | N | CA | CB | 73.5° | 156.5° |
| CN | N | CA | HA | 165.0° | 36.5° |
| N | CN | HCN1 | HCN2 | 120.0° | 120.0° |
| N | CN | HCN1 | HCN3 | 120.0° | 120.0° |
| N | CN | HCN2 | HCN3 | 120.0° | 120.1° |
| HN | N | CA | C | 174.3° | 40.5° |
| HN | N | CA | CB | 46.5° | 79.5° |
| HN | N | CA | HA | 75.0° | 160.5° |
| HN | N | CN | HCN1 | 60.0° | 59.5° |
| HN | N | CN | HCN2 | 180.0° | 60.5° |
| HN | N | CN | HCN3 | 60.0° | 179.5° |
| C | CA | CB | HA | 113.3° | 120.0° |
| CA | C | O | OXT | 175.9° | 180.0° |
| C | CA | CB | CG | 145.1° | 176.0° |
| C | CA | CB | HB1 | 94.9° | 63.9° |
| C | CA | CB | HB2 | 25.1° | 56.1° |
| CA | C | OXT | HXT | 176.2° | 180.0° |
| CB | CA | C | O | 15.8° | 93.5° |
| CB | CA | C | OXT | 167.7° | 86.5° |
| CA | CB | CG | HB1 | 120.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 119.9° |
| CA | CB | HB1 | HB2 | 120.1° | 120.0° |
| CA | CB | CG | CD1 | 73.4° | 83.4° |
| CA | CB | CG | CD2 | 104.3° | 96.3° |
| HA | CA | C | O | 105.9° | 146.5° |
| HA | CA | C | OXT | 70.6° | 33.6° |
| HA | CA | CB | CG | 31.8° | 56.0° |
| HA | CA | CB | HB1 | 151.8° | 176.1° |
| HA | CA | CB | HB2 | 88.2° | 63.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HCN1 | CN | HCN2 | HCN3 | 120.0° | 119.9° |
| CG | CB | HB1 | HB2 | 120.1° | 120.0° |
| CB | CG | CD1 | CD2 | 177.6° | 179.7° |
| CB | CG | CD1 | CE1 | 179.0° | 180.0° |
| CB | CG | CD1 | NE | 3.1° | 0.1° |
| CB | CG | CD2 | CE2 | 178.6° | 180.0° |
| CB | CG | CD2 | HD2 | 1.4° | 0.0° |
| HB1 | CB | CG | CD1 | 166.6° | 156.5° |
| HB1 | CB | CG | CD2 | 15.7° | 23.8° |
| HB2 | CB | CG | CD1 | 46.5° | 36.5° |
| HB2 | CB | CG | CD2 | 135.7° | 143.8° |
| CG | CD1 | CE1 | NE | 176.2° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.0° | 179.7° |
| CG | CD1 | CE1 | CZ1 | 1.9° | 0.1° |
| CG | CD1 | CE1 | HE1 | 178.1° | 180.0° |
| CG | CD1 | NE | CZ2 | 79.7° | 174.2° |
| CG | CD1 | NE | HNE | 40.3° | 5.8° |
| CD2 | CG | CD1 | CE1 | 1.4° | 0.3° |
| CD2 | CG | CD1 | NE | 174.6° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ1 | 1.1° | 0.0° |
| CG | CD2 | CE2 | OZ | 180.0° | 180.0° |
| CD1 | CE1 | CZ1 | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ1 | CE2 | 2.0° | 0.2° |
| CD1 | CE1 | CZ1 | OH1 | 176.4° | 180.0° |
| CE1 | CD1 | NE | CZ2 | 104.2° | 5.9° |
| CE1 | CD1 | NE | HNE | 135.7° | 174.1° |
| NE | CD1 | CE1 | CZ1 | 174.4° | 180.0° |
| NE | CD1 | CE1 | HE1 | 5.6° | 0.1° |
| CD1 | NE | CZ2 | HNE | 120.0° | 180.0° |
| CD1 | NE | CZ2 | OH2 | 7.1° | 95.0° |
| CD1 | NE | CZ2 | HZ1 | 113.0° | 145.0° |
| CD1 | NE | CZ2 | HZ2 | 127.1° | 24.9° |
| CD2 | CE2 | CZ1 | CE1 | 1.7° | 0.3° |
| CD2 | CE2 | CZ1 | OZ | 178.9° | 180.0° |
| CD2 | CE2 | CZ1 | OH1 | 176.7° | 179.9° |
| CD2 | CE2 | OZ | HOZ | 180.0° | 90.0° |
| HD2 | CD2 | CE2 | CZ1 | 178.9° | 180.0° |
| HD2 | CD2 | CE2 | OZ | 0.0° | 0.0° |
| CE1 | CZ1 | CE2 | OH1 | 178.4° | 179.8° |
| CE1 | CZ1 | CE2 | OZ | 179.5° | 179.7° |
| CE1 | CZ1 | OH1 | HO1 | 180.0° | 90.0° |
| HE1 | CE1 | CZ1 | CE2 | 178.0° | 179.7° |
| HE1 | CE1 | CZ1 | OH1 | 3.6° | 0.1° |
| CZ1 | CE2 | OZ | HOZ | 1.1° | 90.0° |
| CE2 | CZ1 | OH1 | HO1 | 1.5° | 89.7° |
| OZ | CE2 | CZ1 | OH1 | 2.1° | 0.1° |
| NE | CZ2 | OH2 | HZ1 | 120.0° | 120.0° |
| NE | CZ2 | OH2 | HZ2 | 120.0° | 120.0° |
| NE | CZ2 | HZ1 | HZ2 | 115.6° | 120.0° |
| NE | CZ2 | OH2 | HO2 | 180.0° | 179.9° |
| HNE | NE | CZ2 | OH2 | 127.1° | 85.0° |
| HNE | NE | CZ2 | HZ1 | 7.1° | 35.0° |
| HNE | NE | CZ2 | HZ2 | 112.9° | 155.0° |
| OH2 | CZ2 | HZ1 | HZ2 | 115.6° | 120.0° |
| HZ1 | CZ2 | OH2 | HO2 | 60.0° | 60.1° |
| HZ2 | CZ2 | OH2 | HO2 | 60.0° | 59.9° |
