A1AT6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.25Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.27Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.48Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.51Å | Aromatic |
| C19 | N | sing | 1.40Å | 1.67Å | |
| C | O | doub | 1.21Å | 1.18Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| C23 | C18 | sing | 1.38Å | 1.66Å | Aromatic |
| C18 | CB | sing | 1.51Å | 1.35Å | |
| N | CA | sing | 1.47Å | 1.51Å | |
| CA | CB | sing | 1.54Å | 1.36Å | |
| C | OXT | sing | 1.34Å | 1.45Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 125.9° | 120.3° |
| C21 | C20 | C19 | 125.0° | 120.3° |
| C21 | C20 | H4 | 117.5° | 119.9° |
| C20 | C21 | H5 | 117.1° | 119.9° |
| C21 | C22 | C23 | 126.5° | 119.8° |
| C22 | C21 | H5 | 117.0° | 119.9° |
| C21 | C22 | H6 | 116.8° | 120.1° |
| C20 | C19 | C18 | 114.6° | 119.0° |
| C20 | C19 | N | 141.4° | 129.3° |
| C19 | C20 | H4 | 117.5° | 119.8° |
| C22 | C23 | C18 | 113.3° | 120.2° |
| C23 | C22 | H6 | 116.8° | 120.1° |
| C22 | C23 | H7 | 123.4° | 119.8° |
| C18 | C19 | N | 104.0° | 111.7° |
| C19 | C18 | C23 | 114.8° | 120.5° |
| C19 | C18 | CB | 103.8° | 108.5° |
| C19 | N | CA | 102.7° | 110.1° |
| C19 | N | H | 111.2° | 125.0° |
| O | C | CA | 121.3° | 120.0° |
| O | C | OXT | 121.3° | 120.0° |
| C | CA | N | 106.7° | 110.3° |
| C | CA | CB | 110.9° | 110.3° |
| CA | C | OXT | 117.4° | 120.0° |
| C | CA | HA | 110.3° | 110.3° |
| C23 | C18 | CB | 141.4° | 131.0° |
| C18 | C23 | H7 | 123.4° | 120.0° |
| C18 | CB | CA | 122.6° | 104.5° |
| C18 | CB | HB1 | 106.1° | 110.5° |
| C18 | CB | HB2 | 106.1° | 110.5° |
| N | CA | CB | 104.2° | 105.2° |
| N | CA | HA | 111.0° | 110.4° |
| CA | N | H | 111.1° | 124.9° |
| CB | CA | HA | 113.4° | 110.3° |
| CA | CB | HB1 | 106.1° | 110.4° |
| CA | CB | HB2 | 106.1° | 110.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB1 | CB | HB2 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | N | 179.4° | 180.0° |
| C20 | C21 | C22 | H6 | 179.5° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.5° | 0.0° |
| C22 | C21 | C20 | H4 | 179.7° | 180.0° |
| C21 | C22 | C23 | H7 | 179.6° | 180.0° |
| C20 | C19 | C18 | N | 179.6° | 179.9° |
| C20 | C19 | C18 | C23 | 0.1° | 0.1° |
| C20 | C19 | C18 | CB | 180.0° | 180.0° |
| C20 | C19 | N | CA | 171.2° | 180.0° |
| C19 | C20 | C21 | H5 | 179.7° | 180.0° |
| C20 | C19 | N | H | 52.2° | 0.1° |
| C22 | C23 | C18 | C19 | 0.3° | 0.1° |
| C22 | C23 | C18 | H7 | 180.0° | 179.9° |
| C22 | C23 | C18 | CB | 179.8° | 180.0° |
| C23 | C22 | C21 | H5 | 179.5° | 180.0° |
| C19 | C18 | C23 | CB | 179.9° | 179.9° |
| C18 | C19 | N | CA | 9.4° | 0.1° |
| C19 | C18 | CB | CA | 11.4° | 0.0° |
| C19 | C18 | CB | HB1 | 110.4° | 118.7° |
| C19 | C18 | CB | HB2 | 133.2° | 118.8° |
| C18 | C19 | C20 | H4 | 179.9° | 180.0° |
| C19 | C18 | C23 | H7 | 179.8° | 180.0° |
| C18 | C19 | N | H | 128.3° | 180.0° |
| C19 | N | CA | C | 102.7° | 118.9° |
| N | C19 | C18 | C23 | 179.7° | 180.0° |
| N | C19 | C18 | CB | 0.4° | 0.1° |
| C19 | N | CA | H | 118.9° | 179.9° |
| C19 | N | CA | CB | 14.8° | 0.0° |
| C19 | N | CA | HA | 137.1° | 118.9° |
| N | C19 | C20 | H4 | 0.5° | 0.0° |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 167.5° | 15.7° |
| O | C | CA | CB | 79.6° | 100.0° |
| O | C | CA | HA | 46.8° | 138.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | C18 | 96.4° | 119.0° |
| C | CA | N | CB | 117.4° | 118.9° |
| C | CA | N | HA | 120.2° | 122.2° |
| C | CA | CB | HA | 124.7° | 122.0° |
| C | CA | CB | HB1 | 141.8° | 0.2° |
| C | CA | CB | HB2 | 25.4° | 122.2° |
| C | CA | N | H | 16.2° | 61.0° |
| CA | C | OXT | HXT | 179.9° | 179.8° |
| C23 | C18 | CB | CA | 168.6° | 179.9° |
| C23 | C18 | CB | HB1 | 69.6° | 61.2° |
| C23 | C18 | CB | HB2 | 46.8° | 61.3° |
| C18 | C23 | C22 | H6 | 179.5° | 179.9° |
| C18 | CB | CA | N | 18.1° | 0.0° |
| C18 | CB | CA | HB1 | 121.8° | 118.8° |
| C18 | CB | CA | HB2 | 121.8° | 118.9° |
| C18 | CB | CA | HA | 138.9° | 119.0° |
| C18 | CB | HB1 | HB2 | 114.1° | 122.5° |
| CB | C18 | C23 | H7 | 0.2° | 0.1° |
| N | CA | CB | HA | 120.8° | 119.0° |
| N | CA | C | OXT | 12.5° | 163.9° |
| N | CA | CB | HB1 | 103.7° | 118.8° |
| N | CA | CB | HB2 | 140.0° | 118.9° |
| CB | CA | C | OXT | 100.4° | 80.3° |
| CA | CB | HB1 | HB2 | 114.0° | 122.3° |
| CB | CA | N | H | 133.7° | 180.0° |
| OXT | C | CA | HA | 133.1° | 41.7° |
| HA | CA | CB | HB1 | 17.1° | 122.2° |
| HA | CA | CB | HB2 | 99.3° | 0.1° |
| HA | CA | N | H | 104.0° | 61.1° |
| H4 | C20 | C21 | H5 | 0.3° | 0.0° |
| H5 | C21 | C22 | H6 | 0.5° | 0.0° |
| H6 | C22 | C23 | H7 | 0.4° | 0.0° |
