A1AUG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.25Å | |
| O | C | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| OE1 | CD | doub | 1.21Å | 1.11Å | |
| CD | CG | sing | 1.51Å | 1.51Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | HD | sing | 1.08Å | 1.08Å | |
| O | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 119.7° | 120.0° |
| OXT | C | CA | 120.8° | 120.0° |
| O | C | CA | 119.5° | 120.0° |
| C | O | H3 | 109.5° | 117.0° |
| C | CA | CB | 107.3° | 109.5° |
| C | CA | N | 112.5° | 109.5° |
| C | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 108.8° | 109.5° |
| CB | CA | N | 107.6° | 109.5° |
| CB | CA | HA | 109.4° | 109.4° |
| CA | CB | HB2 | 109.6° | 109.4° |
| CA | CB | HB3 | 109.6° | 109.5° |
| CB | CG | CD | 102.2° | 109.5° |
| CG | CB | HB2 | 109.6° | 109.5° |
| CG | CB | HB3 | 109.6° | 109.5° |
| CB | CG | HG3 | 111.3° | 109.5° |
| CB | CG | HG2 | 111.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| N | CA | HA | 110.7° | 109.5° |
| OE1 | CD | CG | 122.2° | 120.0° |
| OE1 | CD | HD | 118.9° | 120.0° |
| CD | CG | HG3 | 111.3° | 109.4° |
| CD | CG | HG2 | 111.3° | 109.4° |
| CG | CD | HD | 118.9° | 120.0° |
| H2 | N | H | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG3 | CG | HG2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.7° | 180.0° |
| OXT | C | CA | CB | 97.9° | 100.0° |
| OXT | C | CA | N | 20.3° | 20.0° |
| OXT | C | CA | HA | 143.6° | 140.0° |
| OXT | C | O | H3 | 0.0° | 0.0° |
| O | C | CA | CB | 81.8° | 80.0° |
| O | C | CA | N | 160.1° | 160.0° |
| O | C | CA | HA | 36.8° | 40.0° |
| C | CA | CB | N | 121.3° | 120.0° |
| C | CA | CB | HA | 118.4° | 120.0° |
| C | CA | CB | CG | 155.5° | 175.0° |
| C | CA | N | HA | 122.5° | 120.0° |
| C | CA | N | H2 | 180.0° | 64.0° |
| C | CA | N | H | 60.0° | 60.0° |
| C | CA | CB | HB2 | 84.6° | 65.0° |
| C | CA | CB | HB3 | 35.6° | 55.0° |
| CA | C | O | H3 | 179.7° | 180.0° |
| CA | CB | CG | HB2 | 119.9° | 120.0° |
| CA | CB | CG | HB3 | 119.9° | 120.0° |
| CB | CA | N | HA | 119.5° | 120.0° |
| CA | CB | CG | CD | 114.3° | 180.0° |
| CB | CA | N | H2 | 62.0° | 176.0° |
| CB | CA | N | H | 178.0° | 60.0° |
| CA | CB | HB2 | HB3 | 120.3° | 120.0° |
| CA | CB | CG | HG3 | 4.5° | 60.0° |
| CA | CB | CG | HG2 | 126.8° | 60.0° |
| CG | CB | CA | N | 83.2° | 65.0° |
| CB | CG | CD | OE1 | 106.7° | 125.0° |
| CB | CG | CD | HG3 | 118.8° | 120.0° |
| CB | CG | CD | HG2 | 118.9° | 120.0° |
| CG | CB | CA | HA | 37.1° | 55.0° |
| CG | CB | HB2 | HB3 | 120.3° | 120.0° |
| CB | CG | HG3 | HG2 | 123.4° | 120.0° |
| CB | CG | CD | HD | 73.3° | 55.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | HB2 | 36.7° | 55.0° |
| N | CA | CB | HB3 | 157.0° | 175.0° |
| OE1 | CD | CG | HD | 180.0° | 179.9° |
| OE1 | CD | CG | HG3 | 134.4° | 4.9° |
| OE1 | CD | CG | HG2 | 12.1° | 115.1° |
| CD | CG | CB | HB2 | 125.8° | 60.0° |
| CD | CG | CB | HB3 | 5.6° | 60.0° |
| CD | CG | HG3 | HG2 | 123.4° | 120.0° |
| H2 | N | CA | HA | 57.5° | 56.0° |
| H | N | CA | HA | 62.5° | 180.0° |
| HA | CA | CB | HB2 | 157.0° | 175.0° |
| HA | CA | CB | HB3 | 82.8° | 65.0° |
| HB2 | CB | CG | HG3 | 115.4° | 180.0° |
| HB2 | CB | CG | HG2 | 6.9° | 60.0° |
| HB3 | CB | CG | HG3 | 124.4° | 60.0° |
| HB3 | CB | CG | HG2 | 113.3° | 180.0° |
| HG3 | CG | CD | HD | 45.6° | 175.0° |
| HG2 | CG | CD | HD | 167.9° | 65.0° |
