A1ADO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CD2 | F2 | sing | 1.40Å | 1.36Å | |
| CD2 | CG | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| 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 | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 125.4° | 120.0° |
| O | C | OXT | 118.0° | 120.0° |
| C | CA | CB | 107.7° | 109.5° |
| C | CA | N | 112.1° | 109.5° |
| CA | C | OXT | 116.6° | 120.0° |
| C | CA | HA | 108.3° | 109.5° |
| CB | CA | N | 110.8° | 109.5° |
| CA | CB | CG | 114.5° | 109.5° |
| CB | CA | HA | 108.7° | 109.4° |
| CA | CB | HB2 | 108.2° | 109.5° |
| CA | CB | HB3 | 108.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| F2 | CD2 | CG | 111.7° | 109.5° |
| F2 | CD2 | HD21 | 108.9° | 109.5° |
| F2 | CD2 | HD22 | 108.9° | 109.5° |
| CD2 | CG | CB | 108.1° | 109.4° |
| CD2 | CG | CD1 | 110.8° | 109.5° |
| CD2 | CG | HG | 109.9° | 109.5° |
| CG | CD2 | HD21 | 108.9° | 109.4° |
| CG | CD2 | HD22 | 108.9° | 109.5° |
| CB | CG | CD1 | 107.7° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.4° |
| CG | CB | HB3 | 108.2° | 109.5° |
| CB | CG | HG | 110.4° | 109.4° |
| CD1 | CG | HG | 110.0° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.4° | 109.4° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.6° | 179.9° |
| O | C | CA | CB | 68.7° | 100.0° |
| O | C | CA | N | 169.2° | 20.1° |
| O | C | CA | HA | 48.7° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | N | 122.9° | 120.0° |
| C | CA | CB | HA | 117.2° | 120.0° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | CB | CG | 168.8° | 174.8° |
| C | CA | N | H | 180.0° | 65.9° |
| C | CA | N | H2 | 60.0° | 170.2° |
| C | CA | CB | HB2 | 70.5° | 65.2° |
| C | CA | CB | HB3 | 48.1° | 54.7° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| CB | CA | N | HA | 119.6° | 120.0° |
| CA | CB | CG | CD2 | 61.6° | 65.8° |
| CA | CB | CG | HB2 | 120.7° | 120.0° |
| CA | CB | CG | HB3 | 120.8° | 120.0° |
| CA | CB | CG | CD1 | 178.7° | 174.2° |
| CB | CA | C | OXT | 112.7° | 80.0° |
| CB | CA | N | H | 59.6° | 54.1° |
| CB | CA | N | H2 | 179.6° | 69.8° |
| CA | CB | HB2 | HB3 | 117.7° | 120.0° |
| CA | CB | CG | HG | 58.7° | 54.2° |
| N | CA | CB | CG | 68.3° | 65.2° |
| N | CA | C | OXT | 9.4° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 52.5° | 54.8° |
| N | CA | CB | HB3 | 171.0° | 174.7° |
| F2 | CD2 | CG | HD21 | 120.3° | 120.0° |
| F2 | CD2 | CG | HD22 | 120.3° | 120.0° |
| F2 | CD2 | CG | CB | 165.6° | 180.0° |
| F2 | CD2 | CG | CD1 | 76.7° | 60.0° |
| F2 | CD2 | CG | HG | 45.0° | 60.1° |
| F2 | CD2 | HD21 | HD22 | 119.0° | 120.0° |
| CD2 | CG | CB | CD1 | 119.7° | 120.0° |
| CD2 | CG | CB | HG | 120.3° | 120.0° |
| CD2 | CG | CD1 | HG | 121.7° | 120.1° |
| CD2 | CG | CB | HB2 | 177.7° | 174.2° |
| CD2 | CG | CB | HB3 | 59.2° | 54.3° |
| CD2 | CG | CD1 | HD11 | 180.0° | 64.4° |
| CD2 | CG | CD1 | HD12 | 60.0° | 175.7° |
| CD2 | CG | CD1 | HD13 | 60.0° | 55.7° |
| CG | CD2 | HD21 | HD22 | 119.0° | 120.0° |
| CB | CG | CD1 | HG | 120.3° | 119.9° |
| CG | CB | CA | HA | 51.6° | 54.8° |
| CG | CB | HB2 | HB3 | 117.7° | 120.0° |
| CB | CG | CD1 | HD11 | 62.0° | 175.7° |
| CB | CG | CD1 | HD12 | 58.0° | 55.7° |
| CB | CG | CD1 | HD13 | 178.0° | 64.3° |
| CB | CG | CD2 | HD21 | 45.2° | 60.1° |
| CB | CG | CD2 | HD22 | 74.1° | 60.0° |
| CD1 | CG | CB | HB2 | 58.0° | 54.2° |
| CD1 | CG | CB | HB3 | 60.5° | 65.8° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 162.9° | 60.0° |
| CD1 | CG | CD2 | HD22 | 43.6° | 180.0° |
| OXT | C | CA | HA | 129.8° | 40.0° |
| H | N | CA | HA | 60.1° | 174.1° |
| H2 | N | CA | HA | 60.0° | 50.2° |
| HA | CA | CB | HB2 | 172.4° | 174.7° |
| HA | CA | CB | HB3 | 69.1° | 65.3° |
| HB2 | CB | CG | HG | 62.1° | 65.8° |
| HB3 | CB | CG | HG | 179.4° | 174.2° |
| HG | CG | CD1 | HD11 | 58.3° | 55.7° |
| HG | CG | CD1 | HD12 | 178.3° | 64.3° |
| HG | CG | CD1 | HD13 | 61.7° | 175.7° |
| HG | CG | CD2 | HD21 | 75.3° | 180.0° |
| HG | CG | CD2 | HD22 | 165.3° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
