AIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.53Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB1 | sing | 1.53Å | 1.49Å | |
| CA | CB2 | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CB1 | HB13 | sing | 1.09Å | 1.12Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| CB2 | HB23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.1° | 106.7° |
| CA | N | H2 | 112.4° | 106.7° |
| N | CA | C | 109.1° | 109.4° |
| N | CA | CB1 | 109.1° | 109.4° |
| N | CA | CB2 | 109.8° | 109.5° |
| H | N | H2 | 112.4° | 106.7° |
| C | CA | CB1 | 111.0° | 109.5° |
| C | CA | CB2 | 111.6° | 109.5° |
| CA | C | O | 113.1° | 119.9° |
| CA | C | OXT | 123.7° | 120.1° |
| CB1 | CA | CB2 | 106.3° | 109.5° |
| CA | CB1 | HB11 | 109.0° | 109.5° |
| CA | CB1 | HB12 | 112.3° | 109.4° |
| CA | CB1 | HB13 | 112.3° | 109.5° |
| CA | CB2 | HB21 | 109.8° | 109.5° |
| CA | CB2 | HB22 | 112.1° | 109.5° |
| CA | CB2 | HB23 | 112.1° | 109.5° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 123.7° | 120.0° |
| HB11 | CB1 | HB12 | 112.4° | 109.5° |
| HB11 | CB1 | HB13 | 112.4° | 109.5° |
| HB12 | CB1 | HB13 | 98.1° | 109.5° |
| HB21 | CB2 | HB22 | 112.0° | 109.5° |
| HB21 | CB2 | HB23 | 112.1° | 109.4° |
| HB22 | CB2 | HB23 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | CB1 | 120.2° | 119.9° |
| N | CA | C | CB2 | 121.5° | 120.0° |
| N | CA | CB1 | CB2 | 118.3° | 120.0° |
| N | CA | C | O | 131.0° | 150.0° |
| N | CA | C | OXT | 45.9° | 30.1° |
| N | CA | CB1 | HB11 | 180.0° | 60.1° |
| N | CA | CB1 | HB12 | 54.8° | 180.0° |
| N | CA | CB1 | HB13 | 54.8° | 60.0° |
| N | CA | CB2 | HB21 | 180.0° | 180.0° |
| N | CA | CB2 | HB22 | 54.8° | 60.0° |
| N | CA | CB2 | HB23 | 54.7° | 60.0° |
| H | N | CA | C | 179.9° | 59.9° |
| H | N | CA | CB1 | 58.7° | 60.0° |
| H | N | CA | CB2 | 57.3° | 180.0° |
| H2 | N | CA | C | 54.7° | 53.8° |
| H2 | N | CA | CB1 | 66.7° | 173.8° |
| H2 | N | CA | CB2 | 177.3° | 66.2° |
| C | CA | CB1 | CB2 | 121.5° | 120.1° |
| CA | C | O | OXT | 177.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C | CA | CB1 | HB11 | 59.8° | 180.0° |
| C | CA | CB1 | HB12 | 175.0° | 60.1° |
| C | CA | CB1 | HB13 | 65.4° | 59.9° |
| C | CA | CB2 | HB21 | 58.9° | 60.0° |
| C | CA | CB2 | HB22 | 66.3° | 180.0° |
| C | CA | CB2 | HB23 | 175.8° | 59.9° |
| CB1 | CA | C | O | 108.8° | 30.1° |
| CB1 | CA | C | OXT | 74.3° | 150.0° |
| CA | CB1 | HB11 | HB12 | 125.2° | 119.9° |
| CA | CB1 | HB11 | HB13 | 125.2° | 120.0° |
| CA | CB1 | HB12 | HB13 | 118.3° | 120.0° |
| CB1 | CA | CB2 | HB21 | 62.2° | 60.1° |
| CB1 | CA | CB2 | HB22 | 172.6° | 60.0° |
| CB1 | CA | CB2 | HB23 | 63.1° | 180.0° |
| CB2 | CA | C | O | 9.5° | 90.0° |
| CB2 | CA | C | OXT | 167.4° | 89.9° |
| CB2 | CA | CB1 | HB11 | 61.7° | 59.9° |
| CB2 | CA | CB1 | HB12 | 63.5° | 60.0° |
| CB2 | CA | CB1 | HB13 | 173.1° | 180.0° |
| CA | CB2 | HB21 | HB22 | 125.2° | 120.0° |
| CA | CB2 | HB21 | HB23 | 125.3° | 120.0° |
| CA | CB2 | HB22 | HB23 | 118.0° | 120.0° |
| O | C | OXT | HXT | 3.3° | 0.1° |
| HB11 | CB1 | HB12 | HB13 | 118.3° | 120.1° |
| HB21 | CB2 | HB22 | HB23 | 118.0° | 119.9° |
