OIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA | CE | sing | 1.43Å | 1.40Å | |
| O | C | doub | 1.21Å | 1.19Å | |
| CE | C | sing | 1.51Å | 1.53Å | |
| CE | CB | sing | 1.53Å | 1.54Å | |
| OB | CB | sing | 1.43Å | 1.42Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CG | OG | sing | 1.43Å | 1.41Å | |
| CG | CA | sing | 1.53Å | 1.53Å | |
| CH3 | OG | sing | 1.43Å | 1.40Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| OA | HOE | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CH3 | H5 | sing | 1.09Å | 1.10Å | |
| CH3 | H3 | sing | 1.09Å | 1.10Å | |
| CH3 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA | CE | C | 106.2° | 109.5° |
| OA | CE | CB | 109.6° | 109.5° |
| CE | OA | HOE | 109.5° | 114.0° |
| OA | CE | HE1 | 110.8° | 109.5° |
| O | C | CE | 121.3° | 120.0° |
| O | C | OXT | 119.4° | 120.0° |
| C | CE | CB | 112.4° | 109.4° |
| CE | C | OXT | 119.3° | 120.0° |
| C | CE | HE1 | 109.0° | 109.5° |
| CE | CB | OB | 108.0° | 109.5° |
| CE | CB | CG | 112.4° | 109.5° |
| CE | CB | HB | 107.9° | 109.5° |
| CB | CE | HE1 | 108.9° | 109.5° |
| OB | CB | CG | 111.1° | 109.4° |
| OB | CB | HB | 109.5° | 109.5° |
| CB | OB | HOB | 109.5° | 114.0° |
| CB | CG | OG | 108.2° | 109.4° |
| CB | CG | CA | 111.1° | 109.5° |
| CB | CG | HG | 109.4° | 109.5° |
| CG | CB | HB | 107.9° | 109.5° |
| OG | CG | CA | 107.6° | 109.4° |
| CG | OG | CH3 | 113.0° | 114.0° |
| OG | CG | HG | 111.2° | 109.5° |
| CG | CA | N | 106.5° | 109.5° |
| CG | CA | HA1 | 110.2° | 109.5° |
| CG | CA | HA2 | 110.2° | 109.4° |
| CA | CG | HG | 109.4° | 109.5° |
| OG | CH3 | H5 | 109.5° | 109.5° |
| OG | CH3 | H3 | 109.5° | 109.5° |
| OG | CH3 | H4 | 109.5° | 109.5° |
| N | CA | HA1 | 110.2° | 109.5° |
| N | CA | HA2 | 110.2° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| HA1 | CA | HA2 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.5° | 111.0° |
| H5 | CH3 | H3 | 109.4° | 109.4° |
| H5 | CH3 | H4 | 109.5° | 109.4° |
| H3 | CH3 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | CE | C | O | 12.7° | 5.0° |
| OA | CE | C | CB | 119.8° | 120.0° |
| OA | CE | C | HE1 | 119.4° | 120.0° |
| OA | CE | CB | HE1 | 121.3° | 120.0° |
| OA | CE | CB | OB | 60.7° | 180.0° |
| OA | CE | CB | CG | 62.1° | 60.0° |
| OA | CE | CB | HB | 179.0° | 60.0° |
| OA | CE | C | OXT | 167.2° | 174.9° |
| O | C | CE | OXT | 179.9° | 179.9° |
| O | C | CE | CB | 107.1° | 115.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O | C | CE | HE1 | 132.1° | 125.0° |
| C | CE | CB | HE1 | 120.9° | 120.0° |
| C | CE | CB | OB | 178.6° | 60.1° |
| C | CE | CB | CG | 55.7° | 180.0° |
| C | CE | CB | HB | 63.2° | 60.0° |
| C | CE | OA | HOE | 5.5° | 60.0° |
| CE | C | OXT | HXT | 179.9° | 180.0° |
| CE | CB | OB | CG | 123.7° | 120.0° |
| CE | CB | OB | HB | 117.2° | 120.1° |
| CE | CB | CG | HB | 118.9° | 120.0° |
| CE | CB | CG | OG | 72.4° | 60.1° |
| CE | CB | CG | CA | 169.7° | 180.0° |
| CE | CB | CG | HG | 48.8° | 60.0° |
| CB | CE | C | OXT | 72.9° | 65.1° |
| CE | CB | OB | HOB | 180.0° | 59.9° |
| CB | CE | OA | HOE | 116.2° | 60.0° |
| OB | CB | CG | HB | 120.0° | 120.0° |
| OB | CB | CG | OG | 166.4° | 179.9° |
| OB | CB | CG | CA | 48.5° | 60.0° |
| OB | CB | CG | HG | 72.3° | 60.0° |
| OB | CB | CE | HE1 | 60.6° | 59.9° |
| CB | CG | OG | CA | 120.1° | 120.0° |
| CB | CG | OG | HG | 120.1° | 120.1° |
| CB | CG | CA | HG | 120.8° | 120.0° |
| CB | CG | OG | CH3 | 154.5° | 150.0° |
| CB | CG | CA | N | 50.2° | 180.0° |
| CB | CG | CA | HA1 | 69.4° | 60.0° |
| CB | CG | CA | HA2 | 169.7° | 60.0° |
| CG | CB | OB | HOB | 56.3° | 60.1° |
| CG | CB | CE | HE1 | 176.6° | 60.0° |
| OG | CG | CA | HG | 120.9° | 120.0° |
| OG | CG | CA | N | 68.1° | 60.1° |
| OG | CG | CA | HA1 | 172.4° | 60.0° |
| OG | CG | CA | HA2 | 51.5° | 180.0° |
| OG | CG | CB | HB | 46.5° | 60.0° |
| CG | OG | CH3 | H5 | 180.0° | 59.9° |
| CG | OG | CH3 | H3 | 60.0° | 180.0° |
| CG | OG | CH3 | H4 | 60.0° | 60.0° |
| CA | CG | OG | CH3 | 85.4° | 90.0° |
| CG | CA | N | HA1 | 119.6° | 120.0° |
| CG | CA | N | HA2 | 119.5° | 120.0° |
| CG | CA | HA1 | HA2 | 121.4° | 119.9° |
| CA | CG | CB | HB | 71.4° | 60.0° |
| CG | CA | N | H2 | 180.0° | 180.0° |
| CG | CA | N | H | 60.0° | 56.0° |
| CH3 | OG | CG | HG | 34.4° | 29.9° |
| OG | CH3 | H5 | H3 | 120.0° | 120.1° |
| OG | CH3 | H5 | H4 | 120.0° | 120.0° |
| OG | CH3 | H3 | H4 | 120.0° | 120.1° |
| N | CA | HA1 | HA2 | 121.4° | 120.0° |
| N | CA | CG | HG | 171.0° | 59.9° |
| CA | N | H2 | H | 120.0° | 124.0° |
| HA1 | CA | CG | HG | 51.5° | 180.0° |
| HA1 | CA | N | H2 | 60.4° | 60.0° |
| HA1 | CA | N | H | 179.6° | 176.0° |
| HA2 | CA | CG | HG | 69.4° | 60.0° |
| HA2 | CA | N | H2 | 60.5° | 60.0° |
| HA2 | CA | N | H | 59.5° | 63.9° |
| HG | CG | CB | HB | 167.7° | 180.0° |
| HB | CB | OB | HOB | 62.8° | 180.0° |
| HB | CB | CE | HE1 | 57.7° | 180.0° |
| OXT | C | CE | HE1 | 47.9° | 54.9° |
| HOE | OA | CE | HE1 | 123.6° | 180.0° |
| H5 | CH3 | H3 | H4 | 120.0° | 119.9° |
