ILE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CG1 | HG13 | sing | 1.09Å | 1.11Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.12Å | |
| CG2 | HG23 | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.11Å | |
| CD1 | HD12 | sing | 1.09Å | 1.12Å | |
| CD1 | HD13 | sing | 1.09Å | 1.12Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.2° | 106.7° |
| CA | N | H2 | 111.6° | 106.7° |
| N | CA | C | 111.2° | 109.5° |
| N | CA | CB | 112.2° | 109.4° |
| N | CA | HA | 105.8° | 109.5° |
| H | N | H2 | 111.5° | 106.8° |
| C | CA | CB | 107.5° | 109.5° |
| C | CA | HA | 110.6° | 109.4° |
| CA | C | O | 117.8° | 120.0° |
| CA | C | OXT | 117.6° | 120.0° |
| CB | CA | HA | 109.6° | 109.4° |
| CA | CB | CG1 | 110.3° | 109.5° |
| CA | CB | CG2 | 110.3° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| O | C | OXT | 124.6° | 120.0° |
| C | OXT | HXT | 117.5° | 120.1° |
| CG1 | CB | CG2 | 110.1° | 109.4° |
| CG1 | CB | HB | 108.8° | 109.5° |
| CB | CG1 | CD1 | 113.1° | 109.5° |
| CB | CG1 | HG12 | 110.8° | 109.4° |
| CB | CG1 | HG13 | 110.9° | 109.5° |
| CG2 | CB | HB | 108.8° | 109.4° |
| CB | CG2 | HG21 | 110.3° | 109.5° |
| CB | CG2 | HG22 | 111.9° | 109.4° |
| CB | CG2 | HG23 | 112.0° | 109.5° |
| CD1 | CG1 | HG12 | 110.9° | 109.4° |
| CD1 | CG1 | HG13 | 110.9° | 109.5° |
| CG1 | CD1 | HD11 | 113.1° | 109.6° |
| CG1 | CD1 | HD12 | 110.9° | 109.5° |
| CG1 | CD1 | HD13 | 110.9° | 109.5° |
| HG12 | CG1 | HG13 | 99.4° | 109.5° |
| HG21 | CG2 | HG22 | 111.9° | 109.5° |
| HG21 | CG2 | HG23 | 111.9° | 109.5° |
| HG22 | CG2 | HG23 | 98.4° | 109.4° |
| HD11 | CD1 | HD12 | 110.9° | 109.5° |
| HD11 | CD1 | HD13 | 110.8° | 109.4° |
| HD12 | CD1 | HD13 | 99.4° | 109.4° |
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 | CB | 123.2° | 120.0° |
| N | CA | C | HA | 117.2° | 120.0° |
| N | CA | CB | HA | 117.2° | 120.0° |
| N | CA | C | O | 38.4° | 30.1° |
| N | CA | C | OXT | 143.2° | 150.1° |
| N | CA | CB | CG1 | 163.6° | 60.0° |
| N | CA | CB | CG2 | 74.6° | 180.0° |
| N | CA | CB | HB | 44.5° | 60.1° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 59.6° | 60.1° |
| H | N | CA | HA | 59.9° | 180.0° |
| H2 | N | CA | C | 54.7° | 173.9° |
| H2 | N | CA | CB | 65.7° | 53.8° |
| H2 | N | CA | HA | 174.9° | 66.1° |
| C | CA | CB | HA | 120.3° | 120.0° |
| CA | C | O | OXT | 178.2° | 179.9° |
| C | CA | CB | CG1 | 73.8° | 180.0° |
| C | CA | CB | CG2 | 48.0° | 60.0° |
| C | CA | CB | HB | 167.0° | 59.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 84.7° | 89.9° |
| CB | CA | C | OXT | 93.6° | 89.9° |
| CA | CB | CG1 | CG2 | 121.9° | 120.0° |
| CA | CB | CG1 | HB | 118.9° | 120.1° |
| CA | CB | CG2 | HB | 118.9° | 120.0° |
| CA | CB | CG1 | CD1 | 174.2° | 180.0° |
| CA | CB | CG1 | HG12 | 48.9° | 60.0° |
| CA | CB | CG1 | HG13 | 60.6° | 60.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 54.7° | 179.9° |
| CA | CB | CG2 | HG23 | 54.7° | 60.0° |
| HA | CA | C | O | 155.6° | 150.1° |
| HA | CA | C | OXT | 26.0° | 30.0° |
| HA | CA | CB | CG1 | 46.4° | 60.0° |
| HA | CA | CB | CG2 | 168.2° | 60.0° |
| HA | CA | CB | HB | 72.7° | 179.9° |
| O | C | OXT | HXT | 1.8° | 0.1° |
| CG1 | CB | CG2 | HB | 119.1° | 120.0° |
| CB | CG1 | CD1 | HG12 | 125.2° | 120.0° |
| CB | CG1 | CD1 | HG13 | 125.3° | 120.0° |
| CB | CG1 | HG12 | HG13 | 116.7° | 120.0° |
| CG1 | CB | CG2 | HG21 | 58.0° | 60.1° |
| CG1 | CB | CG2 | HG22 | 176.7° | 60.0° |
| CG1 | CB | CG2 | HG23 | 67.2° | 179.9° |
| CB | CG1 | CD1 | HD11 | 179.9° | 180.0° |
| CB | CG1 | CD1 | HD12 | 54.7° | 59.9° |
| CB | CG1 | CD1 | HD13 | 54.8° | 60.0° |
| CG2 | CB | CG1 | CD1 | 52.2° | 60.0° |
| CG2 | CB | CG1 | HG12 | 73.0° | 180.0° |
| CG2 | CB | CG1 | HG13 | 177.5° | 60.0° |
| CB | CG2 | HG21 | HG22 | 125.3° | 120.0° |
| CB | CG2 | HG21 | HG23 | 125.3° | 120.0° |
| CB | CG2 | HG22 | HG23 | 117.8° | 120.0° |
| HB | CB | CG1 | CD1 | 66.9° | 59.9° |
| HB | CB | CG1 | HG12 | 167.8° | 60.1° |
| HB | CB | CG1 | HG13 | 58.4° | 180.0° |
| HB | CB | CG2 | HG21 | 61.1° | 179.9° |
| HB | CB | CG2 | HG22 | 64.2° | 60.0° |
| HB | CB | CG2 | HG23 | 173.6° | 59.9° |
| CD1 | CG1 | HG12 | HG13 | 116.8° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 125.3° | 120.1° |
| CG1 | CD1 | HD11 | HD13 | 125.2° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 116.8° | 119.9° |
| HG12 | CG1 | CD1 | HD11 | 54.7° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 179.9° | 60.1° |
| HG12 | CG1 | CD1 | HD13 | 70.5° | 180.0° |
| HG13 | CG1 | CD1 | HD11 | 54.8° | 60.0° |
| HG13 | CG1 | CD1 | HD12 | 70.5° | 179.9° |
| HG13 | CG1 | CD1 | HD13 | 180.0° | 60.1° |
| HG21 | CG2 | HG22 | HG23 | 117.7° | 120.0° |
| HD11 | CD1 | HD12 | HD13 | 116.7° | 119.9° |
