00B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CA | N | sing | 1.47Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.54Å | 1.57Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CD | N | sing | 1.49Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CG1 | CB | sing | 1.53Å | 1.54Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CG1 | HG1B | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| SG3 | CB | sing | 1.84Å | 1.77Å | |
| SG3 | CD | sing | 1.84Å | 1.69Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | OXT | 119.2° | 120.0° |
| CA | C | O | 121.7° | 120.0° |
| C | CA | N | 106.1° | 108.8° |
| C | CA | HA | 108.7° | 108.8° |
| C | CA | CB | 112.8° | 108.8° |
| OXT | C | O | 119.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HN | N | CA | 108.5° | 111.0° |
| HN | N | CD | 108.5° | 111.0° |
| N | CA | HA | 114.5° | 108.8° |
| N | CA | CB | 106.9° | 112.8° |
| CA | N | CD | 112.4° | 111.0° |
| HA | CA | CB | 108.0° | 108.7° |
| CA | CB | CG2 | 108.0° | 110.6° |
| CA | CB | CG1 | 114.2° | 110.6° |
| CA | CB | SG3 | 103.8° | 103.5° |
| CG2 | CB | CG1 | 110.0° | 110.5° |
| CB | CG2 | HG2 | 109.5° | 109.4° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.4° | 109.4° |
| CG2 | CB | SG3 | 109.7° | 110.6° |
| N | CD | HD | 110.5° | 111.1° |
| N | CD | HDA | 110.5° | 111.2° |
| N | CD | SG3 | 106.4° | 100.9° |
| HD | CD | HDA | 108.4° | 111.0° |
| HD | CD | SG3 | 110.5° | 111.1° |
| HDA | CD | SG3 | 110.5° | 111.2° |
| CB | CG1 | HG1 | 109.5° | 109.5° |
| CB | CG1 | HG1A | 109.4° | 109.4° |
| CB | CG1 | HG1B | 109.5° | 109.5° |
| CG1 | CB | SG3 | 110.9° | 110.8° |
| HG1 | CG1 | HG1A | 109.5° | 109.5° |
| HG1 | CG1 | HG1B | 109.5° | 109.5° |
| HG1A | CG1 | HG1B | 109.5° | 109.4° |
| HG2 | CG2 | HG2A | 109.4° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
| CB | SG3 | CD | 99.7° | 94.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | OXT | O | 180.0° | 179.7° |
| C | CA | N | HN | 133.8° | 83.3° |
| C | CA | N | HA | 119.9° | 118.4° |
| C | CA | N | CB | 120.6° | 120.9° |
| C | CA | HA | CB | 122.7° | 118.3° |
| C | CA | CB | CG2 | 156.4° | 116.7° |
| C | CA | N | CD | 106.1° | 152.7° |
| C | CA | CB | CG1 | 33.7° | 6.1° |
| C | CA | CB | SG3 | 87.1° | 124.8° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CA | N | 148.1° | 161.5° |
| OXT | C | CA | HA | 24.5° | 43.1° |
| OXT | C | CA | CB | 95.3° | 75.2° |
| HN | N | CA | CD | 120.0° | 123.9° |
| HN | N | CA | HA | 14.0° | 35.0° |
| HN | N | CA | CB | 105.5° | 155.7° |
| HN | N | CD | HD | 8.0° | 48.5° |
| HN | N | CD | HDA | 112.0° | 75.7° |
| HN | N | CD | SG3 | 128.0° | 166.4° |
| O | C | CA | N | 32.0° | 18.8° |
| O | C | CA | HA | 155.5° | 137.3° |
| O | C | CA | CB | 84.7° | 104.5° |
| O | C | OXT | HXT | 0.0° | 0.4° |
| N | CA | HA | CB | 118.9° | 123.2° |
| N | CA | CB | CG2 | 87.3° | 122.4° |
| CA | N | CD | HD | 112.0° | 75.4° |
| CA | N | CD | HDA | 128.0° | 160.4° |
| N | CA | CB | CG1 | 150.0° | 114.8° |
| N | CA | CB | SG3 | 29.1° | 3.9° |
| CA | N | CD | SG3 | 8.0° | 42.5° |
| HA | CA | CB | CG2 | 36.3° | 1.6° |
| HA | CA | N | CD | 134.0° | 88.9° |
| HA | CA | CB | CG1 | 86.4° | 124.4° |
| HA | CA | CB | SG3 | 152.7° | 116.9° |
| CA | CB | CG2 | CG1 | 125.2° | 122.8° |
| CA | CB | CG2 | SG3 | 112.5° | 114.1° |
| CB | CA | N | CD | 14.5° | 31.8° |
| CA | CB | CG1 | SG3 | 116.8° | 114.2° |
| CA | CB | CG1 | HG1 | 180.0° | 60.0° |
| CA | CB | CG1 | HG1A | 60.0° | 180.0° |
| CA | CB | CG1 | HG1B | 60.0° | 60.0° |
| CA | CB | CG2 | HG2 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2A | 60.0° | 179.9° |
| CA | CB | CG2 | HG2B | 60.0° | 60.0° |
| CA | CB | SG3 | CD | 32.3° | 18.4° |
| CG2 | CB | CG1 | SG3 | 121.6° | 123.0° |
| CG2 | CB | CG1 | HG1 | 58.4° | 62.9° |
| CG2 | CB | CG1 | HG1A | 178.4° | 57.2° |
| CG2 | CB | CG1 | HG1B | 61.6° | 177.1° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 119.9° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CG2 | CB | SG3 | CD | 82.9° | 100.2° |
| N | CD | HD | HDA | 121.3° | 124.3° |
| N | CD | HD | SG3 | 117.5° | 111.5° |
| N | CD | HDA | SG3 | 117.5° | 111.5° |
| N | CD | SG3 | CB | 24.0° | 34.6° |
| HD | CD | HDA | SG3 | 121.3° | 124.2° |
| HD | CD | SG3 | CB | 96.0° | 83.3° |
| HDA | CD | SG3 | CB | 144.0° | 152.6° |
| CB | CG1 | HG1 | HG1A | 120.0° | 120.0° |
| CB | CG1 | HG1 | HG1B | 120.0° | 120.0° |
| CB | CG1 | HG1A | HG1B | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG2 | 54.8° | 177.2° |
| CG1 | CB | CG2 | HG2A | 65.2° | 57.1° |
| CG1 | CB | CG2 | HG2B | 174.8° | 62.9° |
| CG1 | CB | SG3 | CD | 155.4° | 136.9° |
| HG1 | CG1 | HG1A | HG1B | 120.0° | 120.0° |
| HG1 | CG1 | CB | SG3 | 63.2° | 174.1° |
| HG1A | CG1 | CB | SG3 | 56.8° | 65.8° |
| HG1B | CG1 | CB | SG3 | 176.8° | 54.1° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| HG2 | CG2 | CB | SG3 | 67.5° | 54.1° |
| HG2A | CG2 | CB | SG3 | 172.5° | 66.0° |
| HG2B | CG2 | CB | SG3 | 52.5° | 174.1° |
