45W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| O48 | CG | sing | 1.43Å | 1.40Å | |
| O48 | C49 | sing | 1.35Å | 1.41Å | |
| CG | CD | sing | 1.54Å | 1.51Å | |
| CG | CB | sing | 1.54Å | 1.52Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C49 | C50 | trip | 1.17Å | 1.25Å | |
| CD | N | sing | 1.49Å | 1.46Å | |
| CB | CA | sing | 1.54Å | 1.51Å | |
| CA | N | sing | 1.49Å | 1.42Å | |
| C | OXT | sing | 1.34Å | 1.50Å | |
| CB | H1 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CD | H3 | sing | 1.09Å | 1.10Å | |
| CD | H4 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C50 | H9 | sing | 1.05Å | 1.06Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 114.1° | 120.0° |
| O | C | OXT | 115.1° | 120.0° |
| CG | O48 | C49 | 125.1° | 114.0° |
| O48 | CG | CD | 111.4° | 110.3° |
| O48 | CG | CB | 116.4° | 110.3° |
| O48 | CG | H6 | 109.5° | 110.4° |
| O48 | C49 | C50 | 174.6° | 180.0° |
| CD | CG | CB | 103.2° | 105.1° |
| CG | CD | N | 98.2° | 104.6° |
| CG | CD | H3 | 112.2° | 110.4° |
| CG | CD | H4 | 112.2° | 110.5° |
| CD | CG | H6 | 108.1° | 110.3° |
| CG | CB | CA | 104.7° | 105.0° |
| CG | CB | H1 | 110.7° | 110.4° |
| CG | CB | H7 | 110.6° | 110.4° |
| CB | CG | H6 | 107.9° | 110.3° |
| C | CA | CB | 109.7° | 110.4° |
| C | CA | N | 120.2° | 110.4° |
| CA | C | OXT | 130.8° | 120.0° |
| C | CA | HA | 110.8° | 110.4° |
| C49 | C50 | H9 | 180.0° | 180.0° |
| CD | N | CA | 112.4° | 104.2° |
| N | CD | H3 | 112.2° | 110.4° |
| N | CD | H4 | 112.2° | 110.4° |
| CD | N | H | 108.8° | 111.0° |
| CB | CA | N | 89.7° | 104.6° |
| CA | CB | H1 | 110.6° | 110.3° |
| CA | CB | H7 | 110.7° | 110.3° |
| CB | CA | HA | 111.5° | 110.4° |
| N | CA | HA | 112.9° | 110.5° |
| CA | N | H | 108.7° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | CB | H7 | 109.5° | 110.3° |
| H3 | CD | H4 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.8° | 180.0° |
| O | C | CA | CB | 20.2° | 100.0° |
| O | C | CA | N | 121.9° | 15.2° |
| O | C | CA | HA | 103.4° | 137.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O48 | CG | CD | CB | 125.6° | 118.9° |
| O48 | CG | CD | H6 | 120.3° | 122.2° |
| O48 | CG | CB | H6 | 123.5° | 122.2° |
| CG | O48 | C49 | C50 | 151.4° | 153.0° |
| O48 | CG | CD | N | 124.9° | 142.7° |
| O48 | CG | CB | CA | 154.4° | 119.0° |
| O48 | CG | CB | H1 | 86.3° | 0.0° |
| O48 | CG | CB | H7 | 35.2° | 122.2° |
| O48 | CG | CD | H3 | 6.8° | 23.9° |
| O48 | CG | CD | H4 | 117.0° | 98.4° |
| C49 | O48 | CG | CD | 50.3° | 91.5° |
| C49 | O48 | CG | CB | 67.5° | 152.9° |
| C49 | O48 | CG | H6 | 169.8° | 30.7° |
| O48 | C49 | C50 | H9 | 107.1° | 139.1° |
| CD | CG | CB | H6 | 114.2° | 118.9° |
| CG | CD | N | H3 | 118.1° | 118.8° |
| CG | CD | N | H4 | 118.1° | 118.9° |
| CD | CG | CB | CA | 32.2° | 0.0° |
| CG | CD | N | CA | 37.7° | 39.5° |
| CD | CG | CB | H1 | 151.4° | 118.9° |
| CD | CG | CB | H7 | 87.1° | 118.9° |
| CG | CD | H3 | H4 | 125.2° | 122.4° |
| CG | CD | N | H | 82.7° | 159.0° |
| CG | CB | CA | C | 72.6° | 142.6° |
| CB | CG | CD | N | 0.7° | 23.9° |
| CG | CB | CA | H1 | 119.2° | 118.9° |
| CG | CB | CA | H7 | 119.2° | 118.9° |
| CG | CB | CA | N | 49.6° | 23.8° |
| CG | CB | H1 | H7 | 122.2° | 122.3° |
| CB | CG | CD | H3 | 118.8° | 94.9° |
| CB | CG | CD | H4 | 117.4° | 142.7° |
| CG | CB | CA | HA | 164.2° | 95.1° |
| C | CA | N | CD | 57.5° | 158.3° |
| C | CA | CB | N | 122.2° | 118.8° |
| C | CA | CB | HA | 123.2° | 122.3° |
| C | CA | N | HA | 133.9° | 122.4° |
| C | CA | CB | H1 | 46.7° | 98.4° |
| C | CA | CB | H7 | 168.2° | 23.7° |
| C | CA | N | H | 177.9° | 82.2° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| CD | N | CA | CB | 55.3° | 39.5° |
| CD | N | CA | H | 120.5° | 119.5° |
| N | CD | H3 | H4 | 125.3° | 122.4° |
| CD | N | CA | HA | 168.6° | 79.3° |
| N | CD | CG | H6 | 114.8° | 95.0° |
| CB | CA | N | HA | 113.3° | 118.8° |
| CB | CA | C | OXT | 159.6° | 79.9° |
| CA | CB | H1 | H7 | 122.2° | 122.1° |
| CA | CB | CG | H6 | 82.1° | 118.9° |
| CB | CA | N | H | 65.2° | 159.0° |
| N | CA | C | OXT | 58.0° | 164.8° |
| N | CA | CB | H1 | 168.9° | 142.7° |
| N | CA | CB | H7 | 69.6° | 95.1° |
| CA | N | CD | H3 | 155.8° | 79.3° |
| CA | N | CD | H4 | 80.4° | 158.4° |
| OXT | C | CA | HA | 76.8° | 42.4° |
| H1 | CB | CA | HA | 76.5° | 23.9° |
| H1 | CB | CG | H6 | 37.2° | 122.2° |
| H7 | CB | CA | HA | 45.0° | 146.0° |
| H7 | CB | CG | H6 | 158.7° | 0.0° |
| H3 | CD | CG | H6 | 127.1° | 146.2° |
| H3 | CD | N | H | 35.4° | 40.2° |
| H4 | CD | CG | H6 | 3.3° | 23.8° |
| H4 | CD | N | H | 159.2° | 82.1° |
| HA | CA | N | H | 48.2° | 40.2° |
