45F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C51 | C50 | trip | 1.17Å | 1.23Å | |
| O | C | doub | 1.21Å | 1.20Å | |
| C50 | C49 | sing | 1.47Å | 1.52Å | |
| N | CD | sing | 1.49Å | 1.44Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| O48 | C49 | sing | 1.43Å | 1.43Å | |
| O48 | CG | sing | 1.43Å | 1.41Å | |
| CD | CG | sing | 1.55Å | 1.47Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.54Å | 1.52Å | |
| CG | CB | sing | 1.55Å | 1.51Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.05Å | 1.06Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 56.88Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C50 | C49 | 176.1° | 179.9° |
| C50 | C51 | H51 | 180.0° | 179.9° |
| O | C | CA | 112.8° | 120.0° |
| O | C | OXT | 93.4° | 120.0° |
| C50 | C49 | O48 | 116.0° | 109.5° |
| C50 | C49 | H49 | 107.8° | 109.5° |
| C50 | C49 | H50 | 107.8° | 109.5° |
| CD | N | CA | 110.6° | 108.4° |
| N | CD | CG | 102.9° | 104.7° |
| N | CD | HD2 | 111.1° | 110.3° |
| N | CD | HD3 | 111.1° | 110.5° |
| CD | N | H | 109.2° | 111.0° |
| N | CA | C | 110.9° | 109.8° |
| N | CA | CB | 100.6° | 107.3° |
| N | CA | HA | 108.3° | 110.0° |
| CA | N | H | 109.2° | 111.2° |
| C49 | O48 | CG | 121.6° | 114.1° |
| O48 | C49 | H49 | 107.8° | 109.4° |
| O48 | C49 | H50 | 107.8° | 109.4° |
| O48 | CG | CD | 109.5° | 111.0° |
| O48 | CG | CB | 115.1° | 111.1° |
| O48 | CG | HG2 | 108.8° | 110.9° |
| CD | CG | CB | 107.4° | 101.6° |
| CG | CD | HD2 | 111.1° | 110.4° |
| CG | CD | HD3 | 111.1° | 110.4° |
| CD | CG | HG2 | 108.2° | 111.0° |
| C | CA | CB | 121.9° | 109.9° |
| C | CA | HA | 107.2° | 109.9° |
| CA | C | OXT | 39.2° | 120.0° |
| CA | CB | CG | 106.2° | 103.2° |
| CA | CB | HB3 | 110.3° | 110.7° |
| CA | CB | HB2 | 110.3° | 110.7° |
| CB | CA | HA | 107.3° | 110.0° |
| CG | CB | HB3 | 110.3° | 110.7° |
| CG | CB | HB2 | 110.3° | 110.7° |
| CB | CG | HG2 | 107.6° | 111.0° |
| HB3 | CB | HB2 | 109.4° | 110.7° |
| HD2 | CD | HD3 | 109.5° | 110.4° |
| H49 | C49 | H50 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C50 | C49 | O48 | 98.1° | 113.3° |
| C51 | C50 | C49 | H49 | 140.9° | 6.7° |
| C51 | C50 | C49 | H50 | 22.8° | 126.7° |
| O | C | CA | N | 38.9° | 17.8° |
| O | C | CA | OXT | 65.5° | 180.0° |
| O | C | CA | CB | 79.1° | 100.0° |
| O | C | CA | HA | 156.9° | 138.9° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C50 | C49 | O48 | H49 | 121.0° | 120.1° |
| C50 | C49 | O48 | H50 | 120.9° | 120.1° |
| C50 | C49 | O48 | CG | 172.5° | 180.0° |
| C50 | C49 | H49 | H50 | 117.0° | 120.1° |
| C49 | C50 | C51 | H51 | 65.0° | 130.0° |
| CD | N | CA | H | 120.1° | 122.3° |
| N | CD | CG | O48 | 105.7° | 155.2° |
| N | CD | CG | HD2 | 118.9° | 118.8° |
| N | CD | CG | HD3 | 119.0° | 119.0° |
| CD | N | CA | C | 165.0° | 118.5° |
| CD | N | CA | CB | 34.7° | 0.9° |
| N | CD | CG | CB | 19.9° | 37.0° |
| N | CD | HD2 | HD3 | 123.1° | 122.4° |
| CD | N | CA | HA | 77.7° | 120.4° |
| N | CD | CG | HG2 | 135.8° | 81.0° |
| CA | N | CD | CG | 35.2° | 24.0° |
| N | CA | C | CB | 118.0° | 117.8° |
| N | CA | C | HA | 118.0° | 121.1° |
| N | CA | CB | HA | 113.1° | 119.6° |
| N | CA | CB | CG | 20.0° | 22.4° |
| N | CA | CB | HB3 | 99.5° | 96.1° |
| N | CA | CB | HB2 | 139.5° | 140.9° |
| CA | N | CD | HD2 | 83.7° | 94.8° |
| CA | N | CD | HD3 | 154.2° | 142.9° |
| N | CA | C | OXT | 26.6° | 162.2° |
| C49 | O48 | CG | CD | 149.2° | 91.5° |
| C49 | O48 | CG | CB | 89.7° | 156.3° |
| C49 | O48 | CG | HG2 | 31.2° | 32.4° |
| O48 | C49 | H49 | H50 | 117.0° | 119.9° |
| O48 | CG | CD | CB | 125.6° | 118.2° |
| O48 | CG | CD | HG2 | 118.5° | 123.8° |
| O48 | CG | CB | CA | 122.5° | 153.9° |
| O48 | CG | CB | HG2 | 121.5° | 123.8° |
| O48 | CG | CB | HB3 | 3.0° | 35.4° |
| O48 | CG | CB | HB2 | 118.0° | 87.7° |
| O48 | CG | CD | HD2 | 135.4° | 36.4° |
| O48 | CG | CD | HD3 | 13.3° | 85.8° |
| CG | O48 | C49 | H49 | 51.5° | 59.9° |
| CG | O48 | C49 | H50 | 66.6° | 59.9° |
| CD | CG | CB | CA | 0.3° | 35.8° |
| CD | CG | CB | HG2 | 116.3° | 118.1° |
| CD | CG | CB | HB3 | 119.2° | 82.7° |
| CD | CG | CB | HB2 | 119.8° | 154.2° |
| CG | CD | HD2 | HD3 | 123.0° | 122.3° |
| CG | CD | N | H | 84.9° | 146.4° |
| C | CA | CB | HA | 123.9° | 121.0° |
| C | CA | CB | CG | 143.0° | 141.8° |
| C | CA | CB | HB3 | 23.5° | 23.3° |
| C | CA | CB | HB2 | 97.5° | 99.8° |
| C | CA | N | H | 44.9° | 3.8° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CA | CB | CG | HB3 | 119.5° | 118.5° |
| CA | CB | CG | HB2 | 119.5° | 118.4° |
| CA | CB | HB3 | HB2 | 121.5° | 123.1° |
| CA | CB | CG | HG2 | 116.0° | 82.3° |
| CB | CA | N | H | 85.4° | 123.2° |
| CB | CA | C | OXT | 144.6° | 80.0° |
| CG | CB | HB3 | HB2 | 121.5° | 123.1° |
| CB | CG | CD | HD2 | 99.1° | 81.7° |
| CB | CG | CD | HD3 | 138.8° | 156.0° |
| CG | CB | CA | HA | 93.1° | 97.2° |
| HB3 | CB | CA | HA | 147.4° | 144.3° |
| HB3 | CB | CG | HG2 | 124.5° | 159.2° |
| HB2 | CB | CA | HA | 26.4° | 21.3° |
| HB2 | CB | CG | HG2 | 3.5° | 36.2° |
| HD2 | CD | CG | HG2 | 16.9° | 160.2° |
| HD2 | CD | N | H | 156.2° | 27.6° |
| HD3 | CD | CG | HG2 | 105.2° | 38.0° |
| HD3 | CD | N | H | 34.0° | 94.7° |
| HA | CA | N | H | 162.2° | 117.3° |
| HA | CA | C | OXT | 91.3° | 41.1° |
