FOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.43Å | |
| 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 | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | SG | sing | 1.81Å | 1.76Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| SG | C1 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C6 | sing | 1.47Å | 1.51Å | |
| N4 | C10 | sing | 1.40Å | 1.34Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | F14 | sing | 1.35Å | 1.38Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 105.4° | 106.7° |
| CA | N | H2 | 113.7° | 106.6° |
| N | CA | C | 105.4° | 109.5° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | HA | 112.1° | 109.4° |
| H | N | H2 | 113.7° | 106.6° |
| C | CA | CB | 110.1° | 109.6° |
| C | CA | HA | 111.9° | 109.4° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 116.2° | 120.0° |
| CB | CA | HA | 107.6° | 109.4° |
| CA | CB | SG | 112.5° | 109.5° |
| CA | CB | HB2 | 111.1° | 109.4° |
| CA | CB | HB3 | 111.1° | 109.5° |
| O | C | OXT | 123.4° | 120.0° |
| C | OXT | HXT | 116.2° | 120.0° |
| SG | CB | HB2 | 111.1° | 109.4° |
| SG | CB | HB3 | 111.1° | 109.5° |
| CB | SG | C1 | 94.2° | 100.0° |
| HB2 | CB | HB3 | 99.2° | 109.4° |
| SG | C1 | C2 | 127.0° | 109.5° |
| SG | C1 | H11A | 106.0° | 109.5° |
| SG | C1 | H12A | 106.1° | 109.4° |
| C2 | C1 | H11A | 106.1° | 109.5° |
| C2 | C1 | H12A | 106.0° | 109.4° |
| C1 | C2 | O3 | 113.3° | 120.0° |
| C1 | C2 | N4 | 128.3° | 120.1° |
| H11A | C1 | H12A | 103.4° | 109.4° |
| O3 | C2 | N4 | 118.5° | 119.9° |
| C2 | N4 | C6 | 118.2° | 119.9° |
| C2 | N4 | C10 | 122.2° | 120.1° |
| C6 | N4 | C10 | 119.2° | 120.0° |
| N4 | C6 | C5 | 111.2° | 109.5° |
| N4 | C6 | C7 | 110.2° | 109.4° |
| N4 | C6 | H6 | 106.6° | 109.5° |
| N4 | C10 | C9 | 120.9° | 120.0° |
| N4 | C10 | C11 | 119.3° | 120.1° |
| C6 | C5 | H51 | 111.2° | 109.5° |
| C6 | C5 | H52 | 111.6° | 109.4° |
| C6 | C5 | H53 | 111.6° | 109.5° |
| C5 | C6 | C7 | 105.6° | 109.5° |
| C5 | C6 | H6 | 111.1° | 109.5° |
| H51 | C5 | H52 | 111.5° | 109.5° |
| H51 | C5 | H53 | 111.6° | 109.5° |
| H52 | C5 | H53 | 98.9° | 109.4° |
| C7 | C6 | H6 | 112.2° | 109.5° |
| C6 | C7 | H71 | 110.1° | 109.4° |
| C6 | C7 | H72 | 111.9° | 109.5° |
| C6 | C7 | H73 | 111.9° | 109.5° |
| H71 | C7 | H72 | 112.0° | 109.5° |
| H71 | C7 | H73 | 111.9° | 109.5° |
| H72 | C7 | H73 | 98.5° | 109.5° |
| C9 | C8 | C13 | 120.1° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.6° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C13 | C8 | H8 | 120.1° | 120.0° |
| C8 | C13 | C12 | 120.2° | 120.1° |
| C8 | C13 | F14 | 120.1° | 120.0° |
| C10 | C9 | H9 | 120.3° | 120.1° |
| C9 | C10 | C11 | 119.8° | 119.9° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C12 | C11 | H11 | 119.5° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | F14 | 119.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | C | CB | 118.4° | 120.1° |
| N | CA | C | HA | 122.0° | 119.9° |
| N | CA | CB | HA | 122.2° | 119.9° |
| N | CA | C | O | 51.4° | 30.1° |
| N | CA | C | OXT | 125.7° | 150.0° |
| N | CA | CB | SG | 149.1° | 60.0° |
| N | CA | CB | HB2 | 23.8° | 180.0° |
| N | CA | CB | HB3 | 85.7° | 60.1° |
| H | N | CA | C | 179.9° | 173.8° |
| H | N | CA | CB | 61.4° | 53.7° |
| H | N | CA | HA | 58.1° | 66.3° |
| H2 | N | CA | C | 54.8° | 60.1° |
| H2 | N | CA | CB | 63.8° | 60.0° |
| H2 | N | CA | HA | 176.7° | 180.0° |
| C | CA | CB | HA | 122.1° | 120.0° |
| CA | C | O | OXT | 176.9° | 179.9° |
| C | CA | CB | SG | 95.3° | 179.9° |
| C | CA | CB | HB2 | 139.4° | 60.0° |
| C | CA | CB | HB3 | 30.0° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB | CA | C | O | 67.0° | 90.0° |
| CB | CA | C | OXT | 115.9° | 90.0° |
| CA | CB | SG | HB2 | 125.3° | 120.0° |
| CA | CB | SG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 117.0° | 119.9° |
| CA | CB | SG | C1 | 108.2° | 180.0° |
| HA | CA | C | O | 173.4° | 150.0° |
| HA | CA | C | OXT | 3.6° | 30.1° |
| HA | CA | CB | SG | 26.8° | 59.9° |
| HA | CA | CB | HB2 | 98.5° | 60.1° |
| HA | CA | CB | HB3 | 152.1° | 180.0° |
| O | C | OXT | HXT | 3.0° | 0.0° |
| SG | CB | HB2 | HB3 | 116.9° | 120.0° |
| CB | SG | C1 | C2 | 176.8° | 179.9° |
| CB | SG | C1 | H11A | 51.5° | 60.0° |
| CB | SG | C1 | H12A | 58.0° | 60.0° |
| HB2 | CB | SG | C1 | 17.1° | 60.0° |
| HB3 | CB | SG | C1 | 126.5° | 60.0° |
| SG | C1 | C2 | H11A | 125.3° | 120.1° |
| SG | C1 | C2 | H12A | 125.3° | 120.0° |
| SG | C1 | H11A | H12A | 111.4° | 120.0° |
| SG | C1 | C2 | O3 | 177.3° | 5.1° |
| SG | C1 | C2 | N4 | 3.6° | 174.8° |
| C2 | C1 | H11A | H12A | 111.3° | 119.9° |
| C1 | C2 | O3 | N4 | 179.2° | 179.9° |
| C1 | C2 | N4 | C6 | 175.2° | 9.2° |
| C1 | C2 | N4 | C10 | 12.2° | 170.7° |
| H11A | C1 | C2 | O3 | 52.0° | 125.2° |
| H11A | C1 | C2 | N4 | 128.9° | 54.7° |
| H12A | C1 | C2 | O3 | 57.5° | 114.8° |
| H12A | C1 | C2 | N4 | 121.6° | 65.2° |
| O3 | C2 | N4 | C6 | 5.8° | 170.9° |
| O3 | C2 | N4 | C10 | 166.8° | 9.2° |
| C2 | N4 | C6 | C10 | 172.8° | 179.9° |
| C2 | N4 | C6 | C5 | 176.2° | 125.7° |
| C2 | N4 | C6 | C7 | 59.5° | 114.4° |
| C2 | N4 | C6 | H6 | 62.5° | 5.6° |
| C2 | N4 | C10 | C9 | 101.6° | 6.9° |
| C2 | N4 | C10 | C11 | 78.8° | 172.7° |
| N4 | C6 | C5 | C7 | 119.5° | 120.0° |
| N4 | C6 | C5 | H6 | 118.6° | 120.0° |
| N4 | C6 | C5 | H51 | 179.9° | 68.8° |
| N4 | C6 | C5 | H52 | 54.8° | 51.2° |
| N4 | C6 | C5 | H53 | 54.7° | 171.2° |
| N4 | C6 | C7 | H6 | 118.6° | 120.0° |
| N4 | C6 | C7 | H71 | 180.0° | 69.2° |
| N4 | C6 | C7 | H72 | 54.7° | 170.8° |
| N4 | C6 | C7 | H73 | 54.8° | 50.8° |
| C6 | N4 | C10 | C9 | 85.9° | 173.0° |
| C6 | N4 | C10 | C11 | 93.7° | 7.3° |
| C10 | N4 | C6 | C5 | 11.0° | 54.3° |
| C10 | N4 | C6 | C7 | 127.7° | 65.7° |
| C10 | N4 | C6 | H6 | 110.3° | 174.3° |
| N4 | C10 | C9 | C8 | 180.0° | 179.9° |
| N4 | C10 | C9 | C11 | 179.6° | 179.7° |
| N4 | C10 | C9 | H9 | 0.0° | 0.1° |
| N4 | C10 | C11 | C12 | 179.9° | 179.8° |
| N4 | C10 | C11 | H11 | 0.1° | 0.3° |
| C6 | C5 | H51 | H52 | 125.2° | 120.0° |
| C6 | C5 | H51 | H53 | 125.3° | 120.0° |
| C6 | C5 | H52 | H53 | 117.5° | 120.0° |
| C5 | C6 | C7 | H6 | 121.2° | 120.0° |
| C5 | C6 | C7 | H71 | 59.8° | 170.8° |
| C5 | C6 | C7 | H72 | 65.5° | 50.8° |
| C5 | C6 | C7 | H73 | 175.0° | 69.2° |
| H51 | C5 | H52 | H53 | 117.5° | 120.0° |
| H51 | C5 | C6 | C7 | 60.6° | 171.3° |
| H51 | C5 | C6 | H6 | 61.3° | 51.2° |
| H52 | C5 | C6 | C7 | 174.3° | 68.7° |
| H52 | C5 | C6 | H6 | 63.8° | 171.2° |
| H53 | C5 | C6 | C7 | 64.7° | 51.2° |
| H53 | C5 | C6 | H6 | 173.4° | 68.8° |
| C6 | C7 | H71 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H73 | 125.2° | 120.0° |
| C6 | C7 | H72 | H73 | 117.9° | 120.0° |
| H6 | C6 | C7 | H71 | 61.4° | 50.8° |
| H6 | C6 | C7 | H72 | 173.3° | 69.2° |
| H6 | C6 | C7 | H73 | 63.8° | 170.8° |
| H71 | C7 | H72 | H73 | 117.9° | 120.0° |
| C9 | C8 | C13 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.3° |
| C9 | C8 | C13 | C12 | 0.1° | 0.0° |
| C9 | C8 | C13 | F14 | 179.8° | 180.0° |
| C13 | C8 | C9 | C10 | 0.2° | 0.0° |
| C13 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.2° |
| C8 | C13 | C12 | F14 | 179.7° | 180.0° |
| C8 | C13 | C12 | H12 | 179.9° | 179.9° |
| H8 | C8 | C9 | C10 | 179.8° | 179.9° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| H8 | C8 | C13 | C12 | 179.9° | 179.9° |
| H8 | C8 | C13 | F14 | 0.2° | 0.1° |
| C9 | C10 | C11 | C12 | 0.4° | 0.5° |
| C9 | C10 | C11 | H11 | 179.6° | 179.9° |
| H9 | C9 | C10 | C11 | 179.6° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 0.3° | 0.5° |
| C10 | C11 | C12 | H12 | 179.7° | 179.6° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | F14 | 179.9° | 179.8° |
| H11 | C11 | C12 | C13 | 179.7° | 179.9° |
| H11 | C11 | C12 | H12 | 0.3° | 0.1° |
| H12 | C12 | C13 | F14 | 0.2° | 0.1° |
