FE3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| H2A | CA | sing | 1.09Å | 1.10Å | |
| CA | H1A | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | H2B | sing | 1.09Å | 1.10Å | |
| CB | H1B | sing | 1.09Å | 1.10Å | |
| CD1 | CG | doub | 1.38Å | 1.42Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.42Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.42Å | Aromatic |
| CD1 | CLD1 | sing | 1.74Å | 1.51Å | |
| CE2 | CD2 | doub | 1.38Å | 1.42Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| HE1 | CE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | doub | 1.40Å | 1.42Å | Aromatic |
| CZ | CE2 | sing | 1.40Å | 1.42Å | Aromatic |
| HE2 | CE2 | sing | 1.08Å | 1.08Å | |
| CF | CZ | sing | 1.48Å | 1.39Å | |
| OF1 | CF | doub | 1.21Å | 1.22Å | |
| CF | OF2 | sing | 1.35Å | 1.22Å | |
| OF2 | HOF2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HN | N | CA | 109.5° | 111.0° |
| HN | N | HNA | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | H2A | 111.1° | 109.5° |
| N | CA | H1A | 112.1° | 109.4° |
| N | CA | CB | 104.7° | 109.5° |
| H2A | CA | H1A | 105.8° | 109.5° |
| H2A | CA | CB | 111.1° | 109.5° |
| H1A | CA | CB | 112.1° | 109.5° |
| CA | CB | CG | 109.3° | 109.5° |
| CA | CB | H2B | 109.5° | 109.5° |
| CA | CB | H1B | 109.5° | 109.4° |
| CG | CB | H2B | 109.5° | 109.5° |
| CG | CB | H1B | 109.5° | 109.5° |
| CB | CG | CD1 | 120.0° | 119.8° |
| CB | CG | CD2 | 120.0° | 119.9° |
| H2B | CB | H1B | 109.4° | 109.5° |
| CD1 | CG | CD2 | 120.0° | 120.3° |
| CG | CD1 | CE1 | 119.9° | 120.1° |
| CG | CD1 | CLD1 | 120.1° | 120.0° |
| CG | CD2 | CE2 | 120.1° | 120.2° |
| CG | CD2 | HD2 | 120.0° | 119.9° |
| CE1 | CD1 | CLD1 | 120.0° | 119.9° |
| CD1 | CE1 | HE1 | 119.9° | 120.1° |
| CD1 | CE1 | CZ | 120.3° | 119.8° |
| CE2 | CD2 | HD2 | 120.0° | 119.9° |
| CD2 | CE2 | CZ | 120.2° | 119.9° |
| CD2 | CE2 | HE2 | 119.9° | 120.1° |
| HE1 | CE1 | CZ | 119.9° | 120.1° |
| CE1 | CZ | CE2 | 119.6° | 119.7° |
| CE1 | CZ | CF | 120.2° | 120.1° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CE2 | CZ | CF | 120.3° | 120.2° |
| CZ | CF | OF1 | 117.9° | 120.0° |
| CZ | CF | OF2 | 117.8° | 120.0° |
| OF1 | CF | OF2 | 123.1° | 120.0° |
| CF | OF2 | HOF2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HN | N | CA | HNA | 120.0° | 124.0° |
| HN | N | CA | H2A | 49.2° | 64.0° |
| HN | N | CA | H1A | 69.0° | 176.1° |
| HN | N | CA | CB | 169.2° | 56.0° |
| N | CA | H2A | H1A | 122.0° | 120.0° |
| N | CA | H2A | CB | 116.1° | 120.0° |
| N | CA | H1A | CB | 117.4° | 120.0° |
| N | CA | CB | CG | 66.9° | 180.0° |
| N | CA | CB | H2B | 173.1° | 60.0° |
| N | CA | CB | H1B | 53.2° | 60.0° |
| HNA | N | CA | H2A | 70.9° | 60.0° |
| HNA | N | CA | H1A | 170.9° | 60.0° |
| HNA | N | CA | CB | 49.1° | 180.0° |
| H2A | CA | H1A | CB | 121.3° | 120.0° |
| H2A | CA | CB | CG | 53.1° | 60.0° |
| H2A | CA | CB | H2B | 66.9° | 180.0° |
| H2A | CA | CB | H1B | 173.2° | 60.0° |
| H1A | CA | CB | CG | 171.3° | 60.0° |
| H1A | CA | CB | H2B | 51.3° | 60.0° |
| H1A | CA | CB | H1B | 68.7° | 180.0° |
| CA | CB | CG | H2B | 120.0° | 120.0° |
| CA | CB | CG | H1B | 120.0° | 120.0° |
| CA | CB | H2B | H1B | 120.1° | 120.0° |
| CA | CB | CG | CD1 | 86.2° | 85.0° |
| CA | CB | CG | CD2 | 93.7° | 95.3° |
| CG | CB | H2B | H1B | 120.1° | 120.0° |
| CB | CG | CD1 | CD2 | 179.9° | 179.7° |
| CB | CG | CD1 | CE1 | 180.0° | 180.0° |
| CB | CG | CD1 | CLD1 | 0.1° | 0.1° |
| CB | CG | CD2 | CE2 | 180.0° | 180.0° |
| CB | CG | CD2 | HD2 | 0.0° | 0.0° |
| H2B | CB | CG | CD1 | 153.8° | 155.0° |
| H2B | CB | CG | CD2 | 26.3° | 24.7° |
| H1B | CB | CG | CD1 | 33.8° | 34.9° |
| H1B | CB | CG | CD2 | 146.2° | 144.7° |
| CG | CD1 | CE1 | CLD1 | 179.9° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.3° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.1° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG | CD1 | CLD1 | 180.0° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CG | CD2 | CE2 | HE2 | 180.0° | 180.0° |
| CD1 | CE1 | HE1 | CZ | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.2° |
| CD1 | CE1 | CZ | CF | 179.7° | 180.0° |
| CLD1 | CD1 | CE1 | HE1 | 0.0° | 0.1° |
| CLD1 | CD1 | CE1 | CZ | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CF | 179.7° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.0° |
| HE1 | CE1 | CZ | CE2 | 180.0° | 179.7° |
| HE1 | CE1 | CZ | CF | 0.3° | 0.1° |
| CE1 | CZ | CE2 | CF | 179.7° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| CE1 | CZ | CF | OF1 | 179.7° | 0.0° |
| CE1 | CZ | CF | OF2 | 12.7° | 179.9° |
| CE2 | CZ | CF | OF1 | 0.6° | 179.7° |
| CE2 | CZ | CF | OF2 | 167.0° | 0.3° |
| HE2 | CE2 | CZ | CF | 0.3° | 0.0° |
| CZ | CF | OF1 | OF2 | 166.9° | 179.9° |
| CZ | CF | OF2 | HOF2 | 166.9° | 180.0° |
| OF1 | CF | OF2 | HOF2 | 0.0° | 0.1° |
