FLE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.36Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C2 | O3 | doub | 1.22Å | 1.27Å | |
| C2 | C4 | sing | 1.47Å | 1.37Å | |
| C4 | O8 | sing | 1.35Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| O8 | C7 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.35Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C2 | 119.7° | 120.0° |
| CA | N | H | 120.2° | 120.0° |
| N | CA | CB | 111.9° | 109.5° |
| N | CA | C | 109.6° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| C2 | N | H | 120.2° | 120.0° |
| N | C2 | O3 | 120.4° | 120.0° |
| N | C2 | C4 | 119.7° | 120.0° |
| CB | CA | C | 110.0° | 109.5° |
| CB | CA | HA | 107.4° | 109.5° |
| CA | CB | CG | 123.6° | 109.4° |
| CA | CB | HB2 | 105.0° | 109.5° |
| CA | CB | HB3 | 105.0° | 109.5° |
| C | CA | HA | 109.9° | 109.5° |
| CA | C | OXT | 115.7° | 120.0° |
| CA | C | O | 121.1° | 120.0° |
| CG | CB | HB2 | 105.0° | 109.4° |
| CG | CB | HB3 | 105.0° | 109.5° |
| CB | CG | CD1 | 108.7° | 109.4° |
| CB | CG | CD2 | 111.4° | 109.4° |
| CB | CG | HG | 109.1° | 109.5° |
| HB2 | CB | HB3 | 113.5° | 109.5° |
| CD1 | CG | CD2 | 110.7° | 109.5° |
| CD1 | CG | HG | 109.8° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.4° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 107.0° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.5° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.5° | 109.4° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.5° |
| HD22 | CD2 | HD23 | 109.5° | 109.4° |
| OXT | C | O | 123.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O3 | C2 | C4 | 119.7° | 120.0° |
| C2 | C4 | O8 | 124.8° | 126.0° |
| C2 | C4 | C5 | 125.2° | 126.0° |
| O8 | C4 | C5 | 110.1° | 108.0° |
| C4 | O8 | C7 | 107.2° | 109.4° |
| C4 | C5 | C6 | 107.3° | 106.7° |
| C4 | C5 | H5 | 126.3° | 126.6° |
| O8 | C7 | C6 | 107.9° | 108.8° |
| O8 | C7 | H7 | 126.0° | 125.6° |
| C6 | C5 | H5 | 126.3° | 126.7° |
| C5 | C6 | C7 | 107.5° | 107.1° |
| C5 | C6 | H6 | 126.3° | 126.4° |
| C7 | C6 | H6 | 126.2° | 126.4° |
| C6 | C7 | H7 | 126.0° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C2 | H | 180.0° | 179.7° |
| N | CA | CB | C | 122.1° | 120.0° |
| N | CA | CB | HA | 118.3° | 120.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 5.4° | 65.0° |
| N | CA | CB | HB2 | 125.4° | 54.9° |
| N | CA | CB | HB3 | 114.6° | 175.0° |
| N | CA | C | OXT | 134.9° | 180.0° |
| N | CA | C | O | 44.6° | 0.0° |
| CA | N | C2 | O3 | 21.6° | 0.0° |
| CA | N | C2 | C4 | 163.2° | 180.0° |
| C2 | N | CA | CB | 165.4° | 155.0° |
| C2 | N | CA | C | 72.3° | 85.0° |
| C2 | N | CA | HA | 47.4° | 35.0° |
| N | C2 | O3 | C4 | 175.1° | 180.0° |
| N | C2 | C4 | O8 | 163.5° | 0.0° |
| N | C2 | C4 | C5 | 16.3° | 179.7° |
| H | N | CA | CB | 14.6° | 25.3° |
| H | N | CA | C | 107.7° | 94.7° |
| H | N | CA | HA | 132.6° | 145.3° |
| H | N | C2 | O3 | 158.4° | 179.7° |
| H | N | C2 | C4 | 16.8° | 0.3° |
| CB | CA | C | HA | 118.1° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 119.9° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 114.1° | 120.0° |
| CA | CB | CG | CD1 | 170.0° | 175.0° |
| CA | CB | CG | CD2 | 67.7° | 65.1° |
| CA | CB | CG | HG | 50.2° | 55.0° |
| CB | CA | C | OXT | 101.6° | 60.0° |
| CB | CA | C | O | 78.9° | 120.0° |
| C | CA | CB | CG | 116.7° | 175.0° |
| C | CA | CB | HB2 | 3.3° | 65.1° |
| C | CA | CB | HB3 | 123.3° | 55.0° |
| CA | C | OXT | O | 179.5° | 180.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| HA | CA | CB | CG | 123.7° | 55.0° |
| HA | CA | CB | HB2 | 116.3° | 174.9° |
| HA | CA | CB | HB3 | 3.7° | 65.0° |
| HA | CA | C | OXT | 16.5° | 60.0° |
| HA | CA | C | O | 163.0° | 120.0° |
| CG | CB | HB2 | HB3 | 114.2° | 120.1° |
| CB | CG | CD1 | CD2 | 122.7° | 119.9° |
| CB | CG | CD1 | HG | 119.3° | 120.0° |
| CB | CG | CD2 | HG | 119.2° | 120.0° |
| CB | CG | CD1 | HD11 | 180.0° | 60.0° |
| CB | CG | CD1 | HD12 | 60.0° | 179.9° |
| CB | CG | CD1 | HD13 | 60.0° | 60.0° |
| CB | CG | CD2 | HD21 | 180.0° | 60.1° |
| CB | CG | CD2 | HD22 | 60.0° | 180.0° |
| CB | CG | CD2 | HD23 | 60.0° | 60.0° |
| HB2 | CB | CG | CD1 | 50.0° | 55.0° |
| HB2 | CB | CG | CD2 | 172.3° | 175.0° |
| HB2 | CB | CG | HG | 69.8° | 64.9° |
| HB3 | CB | CG | CD1 | 70.0° | 65.0° |
| HB3 | CB | CG | CD2 | 52.3° | 55.0° |
| HB3 | CB | CG | HG | 170.2° | 175.0° |
| CD1 | CG | CD2 | HG | 119.7° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 119.9° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.1° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.1° |
| CD1 | CG | CD2 | HD21 | 58.8° | 180.0° |
| CD1 | CG | CD2 | HD22 | 61.2° | 60.0° |
| CD1 | CG | CD2 | HD23 | 178.9° | 59.9° |
| CD2 | CG | CD1 | HD11 | 57.3° | 59.9° |
| CD2 | CG | CD1 | HD12 | 177.3° | 60.0° |
| CD2 | CG | CD1 | HD13 | 62.7° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.1° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 60.7° | 180.0° |
| HG | CG | CD1 | HD12 | 59.3° | 60.1° |
| HG | CG | CD1 | HD13 | 179.3° | 60.0° |
| HG | CG | CD2 | HD21 | 60.8° | 60.0° |
| HG | CG | CD2 | HD22 | 179.2° | 60.0° |
| HG | CG | CD2 | HD23 | 59.2° | 180.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O3 | C2 | C4 | O8 | 21.3° | 180.0° |
| O3 | C2 | C4 | C5 | 158.8° | 0.3° |
| C2 | C4 | O8 | C5 | 179.9° | 179.7° |
| C2 | C4 | O8 | C7 | 179.8° | 180.0° |
| C2 | C4 | C5 | C6 | 179.8° | 180.0° |
| C2 | C4 | C5 | H5 | 0.2° | 0.1° |
| O8 | C4 | C5 | C6 | 0.0° | 0.3° |
| O8 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | O8 | C7 | C6 | 0.0° | 0.2° |
| C4 | O8 | C7 | H7 | 180.0° | 180.0° |
| C5 | C4 | O8 | C7 | 0.0° | 0.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| O8 | C7 | C6 | C5 | 0.0° | 0.0° |
| O8 | C7 | C6 | H7 | 180.0° | 179.8° |
| O8 | C7 | C6 | H6 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 179.8° |
| H5 | C5 | C6 | C7 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
