FTR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD2 | sing | 1.46Å | 1.43Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.40Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.38Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE3 | CZ3 | doub | 1.38Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.10Å | |
| CD1 | NE1 | sing | 1.37Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| NE1 | HE1 | sing | 0.97Å | 1.02Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| CZ3 | F | sing | 1.35Å | 1.34Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 113.2° | 106.7° |
| CA | N | H2 | 110.9° | 106.7° |
| N | CA | CB | 113.2° | 109.5° |
| N | CA | C | 104.6° | 109.5° |
| N | CA | HA | 110.3° | 109.5° |
| H | N | H2 | 110.8° | 106.7° |
| CB | CA | C | 109.6° | 109.5° |
| CB | CA | HA | 105.4° | 109.4° |
| CA | CB | CG | 114.1° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.4° |
| CA | CB | HB3 | 110.5° | 109.5° |
| C | CA | HA | 113.9° | 109.5° |
| CA | C | O | 123.0° | 120.0° |
| CA | C | OXT | 114.2° | 120.0° |
| CG | CB | HB2 | 110.5° | 109.5° |
| CG | CB | HB3 | 110.5° | 109.5° |
| CB | CG | CD2 | 127.3° | 126.5° |
| CB | CG | CD1 | 127.0° | 126.5° |
| HB2 | CB | HB3 | 99.8° | 109.4° |
| CD2 | CG | CD1 | 105.7° | 107.1° |
| CG | CD2 | CE2 | 108.3° | 106.0° |
| CG | CD2 | CE3 | 133.7° | 134.0° |
| CG | CD1 | NE1 | 110.0° | 109.9° |
| CG | CD1 | HD1 | 124.5° | 125.1° |
| CE2 | CD2 | CE3 | 118.0° | 120.0° |
| CD2 | CE2 | NE1 | 106.5° | 107.1° |
| CD2 | CE2 | CZ2 | 121.8° | 119.4° |
| CD2 | CE3 | CZ3 | 120.6° | 119.7° |
| CD2 | CE3 | HE3 | 119.7° | 120.2° |
| NE1 | CE2 | CZ2 | 131.1° | 133.4° |
| CE2 | NE1 | CD1 | 109.4° | 109.9° |
| CE2 | NE1 | HE1 | 125.1° | 125.0° |
| CE2 | CZ2 | CH2 | 119.0° | 120.0° |
| CE2 | CZ2 | HZ2 | 121.4° | 120.0° |
| CZ3 | CE3 | HE3 | 119.7° | 120.2° |
| CE3 | CZ3 | F | 117.8° | 119.8° |
| CE3 | CZ3 | CH2 | 121.5° | 120.3° |
| NE1 | CD1 | HD1 | 125.5° | 125.0° |
| CD1 | NE1 | HE1 | 125.6° | 125.1° |
| CH2 | CZ2 | HZ2 | 119.6° | 120.0° |
| CZ2 | CH2 | CZ3 | 119.1° | 120.6° |
| CZ2 | CH2 | HH2 | 119.8° | 119.7° |
| F | CZ3 | CH2 | 120.8° | 119.8° |
| CZ3 | CH2 | HH2 | 121.2° | 119.7° |
| O | C | OXT | 122.6° | 120.0° |
| C | OXT | HXT | 114.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | CB | C | 116.4° | 120.0° |
| N | CA | CB | HA | 120.6° | 120.0° |
| N | CA | C | HA | 120.5° | 120.0° |
| N | CA | CB | CG | 66.5° | 60.0° |
| N | CA | CB | HB2 | 58.7° | 60.0° |
| N | CA | CB | HB3 | 168.2° | 180.0° |
| N | CA | C | O | 8.4° | 30.0° |
| N | CA | C | OXT | 177.0° | 149.9° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 60.7° | 173.8° |
| H | N | CA | HA | 62.1° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | C | 174.0° | 60.0° |
| H2 | N | CA | HA | 63.1° | 180.0° |
| CB | CA | C | HA | 117.8° | 119.9° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 116.4° | 120.0° |
| CA | CB | CG | CD2 | 79.3° | 90.3° |
| CA | CB | CG | CD1 | 99.9° | 89.9° |
| CB | CA | C | O | 113.3° | 90.1° |
| CB | CA | C | OXT | 61.3° | 90.0° |
| C | CA | CB | CG | 177.1° | 180.0° |
| C | CA | CB | HB2 | 57.7° | 60.0° |
| C | CA | CB | HB3 | 51.8° | 59.9° |
| CA | C | O | OXT | 174.1° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 54.1° | 60.0° |
| HA | CA | CB | HB2 | 179.4° | 180.0° |
| HA | CA | CB | HB3 | 71.2° | 60.0° |
| HA | CA | C | O | 128.9° | 150.0° |
| HA | CA | C | OXT | 56.5° | 29.9° |
| CG | CB | HB2 | HB3 | 116.4° | 120.0° |
| CB | CG | CD2 | CD1 | 179.3° | 179.8° |
| CB | CG | CD2 | CE2 | 179.7° | 179.9° |
| CB | CG | CD2 | CE3 | 1.1° | 0.6° |
| CB | CG | CD1 | NE1 | 177.8° | 180.0° |
| CB | CG | CD1 | HD1 | 2.1° | 0.0° |
| HB2 | CB | CG | CD2 | 155.5° | 149.8° |
| HB2 | CB | CG | CD1 | 25.3° | 30.0° |
| HB3 | CB | CG | CD2 | 46.0° | 29.8° |
| HB3 | CB | CG | CD1 | 134.8° | 150.0° |
| CG | CD2 | CE2 | CE3 | 179.3° | 179.5° |
| CG | CD2 | CE2 | NE1 | 3.0° | 0.2° |
| CG | CD2 | CE2 | CZ2 | 174.4° | 179.8° |
| CG | CD2 | CE3 | CZ3 | 175.3° | 179.7° |
| CG | CD2 | CE3 | HE3 | 4.7° | 0.5° |
| CD2 | CG | CD1 | NE1 | 1.5° | 0.2° |
| CD2 | CG | CD1 | HD1 | 178.5° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.9° | 0.3° |
| CD1 | CG | CD2 | CE3 | 178.2° | 179.6° |
| CG | CD1 | NE1 | CE2 | 3.5° | 0.0° |
| CG | CD1 | NE1 | HD1 | 179.9° | 180.0° |
| CG | CD1 | NE1 | HE1 | 176.4° | 179.9° |
| CD2 | CE2 | NE1 | CZ2 | 170.3° | 179.9° |
| CE2 | CD2 | CE3 | CZ3 | 3.8° | 0.4° |
| CE2 | CD2 | CE3 | HE3 | 176.2° | 179.8° |
| CD2 | CE2 | NE1 | CD1 | 4.0° | 0.1° |
| CD2 | CE2 | NE1 | HE1 | 176.0° | 179.7° |
| CD2 | CE2 | CZ2 | CH2 | 2.6° | 0.1° |
| CD2 | CE2 | CZ2 | HZ2 | 177.4° | 179.8° |
| CE3 | CD2 | CE2 | NE1 | 176.3° | 179.7° |
| CE3 | CD2 | CE2 | CZ2 | 4.8° | 0.4° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.8° |
| CD2 | CE3 | CZ3 | F | 178.9° | 179.8° |
| CD2 | CE3 | CZ3 | CH2 | 0.6° | 0.2° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | HD1 | 176.5° | 179.9° |
| NE1 | CE2 | CZ2 | CH2 | 171.7° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 8.3° | 0.1° |
| CZ2 | CE2 | NE1 | CD1 | 174.3° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 5.7° | 0.2° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.8° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 179.2° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 1.8° | 0.0° |
| CE3 | CZ3 | F | CH2 | 179.5° | 179.9° |
| CE3 | CZ3 | CH2 | HH2 | 178.2° | 180.0° |
| HE3 | CE3 | CZ3 | F | 1.0° | 0.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.4° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 3.5° | 0.1° |
| CZ2 | CH2 | CZ3 | F | 178.7° | 179.9° |
| CZ2 | CH2 | CZ3 | HH2 | 179.9° | 179.9° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.2° | 179.9° |
| HZ2 | CZ2 | CH2 | HH2 | 0.8° | 0.0° |
| F | CZ3 | CH2 | HH2 | 1.3° | 0.0° |
| O | C | OXT | HXT | 5.5° | 0.1° |
