TRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.34Å | 1.37Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.43Å | Aromatic |
| CD1 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | C1 | sing | 1.35Å | 1.34Å | |
| CE2 | CZ2 | doub | 1.39Å | 1.40Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.41Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.37Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.41Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.10Å | |
| CZ3 | CE3 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
| CE3 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.41Å | |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.5° | 106.7° |
| CA | N | H2 | 111.9° | 106.7° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | C | 108.7° | 109.4° |
| N | CA | HA | 109.3° | 109.4° |
| H | N | H2 | 111.8° | 106.7° |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 114.2° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CA | CB | HB3 | 110.4° | 109.4° |
| C | CA | HA | 110.3° | 109.5° |
| CA | C | O | 120.7° | 120.1° |
| CA | C | OXT | 115.8° | 119.9° |
| CG | CB | HB2 | 110.5° | 109.5° |
| CG | CB | HB3 | 110.5° | 109.5° |
| CB | CG | CD1 | 127.2° | 126.3° |
| CB | CG | CD2 | 126.6° | 126.4° |
| HB2 | CB | HB3 | 99.9° | 109.5° |
| CD1 | CG | CD2 | 106.2° | 107.2° |
| CG | CD1 | NE1 | 110.3° | 109.8° |
| CG | CD1 | HD1 | 124.8° | 125.1° |
| CG | CD2 | CE2 | 107.3° | 106.2° |
| CG | CD2 | CE3 | 134.0° | 133.9° |
| NE1 | CD1 | HD1 | 125.0° | 125.0° |
| CD1 | NE1 | CE2 | 108.8° | 109.7° |
| CD1 | NE1 | C1 | 125.1° | 125.2° |
| CE2 | NE1 | C1 | 125.6° | 125.2° |
| NE1 | CE2 | CZ2 | 130.1° | 133.4° |
| NE1 | CE2 | CD2 | 107.5° | 107.1° |
| NE1 | C1 | O1 | 111.5° | 120.0° |
| NE1 | C1 | HC1 | 122.0° | 120.0° |
| CZ2 | CE2 | CD2 | 122.5° | 119.5° |
| CE2 | CZ2 | CH2 | 117.5° | 119.9° |
| CE2 | CZ2 | HZ2 | 122.2° | 120.0° |
| CE2 | CD2 | CE3 | 118.7° | 119.9° |
| CH2 | CZ2 | HZ2 | 120.3° | 120.0° |
| CZ2 | CH2 | CZ3 | 121.4° | 120.6° |
| CZ2 | CH2 | HH2 | 118.1° | 119.7° |
| CZ3 | CH2 | HH2 | 120.5° | 119.7° |
| CH2 | CZ3 | CE3 | 121.0° | 120.4° |
| CH2 | CZ3 | HZ3 | 119.9° | 119.8° |
| CE3 | CZ3 | HZ3 | 119.1° | 119.8° |
| CZ3 | CE3 | CD2 | 118.9° | 119.7° |
| CZ3 | CE3 | HE3 | 120.3° | 120.1° |
| CD2 | CE3 | HE3 | 120.8° | 120.2° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 115.8° | 120.0° |
| O1 | C1 | HC1 | 126.5° | 119.9° |
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 | 119.6° | 119.9° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | C | HA | 119.8° | 120.0° |
| N | CA | CB | CG | 160.4° | 60.0° |
| N | CA | CB | HB2 | 35.1° | 60.0° |
| N | CA | CB | HB3 | 74.4° | 180.0° |
| N | CA | C | O | 138.7° | 29.9° |
| N | CA | C | OXT | 41.6° | 150.0° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | C | 60.0° | 173.7° |
| H | N | CA | HA | 60.5° | 66.3° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | C | 174.8° | 60.0° |
| H2 | N | CA | HA | 64.7° | 180.0° |
| CB | CA | C | HA | 119.5° | 120.1° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.3° | 120.0° |
| CA | CB | CG | CD1 | 22.1° | 90.0° |
| CA | CB | CG | CD2 | 156.2° | 90.2° |
| CB | CA | C | O | 100.6° | 90.0° |
| CB | CA | C | OXT | 79.1° | 90.1° |
| C | CA | CB | CG | 80.0° | 180.0° |
| C | CA | CB | HB2 | 154.7° | 60.0° |
| C | CA | CB | HB3 | 45.2° | 60.0° |
| CA | C | O | OXT | 179.7° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 40.5° | 59.9° |
| HA | CA | CB | HB2 | 84.7° | 179.9° |
| HA | CA | CB | HB3 | 165.7° | 60.1° |
| HA | CA | C | O | 18.9° | 149.9° |
| HA | CA | C | OXT | 161.5° | 30.0° |
| CG | CB | HB2 | HB3 | 116.4° | 120.0° |
| CB | CG | CD1 | CD2 | 178.5° | 179.8° |
| CB | CG | CD1 | NE1 | 178.1° | 180.0° |
| CB | CG | CD1 | HD1 | 1.9° | 0.1° |
| CB | CG | CD2 | CE2 | 178.2° | 179.9° |
| CB | CG | CD2 | CE3 | 1.5° | 0.6° |
| HB2 | CB | CG | CD1 | 147.3° | 30.0° |
| HB2 | CB | CG | CD2 | 30.9° | 149.8° |
| HB3 | CB | CG | CD1 | 103.1° | 150.0° |
| HB3 | CB | CG | CD2 | 78.6° | 29.8° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | NE1 | CE2 | 0.4° | 0.0° |
| CG | CD1 | NE1 | C1 | 172.3° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
| CD1 | CG | CD2 | CE3 | 179.9° | 179.5° |
| CD2 | CG | CD1 | NE1 | 0.5° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.3° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 179.9° |
| CG | CD2 | CE2 | CE3 | 179.8° | 179.4° |
| CG | CD2 | CE3 | CZ3 | 179.8° | 179.7° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.6° |
| CD1 | NE1 | CE2 | C1 | 172.6° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.8° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.1° | 0.2° |
| CD1 | NE1 | C1 | O1 | 141.0° | 0.1° |
| CD1 | NE1 | C1 | HC1 | 39.0° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.6° | 180.0° |
| HD1 | CD1 | NE1 | C1 | 7.7° | 0.0° |
| NE1 | CE2 | CZ2 | CD2 | 179.9° | 179.8° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.1° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.9° | 179.7° |
| CE2 | NE1 | C1 | O1 | 47.6° | 180.0° |
| CE2 | NE1 | C1 | HC1 | 132.5° | 0.0° |
| C1 | NE1 | CE2 | CZ2 | 7.6° | 0.1° |
| C1 | NE1 | CE2 | CD2 | 172.5° | 179.8° |
| NE1 | C1 | O1 | HC1 | 179.9° | 179.9° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.2° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.1° | 0.5° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.2° |
| CD2 | CE2 | CZ2 | HZ2 | 179.8° | 179.8° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.6° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 179.7° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 0.1° | 0.1° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.9° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.8° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.2° | 0.0° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | CD2 | 0.1° | 0.4° |
| CH2 | CZ3 | CE3 | HE3 | 179.9° | 179.9° |
| HH2 | CH2 | CZ3 | CE3 | 179.9° | 179.9° |
| HH2 | CH2 | CZ3 | HZ3 | 0.1° | 0.0° |
| CZ3 | CE3 | CD2 | HE3 | 180.0° | 179.7° |
| HZ3 | CZ3 | CE3 | CD2 | 179.9° | 179.7° |
| HZ3 | CZ3 | CE3 | HE3 | 0.0° | 0.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
