TCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | C9 | sing | 1.47Å | 1.57Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.43Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD2 | sing | 1.45Å | 1.43Å | Aromatic |
| CG | CD1 | doub | 1.35Å | 1.33Å | Aromatic |
| CD2 | CE2 | doub | 1.42Å | 1.41Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.40Å | Aromatic |
| CE2 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.39Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CD1 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| CD1 | C9 | sing | 1.51Å | 1.66Å | |
| NE1 | HNE | sing | 0.97Å | 1.00Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.37Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.41Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | O1 | doub | 1.21Å | 1.26Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C9 | 99.5° | 111.4° |
| CA | N | HN | 112.9° | 111.0° |
| N | CA | CB | 111.4° | 109.5° |
| N | CA | C | 111.4° | 109.5° |
| N | CA | HA | 107.1° | 109.5° |
| C9 | N | HN | 112.9° | 111.0° |
| N | C9 | CD1 | 101.6° | 108.4° |
| N | C9 | H91 | 112.2° | 109.6° |
| N | C9 | H92 | 112.2° | 109.6° |
| CB | CA | C | 110.4° | 109.5° |
| CB | CA | HA | 108.1° | 109.4° |
| CA | CB | CG | 108.0° | 108.0° |
| CA | CB | HB1 | 109.9° | 109.7° |
| CA | CB | HB2 | 110.0° | 109.8° |
| C | CA | HA | 108.2° | 109.5° |
| CA | C | OXT | 118.3° | 120.1° |
| CA | C | O1 | 118.2° | 120.0° |
| CG | CB | HB1 | 110.0° | 109.7° |
| CG | CB | HB2 | 109.9° | 109.8° |
| CB | CG | CD2 | 128.5° | 129.4° |
| CB | CG | CD1 | 124.5° | 123.4° |
| HB1 | CB | HB2 | 109.0° | 109.8° |
| CD2 | CG | CD1 | 107.0° | 107.2° |
| CG | CD2 | CE2 | 106.7° | 106.0° |
| CG | CD2 | CE3 | 134.3° | 132.9° |
| CG | CD1 | NE1 | 110.9° | 109.8° |
| CG | CD1 | C9 | 122.0° | 123.0° |
| CE2 | CD2 | CE3 | 119.1° | 121.1° |
| CD2 | CE2 | NE1 | 107.3° | 107.3° |
| CD2 | CE2 | CZ2 | 122.5° | 120.6° |
| CD2 | CE3 | CZ3 | 118.5° | 117.0° |
| CD2 | CE3 | HE3 | 120.7° | 121.5° |
| NE1 | CE2 | CZ2 | 130.2° | 132.0° |
| CE2 | NE1 | CD1 | 108.1° | 109.7° |
| CE2 | NE1 | HNE | 126.0° | 125.1° |
| CE2 | CZ2 | CH2 | 117.3° | 117.0° |
| CE2 | CZ2 | HZ2 | 121.4° | 121.5° |
| CZ3 | CE3 | HE3 | 120.7° | 121.5° |
| CE3 | CZ3 | CH2 | 121.0° | 122.0° |
| CE3 | CZ3 | HZ3 | 119.5° | 119.0° |
| NE1 | CD1 | C9 | 125.5° | 127.2° |
| CD1 | NE1 | HNE | 125.9° | 125.2° |
| CD1 | C9 | H91 | 112.2° | 109.7° |
| CD1 | C9 | H92 | 112.2° | 109.6° |
| CH2 | CZ2 | HZ2 | 121.3° | 121.5° |
| CZ2 | CH2 | CZ3 | 121.6° | 122.3° |
| CZ2 | CH2 | HH2 | 119.2° | 118.9° |
| CH2 | CZ3 | HZ3 | 119.5° | 119.0° |
| CZ3 | CH2 | HH2 | 119.2° | 118.8° |
| H91 | C9 | H92 | 106.6° | 109.8° |
| OXT | C | O1 | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C9 | HN | 120.0° | 124.2° |
| N | CA | CB | C | 124.4° | 120.1° |
| N | CA | CB | HA | 117.4° | 120.0° |
| N | CA | C | HA | 117.4° | 120.0° |
| N | CA | CB | CG | 48.7° | 48.9° |
| N | CA | CB | HB1 | 168.7° | 70.7° |
| N | CA | CB | HB2 | 71.3° | 168.5° |
| CA | N | C9 | CD1 | 62.2° | 51.7° |
| CA | N | C9 | H91 | 177.8° | 68.1° |
| CA | N | C9 | H92 | 57.8° | 171.4° |
| N | CA | C | OXT | 168.5° | 160.0° |
| N | CA | C | O1 | 11.9° | 20.0° |
| C9 | N | CA | CB | 83.1° | 71.3° |
| C9 | N | CA | C | 40.7° | 168.6° |
| C9 | N | CA | HA | 158.8° | 48.6° |
| N | C9 | CD1 | CG | 22.7° | 16.7° |
| N | C9 | CD1 | NE1 | 142.2° | 163.2° |
| N | C9 | CD1 | H91 | 120.0° | 119.7° |
| N | C9 | CD1 | H92 | 120.0° | 119.7° |
| N | C9 | H91 | H92 | 123.2° | 120.5° |
| HN | N | CA | CB | 36.8° | 164.4° |
| HN | N | CA | C | 160.6° | 44.4° |
| HN | N | CA | HA | 81.2° | 75.6° |
| HN | N | C9 | CD1 | 57.8° | 175.9° |
| HN | N | C9 | H91 | 62.2° | 56.2° |
| HN | N | C9 | H92 | 177.8° | 64.4° |
| CB | CA | C | HA | 118.2° | 119.9° |
| CA | CB | CG | HB1 | 120.0° | 119.6° |
| CA | CB | CG | HB2 | 120.0° | 119.7° |
| CA | CB | HB1 | HB2 | 120.6° | 120.7° |
| CA | CB | CG | CD2 | 178.3° | 164.4° |
| CA | CB | CG | CD1 | 0.5° | 15.6° |
| CB | CA | C | OXT | 44.1° | 80.0° |
| CB | CA | C | O1 | 136.3° | 100.0° |
| C | CA | CB | CG | 75.7° | 168.9° |
| C | CA | CB | HB1 | 44.3° | 49.3° |
| C | CA | CB | HB2 | 164.3° | 71.4° |
| CA | C | OXT | O1 | 179.6° | 180.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| HA | CA | CB | CG | 166.1° | 71.1° |
| HA | CA | CB | HB1 | 73.9° | 169.3° |
| HA | CA | CB | HB2 | 46.1° | 48.6° |
| HA | CA | C | OXT | 74.1° | 39.9° |
| HA | CA | C | O1 | 105.5° | 140.0° |
| CG | CB | HB1 | HB2 | 120.6° | 120.7° |
| CB | CG | CD2 | CD1 | 179.0° | 180.0° |
| CB | CG | CD2 | CE2 | 178.5° | 179.9° |
| CB | CG | CD2 | CE3 | 2.1° | 0.1° |
| CB | CG | CD1 | NE1 | 178.1° | 179.8° |
| CB | CG | CD1 | C9 | 11.2° | 0.3° |
| HB1 | CB | CG | CD2 | 61.7° | 76.0° |
| HB1 | CB | CG | CD1 | 119.5° | 104.0° |
| HB2 | CB | CG | CD2 | 58.3° | 44.8° |
| HB2 | CB | CG | CD1 | 120.5° | 135.2° |
| CG | CD2 | CE2 | CE3 | 179.5° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.2° | 0.0° |
| CG | CD2 | CE2 | CZ2 | 179.4° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.3° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.7° | 0.0° |
| CD2 | CG | CD1 | NE1 | 1.0° | 0.2° |
| CD2 | CG | CD1 | C9 | 167.8° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.1° |
| CD1 | CG | CD2 | CE3 | 179.0° | 179.9° |
| CG | CD1 | NE1 | CE2 | 1.1° | 0.2° |
| CG | CD1 | NE1 | C9 | 166.3° | 179.9° |
| CG | CD1 | NE1 | HNE | 178.9° | 179.9° |
| CG | CD1 | C9 | H91 | 142.6° | 103.0° |
| CG | CD1 | C9 | H92 | 97.3° | 136.4° |
| CD2 | CE2 | NE1 | CZ2 | 179.6° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | CD1 | 0.8° | 0.1° |
| CD2 | CE2 | NE1 | HNE | 179.2° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.0° | 0.0° |
| CD2 | CE2 | CZ2 | HZ2 | 180.0° | 180.0° |
| CE3 | CD2 | CE2 | NE1 | 179.7° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.1° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.0° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | HNE | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | C9 | 167.4° | 179.7° |
| NE1 | CE2 | CZ2 | CH2 | 179.6° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.4° | 0.0° |
| CZ2 | CE2 | NE1 | CD1 | 178.8° | 179.9° |
| CZ2 | CE2 | NE1 | HNE | 1.2° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.0° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | HH2 | 179.9° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 180.0° | 180.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.0° | 0.0° |
| NE1 | CD1 | C9 | H91 | 22.2° | 77.1° |
| NE1 | CD1 | C9 | H92 | 97.8° | 43.5° |
| C9 | CD1 | NE1 | HNE | 12.6° | 0.2° |
| CD1 | C9 | H91 | H92 | 123.2° | 120.5° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.9° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.1° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.0° | 0.1° |
| O1 | C | OXT | HXT | 0.0° | 0.0° |
