TSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | doub | 1.28Å | 1.31Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.08Å | 1.08Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD2 | sing | 1.46Å | 1.39Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.39Å | Aromatic |
| CD2 | CE3 | doub | 1.40Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.41Å | 1.40Å | Aromatic |
| CE3 | CZ3 | sing | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | CH2 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CE2 | NE1 | sing | 1.38Å | 1.35Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN | 109.0° | 119.9° |
| N | CA | CB | 123.1° | 119.9° |
| N | CA | HA | 118.5° | 120.0° |
| CB | CA | HA | 118.5° | 120.1° |
| CA | CB | CG | 109.3° | 109.5° |
| CA | CB | HB1 | 109.6° | 109.4° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CG | CB | HB1 | 109.5° | 109.4° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CB | CG | CD2 | 127.8° | 126.5° |
| CB | CG | CD1 | 126.5° | 126.5° |
| HB1 | CB | HB2 | 109.3° | 109.5° |
| CD2 | CG | CD1 | 105.7° | 107.0° |
| CG | CD2 | CE3 | 130.2° | 134.1° |
| CG | CD2 | CE2 | 108.4° | 106.0° |
| CG | CD1 | NE1 | 109.1° | 110.0° |
| CG | CD1 | HD1 | 125.4° | 125.0° |
| CE3 | CD2 | CE2 | 121.3° | 119.9° |
| CD2 | CE3 | CZ3 | 118.4° | 119.8° |
| CD2 | CE3 | HE3 | 120.8° | 120.1° |
| CD2 | CE2 | CZ2 | 120.0° | 119.3° |
| CD2 | CE2 | NE1 | 107.5° | 107.2° |
| CZ3 | CE3 | HE3 | 120.8° | 120.1° |
| CE3 | CZ3 | CH2 | 120.6° | 120.5° |
| CE3 | CZ3 | HZ3 | 119.7° | 119.8° |
| CH2 | CZ3 | HZ3 | 119.7° | 119.7° |
| CZ3 | CH2 | CZ2 | 120.2° | 120.6° |
| CZ3 | CH2 | HH2 | 119.9° | 119.7° |
| CZ2 | CH2 | HH2 | 119.9° | 119.7° |
| CH2 | CZ2 | CE2 | 119.4° | 119.8° |
| CH2 | CZ2 | HZ2 | 120.3° | 120.1° |
| CE2 | CZ2 | HZ2 | 120.3° | 120.1° |
| CZ2 | CE2 | NE1 | 132.5° | 133.5° |
| CE2 | NE1 | CD1 | 109.3° | 109.9° |
| CE2 | NE1 | HE1 | 125.4° | 125.0° |
| CD1 | NE1 | HE1 | 125.3° | 125.1° |
| NE1 | CD1 | HD1 | 125.5° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | HA | 180.0° | 180.0° |
| N | CA | CB | CG | 170.9° | 125.0° |
| N | CA | CB | HB1 | 69.1° | 115.0° |
| N | CA | CB | HB2 | 50.9° | 5.0° |
| HN | N | CA | CB | 0.0° | 180.0° |
| HN | N | CA | HA | 180.0° | 0.0° |
| CA | CB | CG | HB1 | 120.1° | 119.9° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | HB1 | HB2 | 120.1° | 120.1° |
| CA | CB | CG | CD2 | 136.9° | 84.6° |
| CA | CB | CG | CD1 | 42.3° | 95.0° |
| HA | CA | CB | CG | 9.2° | 54.9° |
| HA | CA | CB | HB1 | 110.9° | 65.0° |
| HA | CA | CB | HB2 | 129.2° | 175.0° |
| CG | CB | HB1 | HB2 | 120.0° | 120.0° |
| CB | CG | CD2 | CD1 | 179.3° | 179.7° |
| CB | CG | CD2 | CE3 | 1.8° | 0.8° |
| CB | CG | CD2 | CE2 | 179.2° | 179.9° |
| CB | CG | CD1 | NE1 | 179.5° | 179.9° |
| CB | CG | CD1 | HD1 | 0.5° | 0.0° |
| HB1 | CB | CG | CD2 | 103.1° | 35.3° |
| HB1 | CB | CG | CD1 | 77.7° | 145.0° |
| HB2 | CB | CG | CD2 | 16.9° | 155.3° |
| HB2 | CB | CG | CD1 | 162.3° | 25.0° |
| CG | CD2 | CE3 | CE2 | 178.8° | 178.9° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 179.6° |
| CG | CD2 | CE3 | HE3 | 0.1° | 0.7° |
| CG | CD2 | CE2 | CZ2 | 179.3° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.3° | 0.5° |
| CD2 | CG | CD1 | NE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CD1 | CG | CD2 | CE3 | 178.9° | 179.5° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.4° |
| CG | CD1 | NE1 | CE2 | 0.3° | 0.1° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | NE1 | HE1 | 179.7° | 180.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.7° |
| CD2 | CE3 | CZ3 | CH2 | 0.8° | 0.4° |
| CD2 | CE3 | CZ3 | HZ3 | 179.2° | 179.7° |
| CE3 | CD2 | CE2 | CZ2 | 0.2° | 0.6° |
| CE3 | CD2 | CE2 | NE1 | 178.8° | 179.7° |
| CE2 | CD2 | CE3 | CZ3 | 1.3° | 0.7° |
| CE2 | CD2 | CE3 | HE3 | 178.7° | 179.6° |
| CD2 | CE2 | CZ2 | CH2 | 1.3° | 0.3° |
| CD2 | CE2 | CZ2 | NE1 | 178.7° | 179.6° |
| CD2 | CE2 | CZ2 | HZ2 | 178.7° | 179.7° |
| CD2 | CE2 | NE1 | CD1 | 0.4° | 0.3° |
| CD2 | CE2 | NE1 | HE1 | 179.6° | 179.8° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.7° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.3° | 179.9° |
| HE3 | CE3 | CZ3 | CH2 | 179.2° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.8° | 0.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | CE2 | 1.8° | 0.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 178.2° | 180.0° |
| HZ3 | CZ3 | CH2 | CZ2 | 179.3° | 179.9° |
| HZ3 | CZ3 | CH2 | HH2 | 0.7° | 0.0° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | NE1 | 180.0° | 179.9° |
| HH2 | CH2 | CZ2 | CE2 | 178.2° | 179.9° |
| HH2 | CH2 | CZ2 | HZ2 | 1.8° | 0.0° |
| CZ2 | CE2 | NE1 | CD1 | 179.2° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.8° | 0.1° |
| HZ2 | CZ2 | CE2 | NE1 | 0.0° | 0.1° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | HD1 | 179.7° | 180.0° |
| HE1 | NE1 | CD1 | HD1 | 0.3° | 0.1° |
