TSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | CA | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.34Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.39Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.36Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | CE2 | sing | 1.38Å | 1.35Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CD2 | sing | 1.41Å | 1.40Å | Aromatic |
| CE2 | CZ2 | doub | 1.39Å | 1.39Å | Aromatic |
| CD2 | CE3 | doub | 1.40Å | 1.39Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.40Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.41Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CE3 | sing | 1.37Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | O1 | HO1 | 109.5° | 106.8° |
| O1 | CA | N | 108.2° | 109.5° |
| O1 | CA | CB | 107.9° | 109.5° |
| O1 | CA | HA | 112.8° | 109.4° |
| N | CA | CB | 113.4° | 109.5° |
| N | CA | HA | 107.2° | 109.5° |
| CA | N | HN1 | 109.5° | 106.7° |
| CA | N | HN2 | 109.5° | 106.7° |
| CB | CA | HA | 107.5° | 109.5° |
| CA | CB | CG | 106.9° | 109.4° |
| CA | CB | HB1 | 110.9° | 109.4° |
| CA | CB | HB2 | 110.3° | 109.5° |
| HN1 | N | HN2 | 109.5° | 106.7° |
| CG | CB | HB1 | 110.9° | 109.5° |
| CG | CB | HB2 | 110.3° | 109.5° |
| CB | CG | CD1 | 125.8° | 126.5° |
| CB | CG | CD2 | 128.2° | 126.5° |
| HB1 | CB | HB2 | 107.5° | 109.5° |
| CD1 | CG | CD2 | 105.9° | 107.1° |
| CG | CD1 | NE1 | 109.0° | 109.9° |
| CG | CD1 | HD1 | 125.5° | 125.0° |
| CG | CD2 | CE2 | 108.4° | 106.0° |
| CG | CD2 | CE3 | 130.4° | 134.1° |
| NE1 | CD1 | HD1 | 125.5° | 125.0° |
| CD1 | NE1 | CE2 | 109.3° | 109.9° |
| CD1 | NE1 | HE1 | 125.3° | 125.0° |
| CE2 | NE1 | HE1 | 125.4° | 125.1° |
| NE1 | CE2 | CD2 | 107.4° | 107.2° |
| NE1 | CE2 | CZ2 | 132.6° | 133.5° |
| CD2 | CE2 | CZ2 | 120.0° | 119.3° |
| CE2 | CD2 | CE3 | 121.2° | 119.9° |
| CE2 | CZ2 | CH2 | 119.9° | 119.8° |
| CE2 | CZ2 | HZ2 | 120.0° | 120.1° |
| CD2 | CE3 | CZ3 | 118.9° | 119.8° |
| CD2 | CE3 | HE3 | 120.6° | 120.1° |
| CH2 | CZ2 | HZ2 | 120.1° | 120.1° |
| CZ2 | CH2 | CZ3 | 119.6° | 120.6° |
| CZ2 | CH2 | HH2 | 120.2° | 119.7° |
| CZ3 | CH2 | HH2 | 120.2° | 119.7° |
| CH2 | CZ3 | CE3 | 120.5° | 120.6° |
| CH2 | CZ3 | HZ3 | 119.8° | 119.7° |
| CE3 | CZ3 | HZ3 | 119.7° | 119.7° |
| CZ3 | CE3 | HE3 | 120.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | CA | N | CB | 119.6° | 120.0° |
| O1 | CA | N | HA | 121.9° | 120.0° |
| O1 | CA | CB | HA | 122.0° | 120.0° |
| O1 | CA | N | HN1 | 126.4° | 173.8° |
| O1 | CA | N | HN2 | 113.6° | 60.0° |
| O1 | CA | CB | CG | 87.7° | 65.0° |
| O1 | CA | CB | HB1 | 151.3° | 55.0° |
| O1 | CA | CB | HB2 | 32.3° | 175.0° |
| HO1 | O1 | CA | N | 126.2° | 60.0° |
| HO1 | O1 | CA | CB | 3.3° | 180.0° |
| HO1 | O1 | CA | HA | 115.3° | 60.0° |
| N | CA | CB | HA | 118.3° | 120.0° |
| CA | N | HN1 | HN2 | 120.0° | 113.8° |
| N | CA | CB | CG | 152.6° | 175.0° |
| N | CA | CB | HB1 | 31.6° | 65.0° |
| N | CA | CB | HB2 | 87.4° | 55.0° |
| CB | CA | N | HN1 | 6.8° | 53.8° |
| CB | CA | N | HN2 | 126.9° | 60.0° |
| CA | CB | CG | HB1 | 121.0° | 119.9° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 120.7° | 120.0° |
| CA | CB | CG | CD1 | 75.5° | 95.0° |
| CA | CB | CG | CD2 | 102.0° | 84.7° |
| HA | CA | N | HN1 | 111.7° | 66.3° |
| HA | CA | N | HN2 | 8.3° | 180.0° |
| HA | CA | CB | CG | 34.3° | 55.0° |
| HA | CA | CB | HB1 | 86.7° | 175.0° |
| HA | CA | CB | HB2 | 154.3° | 65.0° |
| CG | CB | HB1 | HB2 | 120.7° | 120.1° |
| CB | CG | CD1 | CD2 | 178.0° | 179.8° |
| CB | CG | CD1 | NE1 | 178.8° | 180.0° |
| CB | CG | CD1 | HD1 | 1.2° | 0.1° |
| CB | CG | CD2 | CE2 | 178.4° | 179.8° |
| CB | CG | CD2 | CE3 | 2.1° | 0.6° |
| HB1 | CB | CG | CD1 | 45.5° | 145.0° |
| HB1 | CB | CG | CD2 | 137.0° | 35.2° |
| HB2 | CB | CG | CD1 | 164.5° | 25.0° |
| HB2 | CB | CG | CD2 | 18.0° | 155.2° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | NE1 | CE2 | 0.9° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.1° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.4° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.5° |
| CD2 | CG | CD1 | NE1 | 0.8° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.2° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.4° |
| CG | CD2 | CE2 | CE3 | 179.6° | 179.3° |
| CG | CD2 | CE2 | CZ2 | 179.2° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 179.3° | 179.7° |
| CG | CD2 | CE3 | HE3 | 0.7° | 0.6° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 0.5° | 0.2° |
| CD1 | NE1 | CE2 | CZ2 | 179.6° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.1° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.9° | 0.1° |
| NE1 | CE2 | CD2 | CZ2 | 179.2° | 179.8° |
| NE1 | CE2 | CD2 | CE3 | 179.6° | 179.7° |
| NE1 | CE2 | CZ2 | CH2 | 179.7° | 179.9° |
| NE1 | CE2 | CZ2 | HZ2 | 0.3° | 0.0° |
| HE1 | NE1 | CE2 | CD2 | 179.5° | 179.7° |
| HE1 | NE1 | CE2 | CZ2 | 0.4° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.8° | 0.2° |
| CD2 | CE2 | CZ2 | HZ2 | 179.3° | 179.7° |
| CE2 | CD2 | CE3 | CZ3 | 0.2° | 0.6° |
| CE2 | CD2 | CE3 | HE3 | 179.8° | 179.7° |
| CZ2 | CE2 | CD2 | CE3 | 0.4° | 0.5° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.9° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.0° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.4° | 0.3° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.8° |
| CD2 | CE3 | CZ3 | HZ3 | 179.6° | 179.7° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.8° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.2° | 179.9° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.1° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.9° | 0.1° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | HE3 | 179.6° | 180.0° |
| HH2 | CH2 | CZ3 | CE3 | 179.2° | 179.9° |
| HH2 | CH2 | CZ3 | HZ3 | 0.8° | 0.0° |
| HZ3 | CZ3 | CE3 | HE3 | 0.4° | 0.0° |
