TSS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA | sing | 1.47Å | 1.47Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| 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 | 1.47Å | 1.37Å | 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 | 1.39Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.39Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CE3 | sing | 1.37Å | 1.39Å | 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 | N1 | HN11 | 109.5° | 106.7° |
| CA | N1 | HN12 | 109.5° | 106.7° |
| N1 | CA | CB | 106.0° | 109.5° |
| N1 | CA | HA1 | 111.4° | 109.5° |
| N1 | CA | HA2 | 110.6° | 109.5° |
| HN11 | N1 | HN12 | 109.4° | 106.7° |
| CB | CA | HA1 | 111.4° | 109.5° |
| CB | CA | HA2 | 110.6° | 109.4° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB1 | 107.4° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.4° |
| HA1 | CA | HA2 | 106.8° | 109.5° |
| CG | CB | HB1 | 107.5° | 109.5° |
| CG | CB | HB2 | 108.3° | 109.5° |
| CB | CG | CD1 | 128.9° | 126.5° |
| CB | CG | CD2 | 124.3° | 126.5° |
| HB1 | CB | HB2 | 112.4° | 109.5° |
| CD1 | CG | CD2 | 106.8° | 107.0° |
| CG | CD1 | NE1 | 108.8° | 109.9° |
| CG | CD1 | HD1 | 125.6° | 125.1° |
| CG | CD2 | CE2 | 108.0° | 106.0° |
| CG | CD2 | CE3 | 128.6° | 134.0° |
| NE1 | CD1 | HD1 | 125.6° | 125.0° |
| CD1 | NE1 | CE2 | 108.5° | 109.9° |
| CD1 | NE1 | HE1 | 125.7° | 125.1° |
| CE2 | NE1 | HE1 | 125.7° | 125.1° |
| NE1 | CE2 | CD2 | 107.8° | 107.2° |
| NE1 | CE2 | CZ2 | 132.9° | 133.5° |
| CD2 | CE2 | CZ2 | 119.2° | 119.3° |
| CE2 | CD2 | CE3 | 123.3° | 120.0° |
| CE2 | CZ2 | CH2 | 117.8° | 119.8° |
| CE2 | CZ2 | HZ2 | 121.1° | 120.1° |
| CD2 | CE3 | CZ3 | 116.7° | 119.8° |
| CD2 | CE3 | HE3 | 121.7° | 120.1° |
| CH2 | CZ2 | HZ2 | 121.1° | 120.1° |
| CZ2 | CH2 | CZ3 | 122.1° | 120.6° |
| CZ2 | CH2 | HH2 | 118.9° | 119.7° |
| CZ3 | CH2 | HH2 | 118.9° | 119.7° |
| CH2 | CZ3 | CE3 | 120.8° | 120.5° |
| CH2 | CZ3 | HZ3 | 119.6° | 119.7° |
| CE3 | CZ3 | HZ3 | 119.6° | 119.8° |
| CZ3 | CE3 | HE3 | 121.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N1 | HN11 | HN12 | 120.0° | 113.8° |
| N1 | CA | CB | HA1 | 121.3° | 120.0° |
| N1 | CA | CB | HA2 | 120.0° | 120.0° |
| N1 | CA | HA1 | HA2 | 120.9° | 120.0° |
| N1 | CA | CB | CG | 175.6° | 180.0° |
| N1 | CA | CB | HB1 | 66.0° | 60.0° |
| N1 | CA | CB | HB2 | 55.6° | 60.0° |
| HN11 | N1 | CA | CB | 60.7° | 66.2° |
| HN11 | N1 | CA | HA1 | 60.6° | 173.8° |
| HN11 | N1 | CA | HA2 | 179.3° | 53.8° |
| HN12 | N1 | CA | CB | 59.2° | 180.0° |
| HN12 | N1 | CA | HA1 | 179.4° | 60.0° |
| HN12 | N1 | CA | HA2 | 60.7° | 60.1° |
| CB | CA | HA1 | HA2 | 120.9° | 120.0° |
| CA | CB | CG | HB1 | 118.4° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.0° | 120.0° |
| CA | CB | CG | CD1 | 61.3° | 95.0° |
| CA | CB | CG | CD2 | 117.6° | 84.7° |
| HA1 | CA | CB | CG | 54.2° | 60.0° |
| HA1 | CA | CB | HB1 | 172.6° | 180.0° |
| HA1 | CA | CB | HB2 | 65.8° | 60.0° |
| HA2 | CA | CB | CG | 64.4° | 60.0° |
| HA2 | CA | CB | HB1 | 54.0° | 60.0° |
| HA2 | CA | CB | HB2 | 175.6° | NaN° |
| CG | CB | HB1 | HB2 | 119.0° | 120.1° |
| CB | CG | CD1 | CD2 | 179.1° | 179.8° |
| CB | CG | CD1 | NE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE2 | 179.9° | 179.9° |
| CB | CG | CD2 | CE3 | 0.8° | 0.7° |
| HB1 | CB | CG | CD1 | 179.7° | 145.0° |
| HB1 | CB | CG | CD2 | 0.8° | 35.3° |
| HB2 | CB | CG | CD1 | 58.7° | 24.9° |
| HB2 | CB | CG | CD2 | 122.4° | 155.3° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | NE1 | CE2 | 0.2° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.8° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.3° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.5° |
| CD2 | CG | CD1 | NE1 | 0.7° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.2° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.9° | 0.3° |
| CG | CD2 | CE2 | CE3 | 179.1° | 179.3° |
| CG | CD2 | CE2 | CZ2 | 179.7° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 179.4° | 179.7° |
| CG | CD2 | CE3 | HE3 | 0.6° | 0.6° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 0.4° | 0.3° |
| CD1 | NE1 | CE2 | CZ2 | 179.7° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.8° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.2° | 0.1° |
| NE1 | CE2 | CD2 | CZ2 | 179.4° | 179.8° |
| NE1 | CE2 | CD2 | CE3 | 180.0° | 179.7° |
| NE1 | CE2 | CZ2 | CH2 | 179.5° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.5° | 0.1° |
| HE1 | NE1 | CE2 | CD2 | 179.6° | 179.8° |
| HE1 | NE1 | CE2 | CZ2 | 0.3° | 0.1° |
| CD2 | CE2 | CZ2 | CH2 | 0.3° | 0.3° |
| CD2 | CE2 | CZ2 | HZ2 | 179.7° | 179.8° |
| CE2 | CD2 | CE3 | CZ3 | 0.5° | 0.6° |
| CE2 | CD2 | CE3 | HE3 | 179.5° | 179.7° |
| CZ2 | CE2 | CD2 | CE3 | 0.6° | 0.5° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | CZ3 | 0.1° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.1° | 0.3° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.7° |
| CD2 | CE3 | CZ3 | HZ3 | 179.9° | 179.8° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.2° | 0.1° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.8° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 179.9° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.1° | 0.1° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | HE3 | 179.9° | 179.9° |
| HH2 | CH2 | CZ3 | CE3 | 179.8° | 180.0° |
| HH2 | CH2 | CZ3 | HZ3 | 0.2° | 0.1° |
| HZ3 | CZ3 | CE3 | HE3 | 0.1° | 0.0° |
