TPL
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 | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB1 | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB1 | CG | sing | 1.51Å | 1.50Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.34Å | 1.34Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.51Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.31Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.09Å | |
| CD2 | CE3 | sing | 1.40Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.38Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CE2 | NE1 | sing | 1.38Å | 1.35Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.39Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.03Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.09Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| C | O | sing | 1.43Å | 1.44Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 116.7° | 106.7° |
| CA | N | H2 | 112.5° | 106.6° |
| N | CA | CB1 | 108.8° | 109.5° |
| N | CA | C | 111.7° | 109.5° |
| N | CA | HA | 110.0° | 109.4° |
| H | N | H2 | 68.8° | 106.7° |
| CB1 | CA | C | 109.6° | 109.5° |
| CB1 | CA | HA | 110.8° | 109.4° |
| CA | CB1 | CG | 109.6° | 109.5° |
| CA | CB1 | HB1 | 111.7° | 109.4° |
| CA | CB1 | HB2 | 109.7° | 109.5° |
| C | CA | HA | 105.8° | 109.5° |
| CA | C | O | 108.9° | 109.5° |
| CA | C | HC1 | 109.3° | 109.5° |
| CA | C | HC2 | 109.7° | 109.5° |
| CG | CB1 | HB1 | 106.4° | 109.4° |
| CG | CB1 | HB2 | 111.2° | 109.5° |
| CB1 | CG | CD1 | 128.5° | 126.5° |
| CB1 | CG | CD2 | 124.2° | 126.5° |
| HB1 | CB1 | HB2 | 108.1° | 109.4° |
| CD1 | CG | CD2 | 107.3° | 107.0° |
| CG | CD1 | NE1 | 109.1° | 109.9° |
| CG | CD1 | HD1 | 124.9° | 125.1° |
| CG | CD2 | CE3 | 134.9° | 134.0° |
| CG | CD2 | CE2 | 102.3° | 106.1° |
| NE1 | CD1 | HD1 | 126.0° | 125.0° |
| CD1 | NE1 | CE2 | 111.8° | 109.8° |
| CD1 | NE1 | HE1 | 124.1° | 125.1° |
| CE3 | CD2 | CE2 | 122.8° | 119.9° |
| CD2 | CE3 | CZ3 | 116.5° | 119.7° |
| CD2 | CE3 | HE3 | 121.5° | 120.1° |
| CD2 | CE2 | NE1 | 109.5° | 107.1° |
| CD2 | CE2 | CZ2 | 121.3° | 119.4° |
| CZ3 | CE3 | HE3 | 122.0° | 120.2° |
| CE3 | CZ3 | CH2 | 121.2° | 120.6° |
| CE3 | CZ3 | HZ3 | 119.3° | 119.7° |
| NE1 | CE2 | CZ2 | 129.2° | 133.5° |
| CE2 | NE1 | HE1 | 124.0° | 125.1° |
| CE2 | CZ2 | CH2 | 117.0° | 119.8° |
| CE2 | CZ2 | HZ2 | 121.4° | 120.1° |
| CH2 | CZ3 | HZ3 | 119.5° | 119.7° |
| CZ3 | CH2 | CZ2 | 121.3° | 120.6° |
| CZ3 | CH2 | HH2 | 119.4° | 119.7° |
| CH2 | CZ2 | HZ2 | 121.7° | 120.1° |
| CZ2 | CH2 | HH2 | 119.3° | 119.6° |
| O | C | HC1 | 109.6° | 109.4° |
| O | C | HC2 | 110.4° | 109.5° |
| C | O | HO | 113.2° | 106.8° |
| HC1 | C | HC2 | 108.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 105.3° | 113.7° |
| N | CA | CB1 | C | 122.4° | 120.1° |
| N | CA | CB1 | HA | 121.1° | 119.9° |
| N | CA | C | HA | 119.7° | 119.9° |
| N | CA | CB1 | CG | 31.7° | 59.9° |
| N | CA | CB1 | HB1 | 149.4° | 60.1° |
| N | CA | CB1 | HB2 | 90.7° | 180.0° |
| N | CA | C | O | 84.3° | 60.0° |
| N | CA | C | HC1 | 35.5° | 179.9° |
| N | CA | C | HC2 | 154.8° | 60.1° |
| H | N | CA | CB1 | 21.9° | 53.7° |
| H | N | CA | C | 99.2° | 173.8° |
| H | N | CA | HA | 143.6° | 66.2° |
| H2 | N | CA | CB1 | 54.7° | 60.1° |
| H2 | N | CA | C | 175.9° | 60.0° |
| H2 | N | CA | HA | 66.9° | 180.0° |
| CB1 | CA | C | HA | 119.6° | 120.0° |
| CA | CB1 | CG | HB1 | 121.0° | 120.0° |
| CA | CB1 | CG | HB2 | 121.5° | 120.1° |
| CA | CB1 | HB1 | HB2 | 120.8° | 120.0° |
| CA | CB1 | CG | CD1 | 141.5° | 90.0° |
| CA | CB1 | CG | CD2 | 37.9° | 90.3° |
| CB1 | CA | C | O | 155.0° | 180.0° |
| CB1 | CA | C | HC1 | 85.2° | 60.0° |
| CB1 | CA | C | HC2 | 34.1° | 60.0° |
| C | CA | CB1 | CG | 154.1° | 180.0° |
| C | CA | CB1 | HB1 | 88.2° | 60.0° |
| C | CA | CB1 | HB2 | 31.7° | 60.0° |
| CA | C | O | HC1 | 119.6° | 120.0° |
| CA | C | O | HC2 | 120.5° | 120.1° |
| CA | C | HC1 | HC2 | 119.8° | 120.0° |
| CA | C | O | HO | 11.0° | 180.0° |
| HA | CA | CB1 | CG | 89.4° | 60.0° |
| HA | CA | CB1 | HB1 | 28.3° | 179.9° |
| HA | CA | CB1 | HB2 | 148.1° | 60.1° |
| HA | CA | C | O | 35.4° | 60.0° |
| HA | CA | C | HC1 | 155.2° | 60.0° |
| HA | CA | C | HC2 | 85.5° | 180.0° |
| CG | CB1 | HB1 | HB2 | 119.6° | 120.0° |
| CB1 | CG | CD1 | CD2 | 179.5° | 179.7° |
| CB1 | CG | CD1 | NE1 | 179.3° | 180.0° |
| CB1 | CG | CD1 | HD1 | 0.5° | 0.0° |
| CB1 | CG | CD2 | CE3 | 0.6° | 0.7° |
| CB1 | CG | CD2 | CE2 | 179.2° | 179.9° |
| HB1 | CB1 | CG | CD1 | 97.6° | 30.0° |
| HB1 | CB1 | CG | CD2 | 83.0° | 149.7° |
| HB2 | CB1 | CG | CD1 | 19.9° | 149.9° |
| HB2 | CB1 | CG | CD2 | 159.5° | 29.8° |
| CG | CD1 | NE1 | HD1 | 179.8° | 180.0° |
| CD1 | CG | CD2 | CE3 | 179.8° | 179.5° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.4° |
| CG | CD1 | NE1 | CE2 | 0.0° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.5° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.2° | 0.2° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
| CG | CD2 | CE3 | CE2 | 179.8° | 179.0° |
| CG | CD2 | CE3 | CZ3 | 179.4° | 179.6° |
| CG | CD2 | CE3 | HE3 | 0.7° | 0.7° |
| CG | CD2 | CE2 | NE1 | 0.3° | 0.4° |
| CG | CD2 | CE2 | CZ2 | 179.6° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 0.2° | 0.3° |
| CD1 | NE1 | CE2 | HE1 | 179.5° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.7° | 180.0° |
| HD1 | CD1 | NE1 | CE2 | 179.8° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.3° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.7° |
| CE3 | CD2 | CE2 | NE1 | 179.8° | 179.7° |
| CE3 | CD2 | CE2 | CZ2 | 0.3° | 0.6° |
| CD2 | CE3 | CZ3 | CH2 | 0.5° | 0.4° |
| CD2 | CE3 | CZ3 | HZ3 | 179.7° | 179.8° |
| CE2 | CD2 | CE3 | CZ3 | 0.4° | 0.6° |
| CE2 | CD2 | CE3 | HE3 | 179.6° | 179.7° |
| CD2 | CE2 | NE1 | CZ2 | 179.9° | 179.7° |
| CD2 | CE2 | NE1 | HE1 | 179.7° | 179.8° |
| CD2 | CE2 | CZ2 | CH2 | 0.1° | 0.3° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 179.8° |
| CE3 | CZ3 | CH2 | HZ3 | 179.8° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.4° | 0.1° |
| CE3 | CZ3 | CH2 | HH2 | 179.7° | 180.0° |
| HE3 | CE3 | CZ3 | CH2 | 179.5° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.3° | 0.1° |
| NE1 | CE2 | CZ2 | CH2 | 180.0° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.0° | 0.2° |
| CZ2 | CE2 | NE1 | HE1 | 0.2° | 0.1° |
| CE2 | CZ2 | CH2 | CZ3 | 0.2° | 0.1° |
| CE2 | CZ2 | CH2 | HZ2 | 179.9° | 179.9° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 180.0° |
| CZ3 | CH2 | CZ2 | HH2 | 179.9° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.9° | 180.0° |
| HZ3 | CZ3 | CH2 | CZ2 | 179.8° | 180.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.1° | 0.1° |
| HZ2 | CZ2 | CH2 | HH2 | 0.0° | 0.1° |
| O | C | HC1 | HC2 | 120.9° | 120.0° |
| HC1 | C | O | HO | 108.5° | 60.0° |
| HC2 | C | O | HO | 131.5° | 59.9° |
