TRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD2 | sing | 1.47Å | 1.46Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.37Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.42Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.41Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.10Å | |
| CD1 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| NE1 | HE1 | sing | 0.97Å | 1.02Å | |
| CZ2 | CH2 | doub | 1.39Å | 1.37Å | Aromatic |
| CZ2 | O7 | sing | 1.36Å | 1.24Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
| CH2 | N6 | sing | 1.40Å | 1.41Å | |
| N6 | N1 | sing | 1.40Å | 1.34Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | HC | sing | 1.08Å | 1.10Å | |
| N1 | C1 | sing | 1.40Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.39Å | 1.48Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.47Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.8° | 106.6° |
| CA | N | H2 | 110.5° | 106.7° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | C | 103.7° | 109.5° |
| N | CA | HA | 113.7° | 109.5° |
| H | N | H2 | 111.8° | 106.8° |
| CB | CA | C | 112.5° | 109.5° |
| CB | CA | HA | 105.0° | 109.5° |
| CA | CB | CG | 117.5° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.4° |
| CA | CB | HB3 | 109.3° | 109.4° |
| C | CA | HA | 111.7° | 109.4° |
| CA | C | O | 119.8° | 120.0° |
| CA | C | HC | 130.3° | 120.0° |
| CG | CB | HB2 | 109.3° | 109.6° |
| CG | CB | HB3 | 109.3° | 109.5° |
| CB | CG | CD2 | 127.6° | 126.5° |
| CB | CG | CD1 | 126.0° | 126.5° |
| HB2 | CB | HB3 | 100.8° | 109.5° |
| CD2 | CG | CD1 | 106.3° | 107.1° |
| CG | CD2 | CE2 | 106.1° | 106.0° |
| CG | CD2 | CE3 | 136.2° | 133.9° |
| CG | CD1 | NE1 | 110.3° | 109.9° |
| CG | CD1 | HD1 | 124.9° | 125.0° |
| CE2 | CD2 | CE3 | 117.7° | 120.0° |
| CD2 | CE2 | NE1 | 108.1° | 107.2° |
| CD2 | CE2 | CZ2 | 122.6° | 119.4° |
| CD2 | CE3 | CZ3 | 119.2° | 120.0° |
| CD2 | CE3 | HE3 | 121.5° | 120.0° |
| NE1 | CE2 | CZ2 | 129.3° | 133.4° |
| CE2 | NE1 | CD1 | 109.2° | 109.8° |
| CE2 | NE1 | HE1 | 125.2° | 125.1° |
| CE2 | CZ2 | CH2 | 117.6° | 119.7° |
| CE2 | CZ2 | O7 | 115.2° | 120.2° |
| CZ3 | CE3 | HE3 | 119.3° | 120.0° |
| CE3 | CZ3 | CH2 | 121.6° | 120.5° |
| CE3 | CZ3 | HZ3 | 118.7° | 119.7° |
| NE1 | CD1 | HD1 | 124.9° | 125.0° |
| CD1 | NE1 | HE1 | 125.5° | 125.0° |
| CH2 | CZ2 | O7 | 127.2° | 120.1° |
| CZ2 | CH2 | CZ3 | 121.3° | 120.4° |
| CZ2 | CH2 | N6 | 121.5° | 119.8° |
| CZ2 | O7 | HO7 | 115.2° | 106.9° |
| CH2 | CZ3 | HZ3 | 119.7° | 119.8° |
| CZ3 | CH2 | N6 | 117.2° | 119.8° |
| CH2 | N6 | N1 | 120.8° | 120.1° |
| CH2 | N6 | HN6 | 108.2° | 120.0° |
| N1 | N6 | HN6 | 108.1° | 119.9° |
| N6 | N1 | C1 | 120.9° | 120.1° |
| N6 | N1 | HN1 | 108.1° | 119.9° |
| O | C | HC | 109.9° | 120.0° |
| C1 | N1 | HN1 | 108.1° | 120.0° |
| N1 | C1 | C2 | 123.9° | 120.1° |
| N1 | C1 | C6 | 121.5° | 120.1° |
| C2 | C1 | C6 | 114.6° | 119.8° |
| C1 | C2 | C3 | 123.3° | 120.0° |
| C1 | C2 | HC2 | 118.8° | 120.0° |
| C1 | C6 | C5 | 122.0° | 120.0° |
| C1 | C6 | HC6 | 119.6° | 120.0° |
| C3 | C2 | HC2 | 117.9° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C2 | C3 | HC3 | 121.4° | 120.0° |
| C4 | C3 | HC3 | 118.8° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C3 | C4 | HC4 | 119.5° | 119.9° |
| C5 | C4 | HC4 | 120.9° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C4 | C5 | HC5 | 119.1° | 119.9° |
| C6 | C5 | HC5 | 120.1° | 120.0° |
| C5 | C6 | HC6 | 118.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 124.5° | 113.8° |
| N | CA | CB | C | 115.4° | 120.0° |
| N | CA | CB | HA | 122.9° | 120.0° |
| N | CA | C | HA | 122.8° | 120.0° |
| N | CA | CB | CG | 60.3° | 60.0° |
| N | CA | CB | HB2 | 64.9° | 60.1° |
| N | CA | CB | HB3 | 174.4° | 180.0° |
| N | CA | C | O | 12.6° | 0.1° |
| N | CA | C | HC | 167.4° | 179.9° |
| H | N | CA | CB | 54.8° | 60.1° |
| H | N | CA | C | 175.6° | 60.0° |
| H | N | CA | HA | 62.9° | 180.0° |
| H2 | N | CA | CB | 180.0° | 53.8° |
| H2 | N | CA | C | 59.2° | 173.8° |
| H2 | N | CA | HA | 62.3° | 66.2° |
| CB | CA | C | HA | 117.8° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 119.9° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.1° | 119.9° |
| CA | CB | CG | CD2 | 97.5° | 90.3° |
| CA | CB | CG | CD1 | 86.2° | 90.0° |
| CB | CA | C | O | 106.9° | 120.0° |
| CB | CA | C | HC | 73.1° | 60.0° |
| C | CA | CB | CG | 55.1° | 180.0° |
| C | CA | CB | HB2 | 179.7° | 60.0° |
| C | CA | CB | HB3 | 70.2° | 60.0° |
| CA | C | O | HC | 180.0° | 180.0° |
| HA | CA | CB | CG | 176.7° | 60.0° |
| HA | CA | CB | HB2 | 58.0° | 179.9° |
| HA | CA | CB | HB3 | 51.5° | 60.0° |
| HA | CA | C | O | 135.4° | 120.0° |
| HA | CA | C | HC | 44.7° | 60.0° |
| CG | CB | HB2 | HB3 | 115.1° | 120.1° |
| CB | CG | CD2 | CD1 | 176.9° | 179.7° |
| CB | CG | CD2 | CE2 | 176.6° | 179.9° |
| CB | CG | CD2 | CE3 | 3.1° | 0.7° |
| CB | CG | CD1 | NE1 | 176.5° | 179.9° |
| CB | CG | CD1 | HD1 | 3.5° | 0.1° |
| HB2 | CB | CG | CD2 | 27.8° | 149.7° |
| HB2 | CB | CG | CD1 | 148.6° | 29.9° |
| HB3 | CB | CG | CD2 | 137.3° | 29.6° |
| HB3 | CB | CG | CD1 | 39.1° | 150.0° |
| CG | CD2 | CE2 | CE3 | 179.8° | 179.3° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.4° |
| CG | CD2 | CE2 | CZ2 | 180.0° | 179.8° |
| CG | CD2 | CE3 | CZ3 | 179.7° | 179.6° |
| CG | CD2 | CE3 | HE3 | 0.3° | 0.6° |
| CD2 | CG | CD1 | NE1 | 0.4° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.4° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.6° |
| CG | CD1 | NE1 | CE2 | 0.4° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | NE1 | HE1 | 179.7° | 179.9° |
| CD2 | CE2 | NE1 | CZ2 | 179.9° | 179.7° |
| CE2 | CD2 | CE3 | CZ3 | 0.0° | 0.5° |
| CE2 | CD2 | CE3 | HE3 | 180.0° | 179.7° |
| CD2 | CE2 | NE1 | CD1 | 0.1° | 0.3° |
| CD2 | CE2 | NE1 | HE1 | 179.9° | 179.7° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.3° |
| CD2 | CE2 | CZ2 | O7 | 179.3° | 179.6° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 179.7° |
| CE3 | CD2 | CE2 | CZ2 | 0.2° | 0.5° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.8° |
| CD2 | CE3 | CZ3 | CH2 | 0.1° | 0.2° |
| CD2 | CE3 | CZ3 | HZ3 | 179.9° | 179.7° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | HD1 | 179.6° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 179.9° |
| NE1 | CE2 | CZ2 | O7 | 0.6° | 0.1° |
| CZ2 | CE2 | NE1 | CD1 | 179.8° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.2° | 0.0° |
| CE2 | CZ2 | CH2 | O7 | 179.4° | 179.9° |
| CE2 | CZ2 | CH2 | CZ3 | 0.1° | 0.0° |
| CE2 | CZ2 | CH2 | N6 | 179.7° | 179.9° |
| CE2 | CZ2 | O7 | HO7 | 180.0° | 89.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.1° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | N6 | 179.9° | 179.9° |
| HE3 | CE3 | CZ3 | CH2 | 179.9° | 179.9° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.1° |
| HD1 | CD1 | NE1 | HE1 | 0.3° | 0.1° |
| CZ2 | CH2 | CZ3 | N6 | 179.8° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.9° | 180.0° |
| CZ2 | CH2 | N6 | N1 | 44.7° | 179.9° |
| CZ2 | CH2 | N6 | HN6 | 80.6° | 0.1° |
| CH2 | CZ2 | O7 | HO7 | 0.5° | 90.0° |
| O7 | CZ2 | CH2 | CZ3 | 179.4° | 179.9° |
| O7 | CZ2 | CH2 | N6 | 0.8° | 0.1° |
| CZ3 | CH2 | N6 | N1 | 135.2° | 0.1° |
| CZ3 | CH2 | N6 | HN6 | 99.6° | 180.0° |
| HZ3 | CZ3 | CH2 | N6 | 0.1° | 0.0° |
| CH2 | N6 | N1 | HN6 | 125.3° | 179.8° |
| CH2 | N6 | N1 | C1 | 113.4° | 180.0° |
| CH2 | N6 | N1 | HN1 | 11.8° | 0.2° |
| N6 | N1 | C1 | HN1 | 125.3° | 179.8° |
| N6 | N1 | C1 | C2 | 49.1° | 180.0° |
| N6 | N1 | C1 | C6 | 131.3° | 0.4° |
| HN6 | N6 | N1 | C1 | 121.3° | 0.2° |
| HN6 | N6 | N1 | HN1 | 113.4° | 180.0° |
| N1 | C1 | C2 | C6 | 179.7° | 179.6° |
| N1 | C1 | C2 | C3 | 179.5° | 180.0° |
| N1 | C1 | C2 | HC2 | 0.5° | 0.1° |
| N1 | C1 | C6 | C5 | 179.6° | 179.8° |
| N1 | C1 | C6 | HC6 | 0.4° | 0.4° |
| HN1 | N1 | C1 | C2 | 76.2° | 0.2° |
| HN1 | N1 | C1 | C6 | 103.4° | 179.8° |
| C1 | C2 | C3 | HC2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | HC3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C2 | C1 | C6 | HC6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.4° |
| C6 | C1 | C2 | HC2 | 179.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.4° |
| C1 | C6 | C5 | HC5 | 179.9° | 179.7° |
| C2 | C3 | C4 | HC3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | HC4 | 179.9° | 180.0° |
| HC2 | C2 | C3 | C4 | 179.9° | 180.0° |
| HC2 | C2 | C3 | HC3 | 0.1° | 0.1° |
| C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | HC5 | 179.9° | 180.0° |
| HC3 | C3 | C4 | C5 | 180.0° | 180.0° |
| HC3 | C3 | C4 | HC4 | 0.1° | 0.0° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.7° |
| C4 | C5 | C6 | HC6 | 179.9° | 180.0° |
| HC4 | C4 | C5 | C6 | 179.9° | 179.7° |
| HC4 | C4 | C5 | HC5 | 0.1° | 0.0° |
| HC5 | C5 | C6 | HC6 | 0.1° | 0.3° |
