HAQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.51Å | 1.52Å | |
| CA | C2 | sing | 1.48Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.50Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CE1 | sing | 1.49Å | 1.57Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N2 | sing | 1.34Å | 1.33Å | |
| N2 | CA2 | sing | 1.48Å | 1.50Å | |
| N2 | CD1 | sing | 1.40Å | 1.41Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | C | sing | 1.51Å | 1.51Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.51Å | 1.45Å | |
| CB2 | HB23 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG2 | CD1 | doub | 1.39Å | 1.37Å | Aromatic |
| CG2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.40Å | 1.43Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.45Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | CB | 114.8° | 108.7° |
| N | CA | C2 | 111.7° | 108.7° |
| N | CA | HA | 105.1° | 108.7° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C2 | 112.8° | 113.4° |
| CB | CA | HA | 103.9° | 108.7° |
| CA | CB | CG | 114.0° | 113.3° |
| CA | CB | HB2 | 108.0° | 108.7° |
| CA | CB | HB3 | 108.0° | 108.7° |
| C2 | CA | HA | 107.6° | 108.6° |
| CA | C2 | O2 | 121.1° | 116.4° |
| CA | C2 | N2 | 117.8° | 127.2° |
| CG | CB | HB2 | 108.0° | 108.7° |
| CG | CB | HB3 | 108.0° | 108.7° |
| CB | CG | CE1 | 115.7° | 115.1° |
| CB | CG | HG2 | 107.4° | 108.4° |
| CB | CG | HG3 | 107.5° | 108.4° |
| HB2 | CB | HB3 | 110.9° | 108.6° |
| CE1 | CG | HG2 | 107.4° | 108.3° |
| CE1 | CG | HG3 | 107.4° | 108.3° |
| CG | CE1 | CD1 | 125.1° | 123.5° |
| CG | CE1 | CZ | 119.2° | 116.1° |
| HG2 | CG | HG3 | 111.4° | 108.1° |
| O2 | C2 | N2 | 120.7° | 116.4° |
| C2 | N2 | CA2 | 121.9° | 119.4° |
| C2 | N2 | CD1 | 124.1° | 130.6° |
| CA2 | N2 | CD1 | 107.5° | 110.0° |
| N2 | CA2 | CB2 | 100.1° | 105.5° |
| N2 | CA2 | C | 117.6° | 110.2° |
| N2 | CA2 | HA2 | 110.1° | 110.3° |
| N2 | CD1 | CG2 | 109.9° | 110.9° |
| N2 | CD1 | CE1 | 127.9° | 131.8° |
| CB2 | CA2 | C | 107.9° | 110.3° |
| CB2 | CA2 | HA2 | 119.4° | 110.2° |
| CA2 | CB2 | CG2 | 107.5° | 104.3° |
| CA2 | CB2 | HB23 | 110.1° | 110.5° |
| CA2 | CB2 | HB22 | 110.1° | 110.5° |
| C | CA2 | HA2 | 102.5° | 110.3° |
| CA2 | C | O | 121.4° | 120.0° |
| CA2 | C | OXT | 114.2° | 120.0° |
| CG2 | CB2 | HB23 | 110.1° | 110.4° |
| CG2 | CB2 | HB22 | 110.1° | 110.5° |
| CB2 | CG2 | CD1 | 108.0° | 109.3° |
| CB2 | CG2 | CD2 | 128.9° | 128.6° |
| HB23 | CB2 | HB22 | 108.8° | 110.6° |
| CD1 | CG2 | CD2 | 123.0° | 122.0° |
| CG2 | CD1 | CE1 | 122.0° | 117.3° |
| CG2 | CD2 | CE2 | 118.0° | 120.1° |
| CG2 | CD2 | HD2 | 121.0° | 120.0° |
| CD1 | CE1 | CZ | 115.7° | 120.4° |
| CE2 | CD2 | HD2 | 121.0° | 120.0° |
| CD2 | CE2 | CZ | 119.7° | 118.8° |
| CD2 | CE2 | HE2 | 120.2° | 120.6° |
| CE1 | CZ | CE2 | 121.7° | 121.5° |
| CE1 | CZ | HZ | 119.1° | 119.3° |
| CZ | CE2 | HE2 | 120.1° | 120.6° |
| CE2 | CZ | HZ | 119.2° | 119.2° |
| O | C | OXT | 123.6° | 119.9° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | CB | C2 | 129.6° | 120.9° |
| N | CA | CB | HA | 114.2° | 118.2° |
| N | CA | C2 | HA | 114.9° | 118.1° |
| N | CA | CB | CG | 144.9° | 162.0° |
| N | CA | CB | HB2 | 24.9° | 41.0° |
| N | CA | CB | HB3 | 95.1° | 77.1° |
| N | CA | C2 | O2 | 8.9° | 23.6° |
| N | CA | C2 | N2 | 179.1° | 156.4° |
| H | N | CA | CB | 180.0° | 180.0° |
| H | N | CA | C2 | 49.9° | 56.2° |
| H | N | CA | HA | 66.4° | 61.8° |
| H2 | N | CA | CB | 60.0° | 56.0° |
| H2 | N | CA | C2 | 70.1° | 67.8° |
| H2 | N | CA | HA | 173.5° | 174.1° |
| CB | CA | C2 | HA | 114.0° | 121.0° |
| CA | CB | CG | HB2 | 120.0° | 121.0° |
| CA | CB | CG | HB3 | 120.0° | 121.0° |
| CA | CB | HB2 | HB3 | 118.1° | 118.1° |
| CA | CB | CG | CE1 | 30.0° | 77.3° |
| CA | CB | CG | HG2 | 90.0° | 44.1° |
| CA | CB | CG | HG3 | 150.0° | 161.2° |
| CB | CA | C2 | O2 | 122.2° | 144.6° |
| CB | CA | C2 | N2 | 49.8° | 35.4° |
| C2 | CA | CB | CG | 85.5° | 77.1° |
| C2 | CA | CB | HB2 | 154.5° | 161.9° |
| C2 | CA | CB | HB3 | 34.5° | 43.9° |
| CA | C2 | O2 | N2 | 171.8° | 180.0° |
| CA | C2 | N2 | CA2 | 177.3° | 177.6° |
| CA | C2 | N2 | CD1 | 29.1° | 2.9° |
| HA | CA | CB | CG | 30.7° | 43.8° |
| HA | CA | CB | HB2 | 89.3° | 77.2° |
| HA | CA | CB | HB3 | 150.7° | 164.8° |
| HA | CA | C2 | O2 | 123.8° | 94.5° |
| HA | CA | C2 | N2 | 64.2° | 85.5° |
| CG | CB | HB2 | HB3 | 118.2° | 118.1° |
| CB | CG | CE1 | HG2 | 120.0° | 121.5° |
| CB | CG | CE1 | HG3 | 120.0° | 121.5° |
| CB | CG | HG2 | HG3 | 117.5° | 117.3° |
| CB | CG | CE1 | CD1 | 26.4° | 33.8° |
| CB | CG | CE1 | CZ | 157.7° | 146.1° |
| HB2 | CB | CG | CE1 | 149.9° | 161.7° |
| HB2 | CB | CG | HG2 | 30.0° | 76.9° |
| HB2 | CB | CG | HG3 | 90.0° | 40.2° |
| HB3 | CB | CG | CE1 | 90.0° | 43.7° |
| HB3 | CB | CG | HG2 | 150.0° | 165.1° |
| HB3 | CB | CG | HG3 | 30.0° | 77.8° |
| CE1 | CG | HG2 | HG3 | 117.4° | 117.2° |
| CG | CE1 | CD1 | N2 | 10.0° | 0.2° |
| CG | CE1 | CD1 | CG2 | 174.8° | 179.5° |
| CG | CE1 | CD1 | CZ | 176.1° | 179.9° |
| CG | CE1 | CZ | CE2 | 176.1° | 179.9° |
| CG | CE1 | CZ | HZ | 3.9° | 0.2° |
| HG2 | CG | CE1 | CD1 | 146.4° | 87.6° |
| HG2 | CG | CE1 | CZ | 37.7° | 92.4° |
| HG3 | CG | CE1 | CD1 | 93.7° | 155.3° |
| HG3 | CG | CE1 | CZ | 82.3° | 24.7° |
| O2 | C2 | N2 | CA2 | 10.7° | 2.4° |
| O2 | C2 | N2 | CD1 | 158.9° | 177.1° |
| C2 | N2 | CA2 | CD1 | 152.8° | 179.6° |
| C2 | N2 | CA2 | CB2 | 126.6° | 179.0° |
| C2 | N2 | CA2 | C | 116.9° | 60.0° |
| C2 | N2 | CA2 | HA2 | 0.0° | 62.0° |
| C2 | N2 | CD1 | CG2 | 127.9° | 179.0° |
| C2 | N2 | CD1 | CE1 | 47.7° | 1.3° |
| N2 | CA2 | CB2 | C | 123.5° | 119.0° |
| N2 | CA2 | CB2 | HA2 | 120.1° | 119.0° |
| N2 | CA2 | C | HA2 | 120.9° | 122.0° |
| N2 | CA2 | CB2 | CG2 | 20.0° | 0.4° |
| N2 | CA2 | CB2 | HB23 | 140.0° | 118.3° |
| N2 | CA2 | CB2 | HB22 | 100.0° | 119.1° |
| CA2 | N2 | CD1 | CG2 | 24.1° | 0.6° |
| CA2 | N2 | CD1 | CE1 | 160.3° | 179.1° |
| N2 | CA2 | C | O | 12.4° | 0.0° |
| N2 | CA2 | C | OXT | 177.3° | 180.0° |
| CD1 | N2 | CA2 | CB2 | 26.1° | 0.6° |
| CD1 | N2 | CA2 | C | 90.3° | 119.6° |
| CD1 | N2 | CA2 | HA2 | 152.8° | 118.4° |
| N2 | CD1 | CG2 | CB2 | 10.3° | 0.3° |
| N2 | CD1 | CG2 | CE1 | 175.9° | 179.7° |
| N2 | CD1 | CG2 | CD2 | 174.5° | 179.7° |
| N2 | CD1 | CE1 | CZ | 173.9° | 179.8° |
| CB2 | CA2 | C | HA2 | 126.9° | 122.0° |
| CA2 | CB2 | CG2 | HB23 | 120.0° | 118.7° |
| CA2 | CB2 | CG2 | HB22 | 120.0° | 118.7° |
| CA2 | CB2 | HB23 | HB22 | 120.8° | 122.6° |
| CA2 | CB2 | CG2 | CD1 | 7.1° | 0.1° |
| CA2 | CB2 | CG2 | CD2 | 167.7° | 180.0° |
| CB2 | CA2 | C | O | 99.8° | 116.0° |
| CB2 | CA2 | C | OXT | 70.6° | 63.9° |
| C | CA2 | CB2 | CG2 | 103.6° | 119.3° |
| C | CA2 | CB2 | HB23 | 16.4° | 0.7° |
| C | CA2 | CB2 | HB22 | 136.5° | 121.9° |
| CA2 | C | O | OXT | 169.4° | 180.0° |
| CA2 | C | OXT | HXT | 170.1° | 180.0° |
| HA2 | CA2 | CB2 | CG2 | 140.1° | 118.6° |
| HA2 | CA2 | CB2 | HB23 | 100.0° | 122.7° |
| HA2 | CA2 | CB2 | HB22 | 20.1° | 0.1° |
| HA2 | CA2 | C | O | 133.3° | 122.0° |
| HA2 | CA2 | C | OXT | 56.4° | 58.0° |
| CG2 | CB2 | HB23 | HB22 | 120.8° | 122.6° |
| CB2 | CG2 | CD1 | CD2 | 175.2° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 173.7° | 179.5° |
| CB2 | CG2 | CD2 | CE2 | 173.6° | 179.8° |
| CB2 | CG2 | CD2 | HD2 | 6.4° | 0.3° |
| HB23 | CB2 | CG2 | CD1 | 127.1° | 118.6° |
| HB23 | CB2 | CG2 | CD2 | 47.7° | 61.4° |
| HB22 | CB2 | CG2 | CD1 | 112.9° | 118.8° |
| HB22 | CB2 | CG2 | CD2 | 72.3° | 61.3° |
| CD1 | CG2 | CD2 | CE2 | 0.5° | 0.3° |
| CD1 | CG2 | CD2 | HD2 | 179.5° | 179.7° |
| CG2 | CD1 | CE1 | CZ | 1.2° | 0.5° |
| CD2 | CG2 | CD1 | CE1 | 1.4° | 0.6° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.6° | 0.1° |
| CG2 | CD2 | CE2 | HE2 | 179.5° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.8° | 179.8° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.3° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.5° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.5° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.3° | 179.8° |
| HE2 | CE2 | CZ | HZ | 0.7° | 0.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
