HIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| CA | C | sing | 1.52Å | 1.50Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C | OXT | sing | 1.36Å | 37.80Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.48Å | 1.52Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CG | ND1 | sing | 1.39Å | 1.34Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.39Å | Aromatic |
| ND1 | CE1 | doub | 1.36Å | 1.36Å | Aromatic |
| CD2 | NE2 | sing | 1.39Å | 1.33Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | NE2 | sing | 1.36Å | 1.34Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.08Å | |
| NE2 | C2 | sing | 1.44Å | 1.51Å | |
| O1 | C1 | sing | 1.42Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1C1 | sing | 1.10Å | 1.10Å | |
| C1 | H1C2 | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | H3C1 | sing | 1.10Å | 1.10Å | |
| C3 | H3C2 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 118.0° |
| CA | N | H2 | 109.5° | 118.0° |
| N | CA | C | 109.9° | 106.3° |
| N | CA | CB | 108.3° | 110.8° |
| N | CA | HA | 109.9° | 109.6° |
| H | N | H2 | 109.5° | 122.6° |
| C | CA | CB | 109.3° | 112.6° |
| C | CA | HA | 108.9° | 108.4° |
| CA | C | O | 120.5° | 125.3° |
| CA | C | OXT | 163.6° | 112.0° |
| CB | CA | HA | 110.5° | 109.1° |
| CA | CB | CG | 112.5° | 112.8° |
| CA | CB | HB1 | 107.8° | 110.3° |
| CA | CB | HB2 | 108.5° | 109.4° |
| O | C | OXT | 49.5° | 122.7° |
| C | OXT | HXT | 163.6° | 114.8° |
| CG | CB | HB1 | 107.8° | 109.6° |
| CG | CB | HB2 | 108.5° | 108.4° |
| CB | CG | ND1 | 125.4° | 123.1° |
| CB | CG | CD2 | 127.4° | 129.8° |
| HB1 | CB | HB2 | 111.9° | 106.1° |
| ND1 | CG | CD2 | 107.3° | 107.0° |
| CG | ND1 | CE1 | 109.6° | 108.7° |
| CG | CD2 | NE2 | 105.5° | 108.6° |
| CG | CD2 | HD2 | 127.3° | 130.4° |
| ND1 | CE1 | NE2 | 105.4° | 108.3° |
| ND1 | CE1 | HE1 | 127.3° | 125.8° |
| NE2 | CD2 | HD2 | 127.3° | 121.0° |
| CD2 | NE2 | CE1 | 112.2° | 107.3° |
| CD2 | NE2 | C2 | 124.0° | 126.5° |
| NE2 | CE1 | HE1 | 127.3° | 125.9° |
| CE1 | NE2 | C2 | 123.7° | 126.0° |
| NE2 | C2 | O2 | 115.3° | 109.8° |
| NE2 | C2 | C1 | 108.4° | 109.1° |
| NE2 | C2 | C3 | 112.2° | 109.9° |
| C1 | O1 | H1 | 109.5° | 106.8° |
| O1 | C1 | C2 | 111.4° | 112.0° |
| O1 | C1 | H1C1 | 108.4° | 108.5° |
| O1 | C1 | H1C2 | 108.8° | 107.9° |
| C2 | O2 | H4 | 109.5° | 106.9° |
| O2 | C2 | C1 | 104.0° | 107.2° |
| O2 | C2 | C3 | 105.5° | 108.9° |
| C3 | O3 | H3 | 109.5° | 106.5° |
| O3 | C3 | C2 | 111.2° | 109.9° |
| O3 | C3 | H3C1 | 108.5° | 108.0° |
| O3 | C3 | H3C2 | 108.9° | 107.3° |
| C2 | C1 | H1C1 | 108.4° | 111.2° |
| C2 | C1 | H1C2 | 108.8° | 110.5° |
| C1 | C2 | C3 | 111.1° | 111.9° |
| H1C1 | C1 | H1C2 | 110.9° | 106.5° |
| C2 | C3 | H3C1 | 108.5° | 111.9° |
| C2 | C3 | H3C2 | 108.9° | 110.5° |
| H3C1 | C3 | H3C2 | 110.8° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 166.0° |
| N | CA | C | CB | 118.7° | 121.5° |
| N | CA | C | HA | 120.5° | 117.8° |
| N | CA | CB | HA | 120.4° | 120.8° |
| N | CA | C | O | 154.5° | 32.2° |
| N | CA | C | OXT | 157.5° | 147.6° |
| N | CA | CB | CG | 57.2° | 179.2° |
| N | CA | CB | HB1 | 175.9° | 56.3° |
| N | CA | CB | HB2 | 62.8° | 60.0° |
| H | N | CA | C | 141.4° | 168.3° |
| H | N | CA | CB | 99.3° | 69.1° |
| H | N | CA | HA | 21.6° | 51.3° |
| H2 | N | CA | C | 98.6° | 25.1° |
| H2 | N | CA | CB | 20.7° | 97.5° |
| H2 | N | CA | HA | 141.6° | 142.0° |
| C | CA | CB | HA | 119.8° | 120.4° |
| CA | C | O | OXT | 164.0° | 179.8° |
| CA | C | OXT | HXT | 179.9° | 179.8° |
| C | CA | CB | CG | 177.0° | 60.4° |
| C | CA | CB | HB1 | 64.3° | 62.5° |
| C | CA | CB | HB2 | 57.0° | 178.9° |
| CB | CA | C | O | 35.8° | 89.2° |
| CB | CA | C | OXT | 83.8° | 91.0° |
| CA | CB | CG | HB1 | 118.7° | 123.3° |
| CA | CB | CG | HB2 | 120.0° | 121.3° |
| CA | CB | HB1 | HB2 | 119.2° | 118.4° |
| CA | CB | CG | ND1 | 94.0° | 57.3° |
| CA | CB | CG | CD2 | 86.7° | 123.2° |
| HA | CA | C | O | 85.1° | 150.0° |
| HA | CA | C | OXT | 37.0° | 29.8° |
| HA | CA | CB | CG | 63.2° | 60.0° |
| HA | CA | CB | HB1 | 55.5° | 177.1° |
| HA | CA | CB | HB2 | 176.8° | 60.8° |
| O | C | OXT | HXT | 122.6° | 0.0° |
| CG | CB | HB1 | HB2 | 119.2° | 116.9° |
| CB | CG | ND1 | CD2 | 179.5° | 179.6° |
| CB | CG | ND1 | CE1 | 179.6° | 179.4° |
| CB | CG | CD2 | NE2 | 179.8° | 180.0° |
| CB | CG | CD2 | HD2 | 0.3° | 0.2° |
| HB1 | CB | CG | ND1 | 147.3° | 179.4° |
| HB1 | CB | CG | CD2 | 32.0° | 0.0° |
| HB2 | CB | CG | ND1 | 26.0° | 64.0° |
| HB2 | CB | CG | CD2 | 153.3° | 115.4° |
| ND1 | CG | CD2 | NE2 | 0.8° | 0.4° |
| ND1 | CG | CD2 | HD2 | 179.2° | 179.4° |
| CG | ND1 | CE1 | NE2 | 0.7° | 0.7° |
| CG | ND1 | CE1 | HE1 | 179.3° | 178.9° |
| CD2 | CG | ND1 | CE1 | 0.9° | 0.1° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.8° |
| CG | CD2 | NE2 | CE1 | 0.4° | 0.8° |
| CG | CD2 | NE2 | C2 | 178.4° | 176.2° |
| ND1 | CE1 | NE2 | CD2 | 0.2° | 0.9° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.6° |
| ND1 | CE1 | NE2 | C2 | 177.9° | 176.3° |
| CD2 | NE2 | CE1 | C2 | 178.1° | 175.4° |
| CD2 | NE2 | CE1 | HE1 | 179.8° | 178.7° |
| CD2 | NE2 | C2 | O2 | 32.9° | 27.2° |
| CD2 | NE2 | C2 | C1 | 83.1° | 90.0° |
| CD2 | NE2 | C2 | C3 | 153.7° | 147.0° |
| HD2 | CD2 | NE2 | CE1 | 179.6° | 179.0° |
| HD2 | CD2 | NE2 | C2 | 1.6° | 3.6° |
| CE1 | NE2 | C2 | O2 | 149.2° | 158.3° |
| CE1 | NE2 | C2 | C1 | 94.7° | 84.5° |
| CE1 | NE2 | C2 | C3 | 28.4° | 38.5° |
| HE1 | CE1 | NE2 | C2 | 2.1° | 3.3° |
| NE2 | C2 | C1 | O1 | 63.5° | 63.5° |
| NE2 | C2 | O2 | C1 | 118.6° | 118.4° |
| NE2 | C2 | O2 | C3 | 124.4° | 120.4° |
| NE2 | C2 | O2 | H4 | 154.1° | 53.8° |
| NE2 | C2 | C3 | O3 | 178.5° | 58.6° |
| NE2 | C2 | C1 | C3 | 123.8° | 121.8° |
| NE2 | C2 | C1 | H1C1 | 55.8° | 58.1° |
| NE2 | C2 | C1 | H1C2 | 176.5° | 176.2° |
| NE2 | C2 | C3 | H3C1 | 62.2° | 61.4° |
| NE2 | C2 | C3 | H3C2 | 58.6° | 176.8° |
| O1 | C1 | C2 | O2 | 173.4° | 177.8° |
| O1 | C1 | C2 | H1C1 | 119.2° | 121.6° |
| O1 | C1 | C2 | H1C2 | 120.0° | 120.4° |
| O1 | C1 | H1C1 | H1C2 | 119.5° | 116.0° |
| O1 | C1 | C2 | C3 | 60.3° | 58.4° |
| H1 | O1 | C1 | C2 | 38.0° | 109.5° |
| H1 | O1 | C1 | H1C1 | 81.2° | 127.4° |
| H1 | O1 | C1 | H1C2 | 158.0° | 12.4° |
| O2 | C2 | C3 | O3 | 55.1° | 61.7° |
| O2 | C2 | C1 | C3 | 113.0° | 119.4° |
| O2 | C2 | C1 | H1C1 | 67.4° | 60.6° |
| O2 | C2 | C1 | H1C2 | 53.4° | 57.4° |
| O2 | C2 | C3 | H3C1 | 64.1° | 178.3° |
| O2 | C2 | C3 | H3C2 | 175.1° | 56.5° |
| H4 | O2 | C2 | C1 | 35.6° | 172.1° |
| H4 | O2 | C2 | C3 | 81.4° | 66.6° |
| O3 | C3 | C2 | C1 | 56.9° | 179.9° |
| O3 | C3 | C2 | H3C1 | 119.3° | 120.0° |
| O3 | C3 | C2 | H3C2 | 120.0° | 118.3° |
| O3 | C3 | H3C1 | H3C2 | 119.5° | 116.3° |
| H3 | O3 | C3 | C2 | 107.5° | 127.7° |
| H3 | O3 | C3 | H3C1 | 133.2° | 110.0° |
| H3 | O3 | C3 | H3C2 | 12.5° | 7.5° |
| C2 | C1 | H1C1 | H1C2 | 119.5° | 120.4° |
| C1 | C2 | C3 | H3C1 | 176.2° | 60.0° |
| C1 | C2 | C3 | H3C2 | 63.1° | 61.8° |
| H1C1 | C1 | C2 | C3 | 179.6° | 180.0° |
| H1C2 | C1 | C2 | C3 | 59.7° | 62.0° |
| C2 | C3 | H3C1 | H3C2 | 119.6° | 122.6° |
