HGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | N3 | doub | 1.31Å | 1.31Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| CA | N | sing | 1.47Å | 1.44Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.50Å | |
| HBA | CB | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| N9 | CG | sing | 1.47Å | 1.44Å | |
| HG | CG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| HN2A | N2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| HN1 | N1 | sing | 0.97Å | 1.00Å | |
| OXT | C | sing | 1.34Å | 1.30Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 122.9° | 121.9° |
| N1 | C2 | N2 | 117.5° | 119.0° |
| C2 | N1 | C6 | 125.9° | 120.4° |
| C2 | N1 | HN1 | 117.0° | 119.8° |
| N3 | C2 | N2 | 119.6° | 119.1° |
| C2 | N3 | C4 | 111.6° | 121.1° |
| C2 | N2 | HN2A | 111.2° | 120.0° |
| C2 | N2 | HN2 | 124.4° | 120.0° |
| O6 | C6 | C5 | 129.8° | 120.8° |
| O6 | C6 | N1 | 118.3° | 120.9° |
| C5 | C4 | N9 | 105.4° | 106.1° |
| C5 | C4 | N3 | 130.7° | 119.7° |
| C4 | C5 | N7 | 111.4° | 107.2° |
| C4 | C5 | C6 | 117.0° | 118.6° |
| N9 | C4 | N3 | 123.9° | 134.2° |
| C4 | N9 | C8 | 106.4° | 107.5° |
| C4 | N9 | CG | 127.3° | 126.2° |
| N7 | C5 | C6 | 131.5° | 134.2° |
| C5 | N7 | C8 | 103.6° | 109.4° |
| C5 | C6 | N1 | 111.9° | 118.3° |
| C6 | N1 | HN1 | 117.1° | 119.8° |
| N7 | C8 | H8 | 123.7° | 125.1° |
| N7 | C8 | N9 | 112.5° | 109.8° |
| H8 | C8 | N9 | 123.8° | 125.1° |
| C8 | N9 | CG | 126.2° | 126.3° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 110.6° | 109.4° |
| N | CA | C | 109.2° | 109.5° |
| N | CA | HA | 109.2° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 110.5° | 109.5° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | CG | 112.1° | 109.5° |
| CA | CB | HBA | 108.6° | 109.4° |
| CA | CB | HB | 108.0° | 109.5° |
| C | CA | HA | 109.4° | 109.5° |
| CA | C | OXT | 116.3° | 120.0° |
| CA | C | O | 119.9° | 120.1° |
| CG | CB | HBA | 108.6° | 109.5° |
| CG | CB | HB | 108.0° | 109.5° |
| CB | CG | N9 | 111.3° | 109.4° |
| CB | CG | HG | 108.9° | 109.4° |
| CB | CG | HGA | 108.5° | 109.5° |
| HBA | CB | HB | 111.5° | 109.5° |
| N9 | CG | HG | 108.9° | 109.5° |
| N9 | CG | HGA | 108.5° | 109.5° |
| HG | CG | HGA | 110.8° | 109.5° |
| HN2A | N2 | HN2 | 124.4° | 120.1° |
| OXT | C | O | 123.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | N2 | 180.0° | 179.7° |
| C2 | N1 | C6 | O6 | 178.8° | 179.8° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| C2 | N1 | C6 | C5 | 1.4° | 0.5° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.9° |
| N1 | C2 | N2 | HN2A | 0.0° | 0.3° |
| N1 | C2 | N2 | HN2 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 1.4° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| N3 | C2 | N1 | C6 | 0.7° | 0.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 179.9° |
| N3 | C2 | N2 | HN2 | 0.0° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.3° | 180.0° |
| N2 | C2 | N3 | C4 | 179.5° | 180.0° |
| N2 | C2 | N1 | C6 | 179.3° | 179.7° |
| C2 | N2 | HN2A | HN2 | 180.0° | 179.9° |
| N2 | C2 | N1 | HN1 | 0.6° | 0.3° |
| O6 | C6 | C5 | C4 | 178.2° | 180.0° |
| O6 | C6 | C5 | N7 | 3.7° | 0.7° |
| O6 | C6 | C5 | N1 | 179.8° | 179.3° |
| O6 | C6 | N1 | HN1 | 1.2° | 0.2° |
| C5 | C4 | N9 | N3 | 178.8° | 180.0° |
| C4 | C5 | N7 | C6 | 178.1° | 179.3° |
| C4 | C5 | C6 | N1 | 1.9° | 0.8° |
| C4 | C5 | N7 | C8 | 6.8° | 0.0° |
| C5 | C4 | N9 | C8 | 2.6° | 0.0° |
| C5 | C4 | N9 | CG | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 2.5° | 0.0° |
| N9 | C4 | C5 | C6 | 179.0° | 179.4° |
| C4 | N9 | C8 | N7 | 7.3° | 0.0° |
| C4 | N9 | C8 | H8 | 172.7° | 180.0° |
| C4 | N9 | C8 | CG | 176.6° | 180.0° |
| C4 | N9 | CG | CB | 87.6° | 85.0° |
| C4 | N9 | CG | HG | 152.4° | 35.0° |
| C4 | N9 | CG | HGA | 31.7° | 155.0° |
| N3 | C4 | C5 | N7 | 176.1° | 180.0° |
| N3 | C4 | C5 | C6 | 2.3° | 0.5° |
| N3 | C4 | N9 | C8 | 178.6° | 180.0° |
| N3 | C4 | N9 | CG | 2.0° | 0.0° |
| N7 | C5 | C6 | N1 | 176.1° | 180.0° |
| C5 | N7 | C8 | H8 | 171.5° | 180.0° |
| C5 | N7 | C8 | N9 | 8.5° | 0.0° |
| C6 | C5 | N7 | C8 | 175.1° | 179.3° |
| C5 | C6 | N1 | HN1 | 178.6° | 179.5° |
| N7 | C8 | H8 | N9 | 180.0° | 180.0° |
| N7 | C8 | N9 | CG | 176.1° | 180.0° |
| H8 | C8 | N9 | CG | 4.0° | 0.0° |
| C8 | N9 | CG | CB | 88.4° | 95.0° |
| C8 | N9 | CG | HG | 31.7° | 145.0° |
| C8 | N9 | CG | HGA | 152.4° | 25.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | C | 121.0° | 120.0° |
| N | CA | CB | HA | 119.4° | 120.0° |
| N | CA | C | HA | 119.5° | 120.0° |
| N | CA | CB | CG | 173.7° | 65.0° |
| N | CA | CB | HBA | 66.4° | 175.0° |
| N | CA | CB | HB | 54.8° | 55.0° |
| N | CA | C | OXT | 128.5° | 160.0° |
| N | CA | C | O | 51.9° | 20.0° |
| H | N | CA | CB | 54.0° | 60.0° |
| H | N | CA | C | 67.8° | 60.0° |
| H | N | CA | HA | 172.6° | 180.0° |
| H2 | N | CA | CB | 66.0° | 64.0° |
| H2 | N | CA | C | 172.2° | 176.1° |
| H2 | N | CA | HA | 52.6° | 56.0° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 119.9° |
| CA | CB | CG | HB | 118.9° | 120.0° |
| CA | CB | HBA | HB | 118.9° | 120.0° |
| CA | CB | CG | N9 | 169.9° | 180.0° |
| CA | CB | CG | HG | 70.1° | 60.0° |
| CA | CB | CG | HGA | 50.6° | 60.0° |
| CB | CA | C | OXT | 109.7° | 80.0° |
| CB | CA | C | O | 70.0° | 100.0° |
| C | CA | CB | CG | 52.6° | 175.1° |
| C | CA | CB | HBA | 172.6° | 55.1° |
| C | CA | CB | HB | 66.3° | 64.9° |
| CA | C | OXT | O | 179.6° | 180.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| HA | CA | CB | CG | 66.9° | 55.0° |
| HA | CA | CB | HBA | 53.1° | 65.0° |
| HA | CA | CB | HB | 174.2° | 175.0° |
| HA | CA | C | OXT | 9.0° | 40.0° |
| HA | CA | C | O | 171.4° | 140.0° |
| CG | CB | HBA | HB | 118.9° | 120.1° |
| CB | CG | N9 | HG | 120.0° | 120.0° |
| CB | CG | N9 | HGA | 119.3° | 120.0° |
| CB | CG | HG | HGA | 119.3° | 120.0° |
| HBA | CB | CG | N9 | 49.9° | 60.0° |
| HBA | CB | CG | HG | 169.9° | 60.0° |
| HBA | CB | CG | HGA | 69.4° | 180.0° |
| HB | CB | CG | N9 | 71.2° | 60.0° |
| HB | CB | CG | HG | 48.8° | 180.0° |
| HB | CB | CG | HGA | 169.5° | 60.0° |
| N9 | CG | HG | HGA | 119.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
