A1JLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.27Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| N3 | N4 | doub | 1.29Å | 1.40Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| CB | OA | sing | 1.43Å | 1.45Å | |
| N4 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.41Å | Aromatic |
| OA | CD | sing | 1.43Å | 1.44Å | |
| C4 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
| C4 | CD | sing | 1.51Å | 1.51Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 145.3° | 120.0° |
| O | C | H4 | 107.4° | 120.0° |
| C | CA | CB | 117.6° | 109.5° |
| C | CA | H2 | 107.4° | 109.4° |
| C | CA | H3 | 107.4° | 109.5° |
| CA | C | H4 | 107.4° | 120.0° |
| CA | CB | OA | 109.6° | 109.5° |
| CB | CA | H2 | 107.4° | 109.4° |
| CB | CA | H3 | 107.4° | 109.5° |
| CA | CB | H5 | 109.4° | 109.5° |
| CA | CB | H6 | 109.4° | 109.5° |
| N4 | N3 | N2 | 108.2° | 110.1° |
| N3 | N4 | C4 | 108.3° | 108.9° |
| N3 | N2 | C5 | 107.3° | 108.3° |
| N3 | N2 | H9 | 126.4° | 125.8° |
| CB | OA | CD | 114.2° | 114.0° |
| OA | CB | H5 | 109.5° | 109.4° |
| OA | CB | H6 | 109.4° | 109.5° |
| N4 | C4 | C5 | 107.8° | 106.5° |
| N4 | C4 | CD | 125.6° | 126.8° |
| N2 | C5 | C4 | 107.5° | 106.1° |
| N2 | C5 | H1 | 126.2° | 126.9° |
| C5 | N2 | H9 | 126.3° | 125.9° |
| OA | CD | C4 | 110.4° | 109.5° |
| OA | CD | H7 | 109.2° | 109.5° |
| OA | CD | H8 | 109.2° | 109.5° |
| C5 | C4 | CD | 126.2° | 126.7° |
| C4 | C5 | H1 | 126.2° | 127.0° |
| C4 | CD | H7 | 109.2° | 109.4° |
| C4 | CD | H8 | 109.2° | 109.5° |
| H2 | CA | H3 | 109.4° | 109.5° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H7 | CD | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | H4 | 180.0° | 179.9° |
| O | C | CA | CB | 132.4° | 125.0° |
| O | C | CA | H2 | 11.2° | 115.1° |
| O | C | CA | H3 | 106.4° | 5.0° |
| C | CA | CB | H2 | 121.2° | 119.9° |
| C | CA | CB | H3 | 121.2° | 120.0° |
| C | CA | CB | OA | 123.5° | 180.0° |
| C | CA | H2 | H3 | 116.3° | 120.0° |
| C | CA | CB | H5 | 3.5° | 60.1° |
| C | CA | CB | H6 | 116.5° | 60.0° |
| CA | CB | OA | H5 | 120.0° | 120.0° |
| CA | CB | OA | H6 | 120.0° | 120.0° |
| CA | CB | OA | CD | 99.4° | 180.0° |
| CB | CA | H2 | H3 | 116.3° | 120.0° |
| CB | CA | C | H4 | 47.6° | 54.9° |
| CA | CB | H5 | H6 | 119.9° | 120.1° |
| N4 | N3 | N2 | C5 | 8.5° | 0.4° |
| N3 | N4 | C4 | C5 | 6.7° | 0.5° |
| N3 | N4 | C4 | CD | 166.2° | 179.8° |
| N4 | N3 | N2 | H9 | 171.5° | 179.6° |
| N2 | N3 | N4 | C4 | 9.7° | 0.5° |
| N3 | N2 | C5 | H9 | 180.0° | 180.0° |
| N3 | N2 | C5 | C4 | 4.4° | 0.1° |
| N3 | N2 | C5 | H1 | 175.5° | 180.0° |
| CB | OA | CD | C4 | 99.9° | 180.0° |
| OA | CB | CA | H2 | 115.3° | 60.0° |
| OA | CB | CA | H3 | 2.3° | 60.0° |
| OA | CB | H5 | H6 | 120.0° | 120.0° |
| CB | OA | CD | H7 | 140.0° | 60.0° |
| CB | OA | CD | H8 | 20.2° | 60.0° |
| N4 | C4 | C5 | N2 | 1.5° | 0.2° |
| N4 | C4 | CD | OA | 91.7° | 179.7° |
| N4 | C4 | C5 | CD | 172.8° | 179.8° |
| N4 | C4 | C5 | H1 | 178.5° | 179.7° |
| N4 | C4 | CD | H7 | 148.1° | 59.7° |
| N4 | C4 | CD | H8 | 28.4° | 60.3° |
| N2 | C5 | C4 | H1 | 180.0° | 179.9° |
| N2 | C5 | C4 | CD | 171.3° | 180.0° |
| OA | CD | C4 | C5 | 79.9° | 0.1° |
| OA | CD | C4 | H7 | 120.1° | 120.0° |
| OA | CD | C4 | H8 | 120.1° | 120.1° |
| CD | OA | CB | H5 | 140.6° | 60.0° |
| CD | OA | CB | H6 | 20.6° | 60.0° |
| OA | CD | H7 | H8 | 119.6° | 120.0° |
| C5 | C4 | CD | H7 | 40.3° | 120.1° |
| C5 | C4 | CD | H8 | 160.0° | 120.0° |
| C4 | C5 | N2 | H9 | 175.6° | 179.9° |
| CD | C4 | C5 | H1 | 8.7° | 0.1° |
| C4 | CD | H7 | H8 | 119.5° | 120.0° |
| H1 | C5 | N2 | H9 | 4.5° | 0.0° |
| H2 | CA | C | H4 | 168.8° | 65.0° |
| H2 | CA | CB | H5 | 124.7° | 180.0° |
| H2 | CA | CB | H6 | 4.7° | 60.0° |
| H3 | CA | C | H4 | 73.6° | 174.9° |
| H3 | CA | CB | H5 | 117.7° | 60.0° |
| H3 | CA | CB | H6 | 122.4° | 180.0° |
