STX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | CD | sing | 1.47Å | 1.50Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | C5 | sing | 1.47Å | 1.47Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| C5 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.41Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.31Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.41Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CD | 107.3° | 106.7° |
| CA | N | HN | 110.2° | 106.7° |
| N | CA | C | 111.9° | 109.4° |
| N | CA | HA1 | 108.1° | 109.5° |
| N | CA | HA2 | 108.7° | 109.5° |
| CD | N | HN | 110.2° | 106.7° |
| N | CD | HD1 | 109.5° | 109.4° |
| N | CD | HD2 | 109.5° | 109.4° |
| N | CD | HD3 | 109.5° | 109.5° |
| C | CA | HA1 | 108.1° | 109.5° |
| C | CA | HA2 | 108.7° | 109.4° |
| CA | C | O | 121.6° | 120.1° |
| CA | C | C5 | 116.6° | 120.0° |
| HA1 | CA | HA2 | 111.4° | 109.5° |
| O | C | C5 | 121.8° | 119.9° |
| C | C5 | N4 | 131.1° | 126.4° |
| C | C5 | O1 | 120.2° | 126.4° |
| HD1 | CD | HD2 | 109.5° | 109.5° |
| HD1 | CD | HD3 | 109.4° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| N4 | C5 | O1 | 108.7° | 107.3° |
| C5 | N4 | N3 | 109.2° | 109.1° |
| C5 | O1 | C2 | 103.7° | 106.4° |
| N4 | N3 | C2 | 109.8° | 109.5° |
| N3 | C2 | O1 | 108.5° | 107.7° |
| N3 | C2 | C6 | 132.6° | 126.2° |
| O1 | C2 | C6 | 118.9° | 126.1° |
| C2 | C6 | C7 | 109.8° | 109.5° |
| C2 | C6 | C8 | 110.2° | 109.5° |
| C2 | C6 | C9 | 107.5° | 109.5° |
| C7 | C6 | C8 | 109.2° | 109.5° |
| C7 | C6 | C9 | 109.4° | 109.5° |
| C6 | C7 | H71 | 109.5° | 109.5° |
| C6 | C7 | H72 | 109.4° | 109.5° |
| C6 | C7 | H73 | 109.5° | 109.5° |
| C8 | C6 | C9 | 110.7° | 109.4° |
| C6 | C8 | H81 | 109.5° | 109.5° |
| C6 | C8 | H82 | 109.5° | 109.5° |
| C6 | C8 | H83 | 109.5° | 109.5° |
| C6 | C9 | H91 | 109.4° | 109.4° |
| C6 | C9 | H92 | 109.5° | 109.5° |
| C6 | C9 | H93 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.4° |
| H81 | C8 | H83 | 109.4° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.4° |
| H92 | C9 | H93 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CD | HN | 120.0° | 113.8° |
| N | CA | C | HA1 | 119.0° | 120.0° |
| N | CA | C | HA2 | 120.0° | 120.0° |
| N | CA | HA1 | HA2 | 119.3° | 120.0° |
| N | CA | C | O | 69.3° | 0.0° |
| N | CA | C | C5 | 111.8° | 180.0° |
| CA | N | CD | HD1 | 146.2° | 180.0° |
| CA | N | CD | HD2 | 93.8° | 60.0° |
| CA | N | CD | HD3 | 26.2° | 60.0° |
| CD | N | CA | C | 141.8° | 180.0° |
| CD | N | CA | HA1 | 22.8° | 60.0° |
| CD | N | CA | HA2 | 98.2° | 60.1° |
| N | CD | HD1 | HD2 | 120.0° | 119.9° |
| N | CD | HD1 | HD3 | 120.0° | 120.0° |
| N | CD | HD2 | HD3 | 120.1° | 120.0° |
| HN | N | CA | C | 21.7° | 66.2° |
| HN | N | CA | HA1 | 97.2° | 173.8° |
| HN | N | CA | HA2 | 141.7° | 53.7° |
| HN | N | CD | HD1 | 26.2° | 66.2° |
| HN | N | CD | HD2 | 146.2° | 53.8° |
| HN | N | CD | HD3 | 93.8° | 173.7° |
| C | CA | HA1 | HA2 | 119.4° | 120.0° |
| CA | C | O | C5 | 178.9° | 180.0° |
| CA | C | C5 | N4 | 48.1° | 0.3° |
| CA | C | C5 | O1 | 131.9° | 180.0° |
| HA1 | CA | C | O | 49.7° | 120.0° |
| HA1 | CA | C | C5 | 129.3° | 60.0° |
| HA2 | CA | C | O | 170.7° | 120.0° |
| HA2 | CA | C | C5 | 8.2° | 60.0° |
| O | C | C5 | N4 | 133.0° | 179.7° |
| O | C | C5 | O1 | 47.0° | 0.0° |
| C | C5 | N4 | O1 | 180.0° | 179.7° |
| C | C5 | N4 | N3 | 179.9° | 179.8° |
| C | C5 | O1 | C2 | 179.9° | 180.0° |
| HD1 | CD | HD2 | HD3 | 119.9° | 120.1° |
| C5 | N4 | N3 | C2 | 0.1° | 0.4° |
| N4 | C5 | O1 | C2 | 0.1° | 0.3° |
| O1 | C5 | N4 | N3 | 0.1° | 0.4° |
| C5 | O1 | C2 | N3 | 0.0° | 0.0° |
| C5 | O1 | C2 | C6 | 179.8° | 179.9° |
| N4 | N3 | C2 | O1 | 0.0° | 0.2° |
| N4 | N3 | C2 | C6 | 179.9° | 179.8° |
| N3 | C2 | O1 | C6 | 179.9° | 180.0° |
| N3 | C2 | C6 | C7 | 26.5° | 60.0° |
| N3 | C2 | C6 | C8 | 146.9° | 180.0° |
| N3 | C2 | C6 | C9 | 92.3° | 60.1° |
| O1 | C2 | C6 | C7 | 153.6° | 120.0° |
| O1 | C2 | C6 | C8 | 33.2° | 0.0° |
| O1 | C2 | C6 | C9 | 87.5° | 119.9° |
| C2 | C6 | C7 | C8 | 121.0° | 120.0° |
| C2 | C6 | C7 | C9 | 117.7° | 120.0° |
| C2 | C6 | C8 | C9 | 118.7° | 120.0° |
| C2 | C6 | C7 | H71 | 105.3° | 60.0° |
| C2 | C6 | C7 | H72 | 134.7° | 180.0° |
| C2 | C6 | C7 | H73 | 14.7° | 60.0° |
| C2 | C6 | C8 | H81 | 59.2° | 60.0° |
| C2 | C6 | C8 | H82 | 179.2° | 180.0° |
| C2 | C6 | C8 | H83 | 60.8° | 60.0° |
| C2 | C6 | C9 | H91 | 28.9° | 60.0° |
| C2 | C6 | C9 | H92 | 148.9° | 180.0° |
| C2 | C6 | C9 | H93 | 91.0° | 59.9° |
| C7 | C6 | C8 | C9 | 120.5° | 120.0° |
| C6 | C7 | H71 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H73 | 120.0° | 120.0° |
| C6 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | C6 | C8 | H81 | 180.0° | 180.0° |
| C7 | C6 | C8 | H82 | 60.0° | 60.0° |
| C7 | C6 | C8 | H83 | 60.0° | 60.0° |
| C7 | C6 | C9 | H91 | 90.3° | 60.0° |
| C7 | C6 | C9 | H92 | 29.7° | 59.9° |
| C7 | C6 | C9 | H93 | 149.8° | 180.0° |
| C8 | C6 | C7 | H71 | 15.6° | 60.0° |
| C8 | C6 | C7 | H72 | 104.3° | 60.0° |
| C8 | C6 | C7 | H73 | 135.6° | 180.0° |
| C6 | C8 | H81 | H82 | 120.0° | 120.0° |
| C6 | C8 | H81 | H83 | 120.0° | 120.0° |
| C6 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C6 | C9 | H91 | 149.3° | 180.0° |
| C8 | C6 | C9 | H92 | 90.7° | 60.0° |
| C8 | C6 | C9 | H93 | 29.3° | 60.0° |
| C9 | C6 | C7 | H71 | 136.9° | 180.0° |
| C9 | C6 | C7 | H72 | 17.0° | 60.0° |
| C9 | C6 | C7 | H73 | 103.1° | 60.0° |
| C9 | C6 | C8 | H81 | 59.5° | 60.0° |
| C9 | C6 | C8 | H82 | 60.5° | 60.0° |
| C9 | C6 | C8 | H83 | 179.5° | 180.0° |
| C6 | C9 | H91 | H92 | 120.0° | 120.0° |
| C6 | C9 | H91 | H93 | 120.0° | 120.0° |
| C6 | C9 | H92 | H93 | 120.0° | 120.1° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 119.9° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
