35Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | doub | 1.22Å | 1.22Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| N3 | C7 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N4 | N5 | sing | 1.29Å | 1.43Å | Aromatic |
| N4 | C8 | doub | 1.32Å | 1.36Å | Aromatic |
| CA | C6 | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N5 | N6 | doub | 1.29Å | 1.32Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N6 | N7 | sing | 1.29Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.47Å | |
| N7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | N3 | 126.3° | 120.0° |
| O1 | C7 | C8 | 113.1° | 120.0° |
| O | C | CA | 118.6° | 120.0° |
| O | C | OXT | 120.7° | 120.0° |
| C6 | N3 | C7 | 130.2° | 120.0° |
| C6 | N3 | HN3 | 114.9° | 120.0° |
| N3 | C6 | CA | 107.6° | 109.5° |
| N3 | C6 | H6 | 110.1° | 109.5° |
| N3 | C6 | H6A | 110.1° | 109.5° |
| C7 | N3 | HN3 | 114.9° | 120.0° |
| N3 | C7 | C8 | 120.5° | 120.0° |
| CA | C | OXT | 120.7° | 120.0° |
| C | CA | C6 | 114.9° | 109.5° |
| C | CA | N | 107.1° | 109.4° |
| C | CA | HA | 106.6° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| N5 | N4 | C8 | 107.1° | 107.9° |
| N4 | N5 | N6 | 108.3° | 109.8° |
| N4 | C8 | C7 | 126.6° | 126.8° |
| N4 | C8 | N7 | 109.5° | 106.3° |
| C6 | CA | N | 106.6° | 109.5° |
| C6 | CA | HA | 107.0° | 109.5° |
| CA | C6 | H6 | 110.1° | 109.5° |
| CA | C6 | H6A | 110.1° | 109.4° |
| N | CA | HA | 114.9° | 109.5° |
| CA | N | H | 109.5° | 111.1° |
| CA | N | H2 | 109.5° | 111.0° |
| N5 | N6 | N7 | 108.2° | 109.1° |
| H6 | C6 | H6A | 108.8° | 109.5° |
| N6 | N7 | C8 | 106.8° | 106.9° |
| N6 | N7 | HN7 | 126.6° | 126.5° |
| C7 | C8 | N7 | 123.9° | 126.8° |
| C8 | N7 | HN7 | 126.6° | 126.6° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | N3 | C6 | 0.4° | 0.1° |
| O1 | C7 | N3 | C8 | 179.3° | 180.0° |
| O1 | C7 | N3 | HN3 | 179.6° | 179.7° |
| O1 | C7 | C8 | N4 | 178.1° | 180.0° |
| O1 | C7 | C8 | N7 | 2.9° | 0.1° |
| O | C | CA | OXT | 180.0° | 179.9° |
| O | C | CA | C6 | 112.8° | 100.0° |
| O | C | CA | N | 5.4° | 20.0° |
| O | C | CA | HA | 128.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C6 | N3 | C7 | HN3 | 180.0° | 179.8° |
| N3 | C6 | CA | C | 42.8° | 175.0° |
| N3 | C6 | CA | H6 | 120.0° | 120.0° |
| N3 | C6 | CA | H6A | 120.0° | 120.0° |
| N3 | C6 | CA | N | 75.6° | 55.0° |
| N3 | C6 | CA | HA | 161.0° | 65.0° |
| N3 | C6 | H6 | H6A | 120.7° | 120.0° |
| C6 | N3 | C7 | C8 | 178.9° | 180.0° |
| N3 | C7 | C8 | N4 | 2.5° | 0.0° |
| C7 | N3 | C6 | CA | 71.9° | 180.0° |
| C7 | N3 | C6 | H6 | 48.1° | 60.0° |
| C7 | N3 | C6 | H6A | 168.1° | 60.0° |
| N3 | C7 | C8 | N7 | 176.4° | 180.0° |
| HN3 | N3 | C6 | CA | 108.1° | 0.2° |
| HN3 | N3 | C6 | H6 | 131.9° | 119.8° |
| HN3 | N3 | C6 | H6A | 11.9° | 120.2° |
| HN3 | N3 | C7 | C8 | 1.1° | 0.2° |
| C | CA | C6 | N | 118.4° | 120.0° |
| C | CA | C6 | HA | 118.2° | 120.0° |
| C | CA | N | HA | 118.2° | 119.9° |
| C | CA | C6 | H6 | 162.8° | 65.0° |
| C | CA | C6 | H6A | 77.2° | 55.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CA | C6 | 67.2° | 80.0° |
| OXT | C | CA | N | 174.6° | 160.0° |
| OXT | C | CA | HA | 51.2° | 40.1° |
| N4 | N5 | N6 | N7 | 0.8° | 0.0° |
| N5 | N4 | C8 | C7 | 179.1° | 180.0° |
| N5 | N4 | C8 | N7 | 0.1° | 0.0° |
| C8 | N4 | N5 | N6 | 0.5° | 0.0° |
| N4 | C8 | N7 | N6 | 0.5° | 0.1° |
| N4 | C8 | C7 | N7 | 178.9° | 179.9° |
| N4 | C8 | N7 | HN7 | 179.5° | 180.0° |
| C6 | CA | N | HA | 118.4° | 120.0° |
| CA | C6 | H6 | H6A | 120.8° | 120.0° |
| C6 | CA | N | H | 56.6° | 60.0° |
| C6 | CA | N | H2 | 176.6° | 64.0° |
| N | CA | C6 | H6 | 44.4° | 175.0° |
| N | CA | C6 | H6A | 164.4° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HA | CA | C6 | H6 | 79.0° | 55.0° |
| HA | CA | C6 | H6A | 41.0° | 175.0° |
| HA | CA | N | H | 61.8° | 179.9° |
| HA | CA | N | H2 | 58.2° | 56.1° |
| N5 | N6 | N7 | C8 | 0.9° | 0.1° |
| N5 | N6 | N7 | HN7 | 179.2° | 180.0° |
| N6 | N7 | C8 | C7 | 179.6° | 180.0° |
| N6 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C7 | C8 | N7 | HN7 | 0.4° | 0.1° |
