99Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C03 | CA | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C12 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| CA | N | sing | 1.47Å | 1.41Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.52Å | |
| C08 | O10 | doub | 1.21Å | 1.26Å | |
| C08 | O09 | sing | 1.35Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O09 | H11 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 110.5° | 120.0° |
| O | C | OXT | 120.1° | 120.0° |
| C | CA | C03 | 116.2° | 109.5° |
| C | CA | N | 110.7° | 109.5° |
| CA | C | OXT | 126.5° | 120.0° |
| C | CA | HA | 105.1° | 109.5° |
| CA | C03 | C04 | 117.0° | 109.5° |
| C03 | CA | N | 112.7° | 109.5° |
| C03 | CA | HA | 105.1° | 109.5° |
| CA | C03 | H1 | 107.5° | 109.4° |
| CA | C03 | H3 | 107.6° | 109.5° |
| C03 | C04 | C12 | 118.1° | 119.8° |
| C03 | C04 | C05 | 121.7° | 119.9° |
| C04 | C03 | H1 | 107.6° | 109.5° |
| C04 | C03 | H3 | 107.5° | 109.5° |
| C04 | C12 | C11 | 120.3° | 120.2° |
| C12 | C04 | C05 | 120.1° | 120.3° |
| C04 | C12 | H7 | 119.9° | 119.9° |
| C12 | C11 | C07 | 120.0° | 119.8° |
| C12 | C11 | H6 | 120.0° | 120.1° |
| C11 | C12 | H7 | 119.9° | 119.9° |
| N | CA | HA | 106.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| C04 | C05 | C06 | 119.2° | 120.2° |
| C04 | C05 | H4 | 120.4° | 119.9° |
| C11 | C07 | C06 | 119.9° | 119.7° |
| C11 | C07 | C08 | 118.6° | 120.1° |
| C07 | C11 | H6 | 120.0° | 120.1° |
| C05 | C06 | C07 | 120.5° | 119.8° |
| C06 | C05 | H4 | 120.4° | 119.9° |
| C05 | C06 | H5 | 119.7° | 120.1° |
| C06 | C07 | C08 | 121.5° | 120.1° |
| C07 | C06 | H5 | 119.7° | 120.0° |
| C07 | C08 | O10 | 120.7° | 120.0° |
| C07 | C08 | O09 | 119.5° | 119.9° |
| O10 | C08 | O09 | 119.8° | 120.0° |
| C08 | O09 | H11 | 109.5° | 116.9° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | C03 | H3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 160.6° | 180.0° |
| O | C | CA | C03 | 137.7° | 100.0° |
| O | C | CA | N | 92.0° | 20.0° |
| O | C | CA | HA | 22.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | C03 | N | 129.3° | 120.0° |
| C | CA | C03 | HA | 115.6° | 120.0° |
| C | CA | C03 | C04 | 147.5° | 175.0° |
| C | CA | N | HA | 113.5° | 120.0° |
| C | CA | C03 | H1 | 91.4° | 55.0° |
| C | CA | C03 | H3 | 26.5° | 65.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 64.0° |
| CA | C | OXT | HXT | 158.9° | 180.0° |
| CA | C03 | C04 | H1 | 121.1° | 119.9° |
| CA | C03 | C04 | H3 | 121.1° | 120.0° |
| CA | C03 | C04 | C12 | 102.8° | 90.3° |
| C03 | CA | N | HA | 114.5° | 120.0° |
| CA | C03 | C04 | C05 | 78.7° | 89.9° |
| C03 | CA | C | OXT | 22.9° | 80.0° |
| CA | C03 | H1 | H3 | 116.6° | 120.0° |
| C03 | CA | N | H | 48.0° | 60.0° |
| C03 | CA | N | H2 | 72.0° | 176.0° |
| C03 | C04 | C12 | C05 | 178.5° | 179.8° |
| C03 | C04 | C12 | C11 | 179.0° | 179.7° |
| C04 | C03 | CA | N | 18.3° | 65.0° |
| C03 | C04 | C05 | C06 | 178.2° | 180.0° |
| C04 | C03 | CA | HA | 96.9° | 55.0° |
| C04 | C03 | H1 | H3 | 116.6° | 120.0° |
| C03 | C04 | C05 | H4 | 1.8° | 0.1° |
| C03 | C04 | C12 | H7 | 1.0° | 0.1° |
| C04 | C12 | C11 | H7 | 180.0° | 179.8° |
| C04 | C12 | C11 | C07 | 0.9° | 0.5° |
| C12 | C04 | C05 | C06 | 0.2° | 0.2° |
| C12 | C04 | C03 | H1 | 136.1° | 149.8° |
| C12 | C04 | C03 | H3 | 18.2° | 29.7° |
| C12 | C04 | C05 | H4 | 179.8° | 179.7° |
| C04 | C12 | C11 | H6 | 179.2° | 179.7° |
| C11 | C12 | C04 | C05 | 0.5° | 0.5° |
| C12 | C11 | C07 | H6 | 180.0° | 179.8° |
| C12 | C11 | C07 | C06 | 0.5° | 0.3° |
| C12 | C11 | C07 | C08 | 179.1° | 179.8° |
| N | CA | C | OXT | 107.3° | 160.0° |
| N | CA | C03 | H1 | 139.3° | 175.0° |
| N | CA | C03 | H3 | 102.8° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.6° | 0.0° |
| C05 | C04 | C03 | H1 | 42.3° | 30.0° |
| C05 | C04 | C03 | H3 | 160.2° | 150.1° |
| C04 | C05 | C06 | H5 | 179.4° | 180.0° |
| C05 | C04 | C12 | H7 | 179.5° | 179.7° |
| C11 | C07 | C06 | C05 | 0.2° | 0.0° |
| C11 | C07 | C06 | C08 | 179.6° | 180.0° |
| C11 | C07 | C08 | O10 | 28.7° | 180.0° |
| C11 | C07 | C08 | O09 | 148.3° | 0.0° |
| C11 | C07 | C06 | H5 | 179.8° | 180.0° |
| C07 | C11 | C12 | H7 | 179.1° | 179.7° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.8° | 180.0° |
| C06 | C07 | C08 | O10 | 151.7° | 0.0° |
| C06 | C07 | C08 | O09 | 31.2° | 180.0° |
| C07 | C06 | C05 | H4 | 179.4° | 180.0° |
| C06 | C07 | C11 | H6 | 179.5° | 179.9° |
| C07 | C08 | O10 | O09 | 177.0° | 180.0° |
| C08 | C07 | C06 | H5 | 0.2° | 0.0° |
| C08 | C07 | C11 | H6 | 0.9° | 0.0° |
| C07 | C08 | O09 | H11 | 177.1° | 180.0° |
| O10 | C08 | O09 | H11 | 0.0° | 0.0° |
| OXT | C | CA | HA | 138.5° | 40.0° |
| HA | CA | C03 | H1 | 24.2° | 65.0° |
| HA | CA | C03 | H3 | 142.1° | 175.0° |
| HA | CA | N | H | 66.5° | 180.0° |
| HA | CA | N | H2 | 173.5° | 56.0° |
| H4 | C05 | C06 | H5 | 0.6° | 0.0° |
| H6 | C11 | C12 | H7 | 0.9° | 0.1° |
