9DQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | C60 | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C61 | N65 | doub | 1.31Å | 1.31Å | Aromatic |
| C61 | N62 | sing | 1.35Å | 1.36Å | Aromatic |
| N65 | N64 | sing | 1.29Å | 1.39Å | Aromatic |
| N62 | N63 | sing | 1.29Å | 1.33Å | Aromatic |
| N64 | N63 | doub | 1.29Å | 1.38Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C60 | H3 | sing | 1.09Å | 1.10Å | |
| C60 | H4 | sing | 1.09Å | 1.10Å | |
| N62 | H5 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.3° | 120.0° |
| O | C | OXT | 123.3° | 120.0° |
| C | CA | C60 | 109.5° | 109.5° |
| C | CA | N | 110.0° | 109.4° |
| C | CA | HA | 105.3° | 109.5° |
| CA | C | OXT | 118.3° | 119.9° |
| C60 | CA | N | 119.8° | 109.5° |
| CA | C60 | C61 | 115.0° | 109.4° |
| C60 | CA | HA | 105.2° | 109.5° |
| CA | C60 | H3 | 108.1° | 109.5° |
| CA | C60 | H4 | 108.1° | 109.4° |
| N | CA | HA | 106.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C60 | C61 | N65 | 126.5° | 126.7° |
| C60 | C61 | N62 | 123.6° | 126.7° |
| C61 | C60 | H3 | 108.1° | 109.5° |
| C61 | C60 | H4 | 108.1° | 109.5° |
| N65 | C61 | N62 | 109.9° | 106.6° |
| C61 | N65 | N64 | 105.4° | 108.0° |
| C61 | N62 | N63 | 110.3° | 107.2° |
| C61 | N62 | H5 | 124.8° | 126.4° |
| N65 | N64 | N63 | 110.3° | 109.4° |
| N62 | N63 | N64 | 104.1° | 108.8° |
| N63 | N62 | H5 | 124.8° | 126.5° |
| H3 | C60 | H4 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
| C | OXT | HXT | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 179.7° |
| O | C | CA | C60 | 112.6° | 100.3° |
| O | C | CA | N | 113.9° | 19.7° |
| O | C | CA | HA | 0.1° | 139.7° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| C | CA | C60 | N | 128.3° | 120.0° |
| C | CA | C60 | HA | 112.7° | 120.0° |
| C | CA | N | HA | 113.4° | 120.0° |
| C | CA | C60 | C61 | 161.7° | 175.0° |
| C | CA | C60 | H3 | 40.8° | 65.0° |
| C | CA | C60 | H4 | 77.5° | 55.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| C60 | CA | N | HA | 118.6° | 120.0° |
| CA | C60 | C61 | H3 | 120.8° | 120.0° |
| CA | C60 | C61 | H4 | 120.8° | 120.0° |
| CA | C60 | C61 | N65 | 149.6° | 55.0° |
| CA | C60 | C61 | N62 | 30.7° | 125.3° |
| CA | C60 | H3 | H4 | 117.5° | 120.0° |
| C60 | CA | N | H | 51.9° | 59.9° |
| C60 | CA | N | H2 | 172.0° | 63.9° |
| C60 | CA | C | OXT | 67.6° | 80.0° |
| N | CA | C60 | C61 | 33.4° | 65.0° |
| N | CA | C60 | H3 | 87.4° | 55.0° |
| N | CA | C60 | H4 | 154.2° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 66.0° | 160.0° |
| C60 | C61 | N65 | N62 | 179.7° | 179.7° |
| C60 | C61 | N65 | N64 | 179.8° | 179.9° |
| C60 | C61 | N62 | N63 | 179.9° | 179.9° |
| C61 | C60 | CA | HA | 85.6° | 55.0° |
| C61 | C60 | H3 | H4 | 117.5° | 120.1° |
| C60 | C61 | N62 | H5 | 0.2° | 0.1° |
| N65 | C61 | N62 | N63 | 0.1° | 0.2° |
| C61 | N65 | N64 | N63 | 0.0° | 0.4° |
| N65 | C61 | C60 | H3 | 28.8° | 175.1° |
| N65 | C61 | C60 | H4 | 89.6° | 64.9° |
| N65 | C61 | N62 | H5 | 179.9° | 179.8° |
| N62 | C61 | N65 | N64 | 0.1° | 0.4° |
| C61 | N62 | N63 | H5 | 180.0° | 179.9° |
| C61 | N62 | N63 | N64 | 0.1° | 0.0° |
| N62 | C61 | C60 | H3 | 151.5° | 5.3° |
| N62 | C61 | C60 | H4 | 90.1° | 114.7° |
| N65 | N64 | N63 | N62 | 0.0° | 0.2° |
| N64 | N63 | N62 | H5 | 179.9° | 180.0° |
| HA | CA | C60 | H3 | 153.6° | 175.0° |
| HA | CA | C60 | H4 | 35.2° | 65.0° |
| HA | CA | N | H | 66.6° | 180.0° |
| HA | CA | N | H2 | 53.4° | 56.1° |
| HA | CA | C | OXT | 179.8° | 40.0° |
