1U8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| C | C9 | sing | 1.51Å | 1.46Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| OD1 | CG | doub | 1.21Å | 1.25Å | |
| CG | OD2 | sing | 1.34Å | 1.27Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| OD2 | H7 | sing | 0.97Å | 0.95Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | O1 | sing | 1.45Å | 176.62Å | |
| O1 | C2 | sing | 1.35Å | 0.00Å | |
| C2 | O2 | doub | 1.21Å | 0.00Å | |
| C2 | C1 | sing | 1.48Å | 0.00Å | |
| C1 | C3 | sing | 1.40Å | 0.00Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C7 | C1 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | H10 | sing | 1.08Å | 0.00Å | |
| C5 | H11 | sing | 1.08Å | 0.00Å | |
| C6 | H12 | sing | 1.08Å | 0.00Å | |
| C7 | C8 | sing | 1.51Å | 0.00Å | |
| C3 | C10 | sing | 1.51Å | 0.00Å | |
| C8 | H3 | sing | 1.09Å | 0.00Å | |
| C8 | H13 | sing | 1.09Å | 0.00Å | |
| C8 | H14 | sing | 1.09Å | 0.00Å | |
| C10 | H15 | sing | 1.09Å | 0.00Å | |
| C10 | H16 | sing | 1.09Å | 0.00Å | |
| C10 | H17 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C9 | 119.6° | 120.0° |
| O | C | CA | 120.8° | 120.0° |
| CG | CB | CA | 111.3° | 109.5° |
| CB | CG | OD1 | 118.4° | 120.0° |
| CB | CG | OD2 | 118.9° | 120.0° |
| CG | CB | H5 | 109.0° | 109.5° |
| CG | CB | H6 | 109.0° | 109.4° |
| CB | CA | C | 112.6° | 109.5° |
| CB | CA | N | 108.2° | 109.5° |
| CB | CA | HA | 107.4° | 109.5° |
| CA | CB | H5 | 109.0° | 109.5° |
| CA | CB | H6 | 109.0° | 109.5° |
| C9 | C | CA | 119.1° | 120.0° |
| C | C9 | H8 | 120.5° | 109.5° |
| C | C9 | H9 | 120.5° | 109.5° |
| C | C9 | O1 | 56.9° | 109.5° |
| C | CA | N | 113.0° | 109.5° |
| C | CA | HA | 107.4° | 109.5° |
| OD1 | CG | OD2 | 122.6° | 120.0° |
| CG | OD2 | H7 | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 108.0° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.4° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | O1 | 120.5° | 109.4° |
| H9 | C9 | O1 | 120.5° | 109.5° |
| C9 | O1 | C2 | 90.0° | 117.0° |
| O1 | C2 | O2 | 90.0° | 120.0° |
| O1 | C2 | C1 | 90.0° | 120.0° |
| O2 | C2 | C1 | 90.0° | 120.0° |
| C2 | C1 | C3 | 90.0° | 120.2° |
| C2 | C1 | C7 | 90.0° | 120.1° |
| C1 | C3 | C4 | 90.0° | 119.9° |
| C3 | C1 | C7 | 90.0° | 119.7° |
| C1 | C3 | C10 | 90.0° | 120.1° |
| C3 | C4 | C5 | 90.0° | 120.1° |
| C3 | C4 | H10 | 90.0° | 119.9° |
| C4 | C3 | C10 | 90.0° | 120.1° |
| C4 | C5 | C6 | 90.0° | 120.3° |
| C5 | C4 | H10 | 90.0° | 120.0° |
| C4 | C5 | H11 | 90.0° | 119.8° |
| C5 | C6 | C7 | 90.0° | 120.2° |
| C6 | C5 | H11 | 90.0° | 119.9° |
| C5 | C6 | H12 | 90.0° | 119.9° |
| C6 | C7 | C1 | 90.0° | 119.8° |
| C7 | C6 | H12 | 90.0° | 119.9° |
| C6 | C7 | C8 | 90.0° | 120.1° |
| C1 | C7 | C8 | 90.0° | 120.1° |
| C7 | C8 | H3 | 90.0° | 109.4° |
| C7 | C8 | H13 | 90.0° | 109.5° |
| C7 | C8 | H14 | 90.0° | 109.4° |
| C3 | C10 | H15 | 90.0° | 109.5° |
| C3 | C10 | H16 | 90.0° | 109.4° |
| C3 | C10 | H17 | 90.0° | 109.4° |
| H3 | C8 | H13 | 90.0° | 109.5° |
| H3 | C8 | H14 | 90.0° | 109.5° |
| H13 | C8 | H14 | 90.0° | 109.5° |
| H15 | C10 | H16 | 90.0° | 109.5° |
| H15 | C10 | H17 | 90.0° | 109.5° |
| H16 | C10 | H17 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CB | 34.1° | 105.0° |
| O | C | C9 | CA | 172.7° | 180.0° |
| O | C | CA | N | 157.1° | 15.0° |
| O | C | CA | HA | 83.9° | 135.0° |
| O | C | C9 | H8 | 166.3° | 119.9° |
| O | C | C9 | H9 | 50.9° | 120.0° |
| O | C | C9 | O1 | 57.7° | 0.0° |
| CG | CB | CA | H5 | 120.3° | 120.1° |
| CG | CB | CA | H6 | 120.3° | 119.9° |
| CG | CB | CA | C | 157.8° | 175.0° |
| CB | CG | OD1 | OD2 | 177.9° | 179.9° |
| CG | CB | CA | N | 76.5° | 65.0° |
| CG | CB | CA | HA | 39.8° | 54.9° |
| CG | CB | H5 | H6 | 119.2° | 119.9° |
| CB | CG | OD2 | H7 | 177.9° | 180.0° |
| CB | CA | C | C9 | 138.5° | 75.0° |
| CB | CA | C | N | 123.0° | 120.0° |
| CB | CA | C | HA | 118.0° | 120.0° |
| CA | CB | CG | OD1 | 156.1° | 0.1° |
| CA | CB | CG | OD2 | 25.9° | 180.0° |
| CB | CA | N | HA | 115.9° | 120.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 119.1° | 120.0° |
| C9 | C | CA | N | 15.6° | 165.0° |
| C9 | C | CA | HA | 103.4° | 45.0° |
| C | C9 | H8 | H9 | 146.4° | 120.0° |
| C | C9 | H8 | O1 | 67.2° | 120.0° |
| C | C9 | H9 | O1 | 67.1° | 120.0° |
| C | C9 | O1 | C2 | 90.0° | 180.0° |
| C | CA | N | HA | 118.6° | 120.0° |
| C | CA | N | H | 54.6° | 64.0° |
| C | CA | N | H2 | 65.4° | 60.0° |
| C | CA | CB | H5 | 37.6° | 64.9° |
| C | CA | CB | H6 | 81.8° | 55.0° |
| CA | C | C9 | H8 | 6.4° | 60.0° |
| CA | C | C9 | H9 | 136.4° | 60.0° |
| CA | C | C9 | O1 | 115.0° | 180.0° |
| OD1 | CG | CB | H5 | 83.6° | 120.0° |
| OD1 | CG | CB | H6 | 35.9° | 120.0° |
| OD1 | CG | OD2 | H7 | 0.0° | 0.0° |
| OD2 | CG | CB | H5 | 94.4° | 59.9° |
| OD2 | CG | CB | H6 | 146.2° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 163.2° | 55.1° |
| N | CA | CB | H6 | 43.8° | 175.0° |
| H | N | CA | HA | 64.1° | 56.0° |
| H2 | N | CA | HA | 175.9° | 180.0° |
| HA | CA | CB | H5 | 80.5° | 175.0° |
| HA | CA | CB | H6 | 160.1° | 65.0° |
| H8 | C9 | H9 | O1 | 146.4° | 120.0° |
| H8 | C9 | O1 | C2 | 90.0° | 60.0° |
| H9 | C9 | O1 | C2 | 90.0° | 60.0° |
| C9 | O1 | C2 | O2 | 90.0° | 0.0° |
| C9 | O1 | C2 | C1 | 90.0° | 179.9° |
| O1 | C2 | O2 | C1 | 90.0° | 179.9° |
| O1 | C2 | C1 | C3 | 90.0° | 90.0° |
| O1 | C2 | C1 | C7 | 90.0° | 89.8° |
| O2 | C2 | C1 | C3 | 90.0° | 89.9° |
| O2 | C2 | C1 | C7 | 90.0° | 90.3° |
| C2 | C1 | C3 | C7 | 90.0° | 179.8° |
| C2 | C1 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | C7 | C6 | 90.0° | 179.7° |
| C2 | C1 | C7 | C8 | 90.0° | 0.3° |
| C2 | C1 | C3 | C10 | 90.0° | 0.0° |
| C1 | C3 | C4 | C10 | 90.0° | 179.9° |
| C1 | C3 | C4 | C5 | 90.0° | 0.1° |
| C3 | C1 | C7 | C6 | 90.0° | 0.5° |
| C1 | C3 | C4 | H10 | 90.0° | 180.0° |
| C3 | C1 | C7 | C8 | 90.0° | 179.9° |
| C1 | C3 | C10 | H15 | 90.0° | 90.0° |
| C1 | C3 | C10 | H16 | 90.0° | 150.0° |
| C1 | C3 | C10 | H17 | 90.0° | 30.1° |
| C3 | C4 | C5 | H10 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.0° |
| C4 | C3 | C1 | C7 | 90.0° | 0.2° |
| C3 | C4 | C5 | H11 | 90.0° | 179.9° |
| C4 | C3 | C10 | H15 | 90.0° | 90.0° |
| C4 | C3 | C10 | H16 | 90.0° | 30.1° |
| C4 | C3 | C10 | H17 | 90.0° | 150.0° |
| C4 | C5 | C6 | H11 | 90.0° | 179.9° |
| C4 | C5 | C6 | C7 | 90.0° | 0.3° |
| C4 | C5 | C6 | H12 | 90.0° | 180.0° |
| C5 | C4 | C3 | C10 | 90.0° | 180.0° |
| C5 | C6 | C7 | H12 | 90.0° | 179.7° |
| C5 | C6 | C7 | C1 | 90.0° | 0.6° |
| C6 | C5 | C4 | H10 | 90.0° | 180.0° |
| C5 | C6 | C7 | C8 | 90.0° | 180.0° |
| C6 | C7 | C1 | C8 | 90.0° | 179.4° |
| C7 | C6 | C5 | H11 | 90.0° | 179.7° |
| C6 | C7 | C8 | H3 | 90.0° | 90.0° |
| C6 | C7 | C8 | H13 | 90.0° | 150.0° |
| C6 | C7 | C8 | H14 | 90.0° | 30.0° |
| C1 | C7 | C6 | H12 | 90.0° | 179.7° |
| C7 | C1 | C3 | C10 | 90.0° | 179.7° |
| C1 | C7 | C8 | H3 | 90.0° | 90.6° |
| C1 | C7 | C8 | H13 | 90.0° | 29.4° |
| C1 | C7 | C8 | H14 | 90.0° | 149.5° |
| H10 | C4 | C5 | H11 | 90.0° | 0.0° |
| H10 | C4 | C3 | C10 | 90.0° | 0.0° |
| H11 | C5 | C6 | H12 | 90.0° | 0.1° |
| H12 | C6 | C7 | C8 | 90.0° | 0.3° |
| C7 | C8 | H3 | H13 | 90.0° | 120.0° |
| C7 | C8 | H3 | H14 | 90.0° | 119.9° |
| C7 | C8 | H13 | H14 | 90.0° | 120.0° |
| C3 | C10 | H15 | H16 | 90.0° | 120.0° |
| C3 | C10 | H15 | H17 | 90.0° | 120.0° |
| C3 | C10 | H16 | H17 | 90.0° | 119.9° |
| H3 | C8 | H13 | H14 | 90.0° | 120.0° |
| H15 | C10 | H16 | H17 | 90.0° | 120.0° |
