5JW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA3 | CA1 | doub | 1.21Å | 1.27Å | |
| OA2 | CA1 | sing | 1.34Å | 1.26Å | |
| CA1 | CB5 | sing | 1.51Å | 1.52Å | |
| CB5 | O29 | sing | 1.43Å | 1.45Å | |
| O29 | N14 | sing | 1.42Å | 1.25Å | |
| N14 | C14 | doub | 1.30Å | 1.36Å | |
| C14 | C03 | sing | 1.48Å | 1.43Å | |
| C14 | C13 | sing | 1.48Å | 1.39Å | |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| CL1 | C16 | sing | 1.74Å | 1.78Å | |
| CL2 | C05 | sing | 1.74Å | 1.81Å | |
| C05 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C02 | C12 | sing | 1.48Å | 1.40Å | |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| CB5 | H7 | sing | 1.09Å | 1.10Å | |
| CB5 | H8 | sing | 1.09Å | 1.10Å | |
| OA2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA3 | CA1 | OA2 | 124.5° | 120.0° |
| OA3 | CA1 | CB5 | 111.9° | 120.0° |
| OA2 | CA1 | CB5 | 123.4° | 120.0° |
| CA1 | OA2 | H9 | 109.5° | 117.0° |
| CA1 | CB5 | O29 | 103.4° | 109.5° |
| CA1 | CB5 | H7 | 111.0° | 109.4° |
| CA1 | CB5 | H8 | 111.0° | 109.4° |
| CB5 | O29 | N14 | 116.5° | 114.0° |
| O29 | CB5 | H7 | 111.0° | 109.5° |
| O29 | CB5 | H8 | 111.0° | 109.5° |
| O29 | N14 | C14 | 120.6° | 120.0° |
| N14 | C14 | C03 | 128.0° | 126.5° |
| N14 | C14 | C13 | 120.8° | 126.5° |
| C03 | C14 | C13 | 111.2° | 107.0° |
| C14 | C03 | C04 | 134.2° | 132.3° |
| C14 | C03 | C02 | 104.8° | 107.8° |
| C14 | C13 | C15 | 131.9° | 132.3° |
| C14 | C13 | C12 | 105.4° | 107.8° |
| C03 | C04 | C05 | 118.6° | 120.0° |
| C04 | C03 | C02 | 120.9° | 119.8° |
| C03 | C04 | H6 | 120.7° | 120.0° |
| C04 | C05 | CL2 | 120.9° | 119.9° |
| C04 | C05 | C06 | 119.5° | 120.2° |
| C05 | C04 | H6 | 120.7° | 120.0° |
| C13 | C15 | C16 | 115.8° | 119.9° |
| C15 | C13 | C12 | 122.7° | 119.9° |
| C13 | C15 | H1 | 122.1° | 120.1° |
| C15 | C16 | CL1 | 115.8° | 119.9° |
| C15 | C16 | C17 | 122.3° | 120.3° |
| C16 | C15 | H1 | 122.1° | 120.1° |
| C03 | C02 | C12 | 109.1° | 108.7° |
| C03 | C02 | C01 | 121.5° | 119.5° |
| C13 | C12 | C02 | 109.5° | 108.7° |
| C13 | C12 | C18 | 120.8° | 119.5° |
| CL1 | C16 | C17 | 121.7° | 119.8° |
| CL2 | C05 | C06 | 119.6° | 119.9° |
| C05 | C06 | C01 | 121.1° | 120.4° |
| C05 | C06 | H5 | 119.5° | 119.7° |
| C16 | C17 | C18 | 119.7° | 120.4° |
| C16 | C17 | H2 | 120.2° | 119.8° |
| C12 | C02 | C01 | 129.5° | 131.8° |
| C02 | C12 | C18 | 129.7° | 131.8° |
| C02 | C01 | C06 | 118.4° | 120.0° |
| C02 | C01 | H4 | 120.8° | 120.0° |
| C12 | C18 | C17 | 118.6° | 120.0° |
| C12 | C18 | H3 | 120.7° | 120.0° |
| C06 | C01 | H4 | 120.8° | 119.9° |
| C01 | C06 | H5 | 119.4° | 119.8° |
| C18 | C17 | H2 | 120.1° | 119.8° |
| C17 | C18 | H3 | 120.7° | 120.0° |
| H7 | CB5 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA3 | CA1 | OA2 | CB5 | 175.2° | 179.9° |
| OA3 | CA1 | CB5 | O29 | 51.2° | 0.0° |
| OA3 | CA1 | CB5 | H7 | 67.9° | 120.0° |
| OA3 | CA1 | CB5 | H8 | 170.2° | 120.0° |
| OA3 | CA1 | OA2 | H9 | 0.0° | 0.1° |
| OA2 | CA1 | CB5 | O29 | 133.1° | 179.9° |
| OA2 | CA1 | CB5 | H7 | 107.9° | 60.0° |
| OA2 | CA1 | CB5 | H8 | 14.0° | 60.0° |
| CA1 | CB5 | O29 | H7 | 119.0° | 120.0° |
| CA1 | CB5 | O29 | H8 | 119.0° | 120.0° |
| CA1 | CB5 | O29 | N14 | 138.8° | 180.0° |
| CA1 | CB5 | H7 | H8 | 122.8° | 119.9° |
| CB5 | CA1 | OA2 | H9 | 175.2° | 180.0° |
| CB5 | O29 | N14 | C14 | 104.0° | 180.0° |
| O29 | CB5 | H7 | H8 | 122.8° | 120.0° |
| O29 | N14 | C14 | C03 | 0.7° | 180.0° |
| O29 | N14 | C14 | C13 | 178.1° | 0.7° |
| N14 | O29 | CB5 | H7 | 19.8° | 60.0° |
| N14 | O29 | CB5 | H8 | 102.2° | 60.0° |
| N14 | C14 | C03 | C13 | 178.9° | 179.4° |
| N14 | C14 | C03 | C04 | 2.8° | 0.5° |
| N14 | C14 | C13 | C15 | 0.6° | 0.2° |
| N14 | C14 | C03 | C02 | 179.5° | 180.0° |
| N14 | C14 | C13 | C12 | 179.4° | 179.8° |
| C14 | C03 | C04 | C02 | 177.4° | 179.4° |
| C14 | C03 | C04 | C05 | 179.1° | 179.3° |
| C03 | C14 | C13 | C15 | 179.6° | 179.7° |
| C03 | C14 | C13 | C12 | 0.4° | 0.4° |
| C14 | C03 | C02 | C12 | 0.5° | 0.5° |
| C14 | C03 | C02 | C01 | 179.9° | 179.5° |
| C14 | C03 | C04 | H6 | 0.9° | 0.0° |
| C13 | C14 | C03 | C04 | 178.3° | 180.0° |
| C14 | C13 | C15 | C12 | 179.9° | 179.9° |
| C14 | C13 | C15 | C16 | 178.7° | 180.0° |
| C13 | C14 | C03 | C02 | 0.6° | 0.5° |
| C14 | C13 | C12 | C02 | 0.0° | 0.1° |
| C14 | C13 | C12 | C18 | 180.0° | 179.8° |
| C14 | C13 | C15 | H1 | 1.3° | 0.1° |
| C03 | C04 | C05 | H6 | 180.0° | 179.3° |
| C03 | C04 | C05 | CL2 | 178.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.9° | 0.1° |
| C04 | C03 | C02 | C12 | 178.6° | 180.0° |
| C04 | C03 | C02 | C01 | 2.0° | 0.1° |
| C05 | C04 | C03 | C02 | 1.7° | 0.1° |
| C04 | C05 | CL2 | C06 | 179.8° | 179.9° |
| C04 | C05 | C06 | C01 | 2.3° | 0.1° |
| C04 | C05 | C06 | H5 | 177.6° | 180.0° |
| C13 | C15 | C16 | H1 | 180.0° | 180.0° |
| C13 | C15 | C16 | CL1 | 177.5° | 179.9° |
| C13 | C15 | C16 | C17 | 2.2° | 0.2° |
| C15 | C13 | C12 | C02 | 179.9° | 179.9° |
| C15 | C13 | C12 | C18 | 0.0° | 0.2° |
| C16 | C15 | C13 | C12 | 1.3° | 0.0° |
| C15 | C16 | CL1 | C17 | 175.3° | 179.8° |
| C15 | C16 | C17 | C18 | 2.0° | 0.2° |
| C15 | C16 | C17 | H2 | 178.0° | 179.7° |
| C03 | C02 | C12 | C13 | 0.3° | 0.2° |
| C03 | C02 | C12 | C01 | 179.3° | 180.0° |
| C03 | C02 | C12 | C18 | 179.6° | 179.9° |
| C03 | C02 | C01 | C06 | 2.4° | 0.1° |
| C03 | C02 | C01 | H4 | 177.6° | 180.0° |
| C02 | C03 | C04 | H6 | 178.3° | 179.4° |
| C13 | C12 | C02 | C18 | 179.9° | 179.9° |
| C13 | C12 | C02 | C01 | 179.6° | 179.7° |
| C13 | C12 | C18 | C17 | 0.3° | 0.2° |
| C12 | C13 | C15 | H1 | 178.8° | 180.0° |
| C13 | C12 | C18 | H3 | 179.6° | 179.7° |
| CL1 | C16 | C17 | C18 | 177.0° | 180.0° |
| CL1 | C16 | C15 | H1 | 2.5° | 0.0° |
| CL1 | C16 | C17 | H2 | 2.9° | 0.1° |
| CL2 | C05 | C06 | C01 | 177.5° | 180.0° |
| CL2 | C05 | C06 | H5 | 2.5° | 0.1° |
| CL2 | C05 | C04 | H6 | 2.0° | 0.6° |
| C05 | C06 | C01 | C02 | 2.6° | 0.1° |
| C05 | C06 | C01 | H5 | 180.0° | 179.9° |
| C05 | C06 | C01 | H4 | 177.4° | 180.0° |
| C06 | C05 | C04 | H6 | 178.2° | 179.5° |
| C16 | C17 | C18 | C12 | 0.6° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.9° |
| C17 | C16 | C15 | H1 | 177.8° | 179.8° |
| C16 | C17 | C18 | H3 | 179.4° | 179.9° |
| C12 | C02 | C01 | C06 | 178.4° | 180.0° |
| C02 | C12 | C18 | C17 | 179.6° | 179.9° |
| C02 | C12 | C18 | H3 | 0.5° | 0.1° |
| C12 | C02 | C01 | H4 | 1.6° | 0.1° |
| C01 | C02 | C12 | C18 | 0.3° | 0.1° |
| C02 | C01 | C06 | H4 | 180.0° | 179.9° |
| C02 | C01 | C06 | H5 | 177.4° | 180.0° |
| C12 | C18 | C17 | H3 | 180.0° | 180.0° |
| C12 | C18 | C17 | H2 | 179.4° | 179.9° |
| H2 | C17 | C18 | H3 | 0.6° | 0.0° |
| H4 | C01 | C06 | H5 | 2.6° | 0.1° |
