5FQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | N06 | sing | 1.47Å | 1.45Å | |
| N06 | C07 | sing | 1.35Å | 1.46Å | |
| O08 | C07 | doub | 1.21Å | 1.21Å | |
| C07 | C09 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | N11 | sing | 1.47Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| N06 | H12 | sing | 0.97Å | 1.00Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 1.01Å | 1.00Å | |
| N11 | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.6° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.4° | 109.5° |
| C01 | C02 | H5 | 108.5° | 109.4° |
| C02 | C03 | C04 | 112.0° | 109.4° |
| C03 | C02 | H4 | 108.5° | 109.5° |
| C03 | C02 | H5 | 108.4° | 109.5° |
| C02 | C03 | H6 | 108.9° | 109.5° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C03 | C04 | C05 | 112.6° | 109.4° |
| C04 | C03 | H6 | 108.8° | 109.5° |
| C04 | C03 | H7 | 108.8° | 109.5° |
| C03 | C04 | H8 | 108.7° | 109.4° |
| C03 | C04 | H9 | 108.7° | 109.5° |
| C04 | C05 | N06 | 111.4° | 109.4° |
| C05 | C04 | H8 | 108.7° | 109.5° |
| C05 | C04 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 109.0° | 109.5° |
| C04 | C05 | H11 | 109.0° | 109.5° |
| C05 | N06 | C07 | 122.8° | 120.0° |
| N06 | C05 | H10 | 109.0° | 109.5° |
| N06 | C05 | H11 | 109.0° | 109.5° |
| C05 | N06 | H12 | 118.6° | 120.0° |
| N06 | C07 | O08 | 120.1° | 120.0° |
| N06 | C07 | C09 | 120.1° | 120.0° |
| C07 | N06 | H12 | 118.6° | 120.0° |
| O08 | C07 | C09 | 119.8° | 120.0° |
| C07 | C09 | C10 | 110.4° | 109.5° |
| C07 | C09 | N11 | 111.2° | 109.5° |
| C07 | C09 | H13 | 108.5° | 109.5° |
| C10 | C09 | N11 | 108.4° | 109.5° |
| C10 | C09 | H13 | 108.6° | 109.5° |
| C09 | C10 | H14 | 109.5° | 109.5° |
| C09 | C10 | H15 | 109.5° | 109.5° |
| C09 | C10 | H16 | 109.5° | 109.5° |
| N11 | C09 | H13 | 109.7° | 109.4° |
| C09 | N11 | H17 | 109.5° | 111.0° |
| C09 | N11 | H18 | 109.5° | 111.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| H17 | N11 | H18 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.6° | 120.0° |
| C01 | C02 | C03 | H5 | 120.6° | 120.0° |
| C01 | C02 | C03 | C04 | 99.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.1° | 120.0° |
| C01 | C02 | C03 | H6 | 20.7° | 60.0° |
| C01 | C02 | C03 | H7 | 140.0° | 60.1° |
| C02 | C03 | C04 | H6 | 120.4° | 120.0° |
| C02 | C03 | C04 | H7 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 58.0° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.1° | 120.0° |
| C02 | C03 | H6 | H7 | 118.9° | 120.0° |
| C02 | C03 | C04 | H8 | 62.5° | 60.0° |
| C02 | C03 | C04 | H9 | 178.5° | 60.0° |
| C03 | C04 | C05 | H8 | 120.5° | 120.0° |
| C03 | C04 | C05 | H9 | 120.5° | 120.0° |
| C03 | C04 | C05 | N06 | 116.5° | 180.0° |
| C04 | C03 | C02 | H4 | 139.8° | 60.0° |
| C04 | C03 | C02 | H5 | 21.0° | 60.0° |
| C04 | C03 | H6 | H7 | 118.8° | 120.0° |
| C03 | C04 | H8 | H9 | 118.6° | 120.0° |
| C03 | C04 | C05 | H10 | 3.9° | 60.0° |
| C03 | C04 | C05 | H11 | 123.3° | 60.0° |
| C04 | C05 | N06 | H10 | 120.3° | 120.0° |
| C04 | C05 | N06 | H11 | 120.3° | 120.0° |
| C04 | C05 | N06 | C07 | 137.2° | 180.0° |
| C05 | C04 | C03 | H6 | 178.4° | 60.0° |
| C05 | C04 | C03 | H7 | 62.4° | 60.0° |
| C05 | C04 | H8 | H9 | 118.6° | 120.0° |
| C04 | C05 | H10 | H11 | 119.1° | 120.0° |
| C04 | C05 | N06 | H12 | 42.9° | 0.1° |
| C05 | N06 | C07 | H12 | 180.0° | 179.9° |
| C05 | N06 | C07 | O08 | 0.1° | 0.0° |
| C05 | N06 | C07 | C09 | 180.0° | 180.0° |
| N06 | C05 | C04 | H8 | 123.1° | 60.0° |
| N06 | C05 | C04 | H9 | 4.0° | 60.0° |
| N06 | C05 | H10 | H11 | 119.1° | 120.0° |
| N06 | C07 | O08 | C09 | 179.9° | 180.0° |
| N06 | C07 | C09 | C10 | 87.4° | 80.0° |
| N06 | C07 | C09 | N11 | 152.2° | 160.0° |
| C07 | N06 | C05 | H10 | 102.5° | 60.0° |
| C07 | N06 | C05 | H11 | 16.9° | 59.9° |
| N06 | C07 | C09 | H13 | 31.4° | 40.0° |
| O08 | C07 | C09 | C10 | 92.5° | 100.0° |
| O08 | C07 | C09 | N11 | 27.9° | 20.0° |
| O08 | C07 | N06 | H12 | 179.9° | 180.0° |
| O08 | C07 | C09 | H13 | 148.7° | 140.0° |
| C07 | C09 | C10 | N11 | 122.1° | 120.0° |
| C07 | C09 | C10 | H13 | 118.8° | 120.0° |
| C07 | C09 | N11 | H13 | 120.0° | 120.0° |
| C09 | C07 | N06 | H12 | 0.0° | 0.0° |
| C07 | C09 | C10 | H14 | 180.0° | 59.9° |
| C07 | C09 | C10 | H15 | 60.0° | 180.0° |
| C07 | C09 | C10 | H16 | 60.0° | 60.0° |
| C07 | C09 | N11 | H17 | 180.0° | 60.0° |
| C07 | C09 | N11 | H18 | 60.0° | 176.0° |
| C10 | C09 | N11 | H13 | 118.5° | 120.0° |
| C09 | C10 | H14 | H15 | 120.0° | 120.1° |
| C09 | C10 | H14 | H16 | 120.0° | 119.9° |
| C09 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C09 | N11 | H17 | 58.5° | 60.0° |
| C10 | C09 | N11 | H18 | 178.5° | 63.9° |
| N11 | C09 | C10 | H14 | 57.9° | 180.0° |
| N11 | C09 | C10 | H15 | 62.1° | 59.9° |
| N11 | C09 | C10 | H16 | 178.0° | 60.0° |
| C09 | N11 | H17 | H18 | 120.0° | 123.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.4° | 59.9° |
| H1 | C01 | C02 | H5 | 59.4° | 60.0° |
| H2 | C01 | C02 | H4 | 60.6° | 60.0° |
| H2 | C01 | C02 | H5 | 179.4° | 180.0° |
| H3 | C01 | C02 | H4 | 179.4° | 180.0° |
| H3 | C01 | C02 | H5 | 60.6° | 60.0° |
| H4 | C02 | C03 | H6 | 99.9° | 180.0° |
| H4 | C02 | C03 | H7 | 19.4° | 59.9° |
| H5 | C02 | C03 | H6 | 141.4° | 60.0° |
| H5 | C02 | C03 | H7 | 99.4° | 180.0° |
| H6 | C03 | C04 | H8 | 57.9° | 180.0° |
| H6 | C03 | C04 | H9 | 61.1° | 60.0° |
| H7 | C03 | C04 | H8 | 177.2° | 60.0° |
| H7 | C03 | C04 | H9 | 58.1° | 180.0° |
| H8 | C04 | C05 | H10 | 116.6° | 180.0° |
| H8 | C04 | C05 | H11 | 2.8° | 60.0° |
| H9 | C04 | C05 | H10 | 124.3° | 60.0° |
| H9 | C04 | C05 | H11 | 116.3° | 179.9° |
| H10 | C05 | N06 | H12 | 77.4° | 120.0° |
| H11 | C05 | N06 | H12 | 163.1° | 120.0° |
| H13 | C09 | C10 | H14 | 61.2° | 60.1° |
| H13 | C09 | C10 | H15 | 178.8° | 60.0° |
| H13 | C09 | C10 | H16 | 58.8° | 180.0° |
| H13 | C09 | N11 | H17 | 60.0° | 180.0° |
| H13 | C09 | N11 | H18 | 60.0° | 56.1° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
