4WK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C11 | sing | 1.35Å | 1.32Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C11 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | N5 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| N5 | C6 | sing | 1.35Å | 1.33Å | |
| O7 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N10 | sing | 1.47Å | 1.49Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| N10 | H27 | sing | 1.01Å | 1.00Å | |
| N10 | H28 | sing | 1.01Å | 1.00Å | |
| N10 | H29 | sing | 1.01Å | 1.00Å | |
| N13 | H31 | sing | 0.97Å | 1.00Å | |
| N13 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C11 | O12 | 123.8° | 120.0° |
| N13 | C11 | C4 | 116.3° | 120.0° |
| C11 | N13 | H31 | 120.0° | 120.0° |
| C11 | N13 | H30 | 120.0° | 120.0° |
| O12 | C11 | C4 | 120.0° | 120.0° |
| C11 | C4 | C2 | 111.6° | 109.5° |
| C11 | C4 | N5 | 108.9° | 109.5° |
| C11 | C4 | H21 | 108.0° | 109.5° |
| C2 | C4 | N5 | 111.6° | 109.5° |
| C4 | C2 | C3 | 112.8° | 109.5° |
| C4 | C2 | C1 | 111.0° | 109.5° |
| C4 | C2 | H17 | 107.3° | 109.5° |
| C2 | C4 | H21 | 107.8° | 109.5° |
| C4 | N5 | C6 | 122.9° | 120.0° |
| N5 | C4 | H21 | 108.9° | 109.5° |
| C4 | N5 | H22 | 118.6° | 120.0° |
| C3 | C2 | C1 | 110.5° | 109.5° |
| C3 | C2 | H17 | 107.4° | 109.5° |
| C2 | C3 | H20 | 109.5° | 109.5° |
| C2 | C3 | H19 | 109.5° | 109.5° |
| C2 | C3 | H18 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C1 | C2 | H17 | 107.5° | 109.5° |
| N5 | C6 | O7 | 123.7° | 120.0° |
| N5 | C6 | C8 | 115.0° | 119.9° |
| C6 | N5 | H22 | 118.6° | 120.0° |
| O7 | C6 | C8 | 121.3° | 120.1° |
| C6 | C8 | C9 | 112.0° | 109.5° |
| C6 | C8 | N10 | 108.5° | 109.4° |
| C6 | C8 | H23 | 108.6° | 109.5° |
| C9 | C8 | N10 | 109.8° | 109.5° |
| C9 | C8 | H23 | 108.7° | 109.5° |
| C8 | C9 | H26 | 109.5° | 109.5° |
| C8 | C9 | H24 | 109.5° | 109.5° |
| C8 | C9 | H25 | 109.4° | 109.5° |
| N10 | C8 | H23 | 109.1° | 109.5° |
| C8 | N10 | H27 | 109.5° | 109.5° |
| C8 | N10 | H28 | 109.5° | 109.4° |
| C8 | N10 | H29 | 109.4° | 109.4° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.4° |
| H16 | C1 | H15 | 109.4° | 109.4° |
| H20 | C3 | H19 | 109.5° | 109.5° |
| H20 | C3 | H18 | 109.5° | 109.5° |
| H19 | C3 | H18 | 109.4° | 109.5° |
| H26 | C9 | H24 | 109.4° | 109.5° |
| H26 | C9 | H25 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.5° |
| H27 | N10 | H28 | 109.5° | 109.5° |
| H27 | N10 | H29 | 109.5° | 109.5° |
| H28 | N10 | H29 | 109.5° | 109.5° |
| H31 | N13 | H30 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C11 | O12 | C4 | 179.8° | 180.0° |
| N13 | C11 | C4 | C2 | 89.6° | 60.0° |
| N13 | C11 | C4 | N5 | 146.8° | 180.0° |
| N13 | C11 | C4 | H21 | 28.7° | 60.0° |
| C11 | N13 | H31 | H30 | 180.0° | 179.9° |
| O12 | C11 | C4 | C2 | 90.3° | 120.0° |
| O12 | C11 | C4 | N5 | 33.3° | 0.0° |
| O12 | C11 | C4 | H21 | 151.5° | 120.0° |
| O12 | C11 | N13 | H31 | 0.0° | 0.0° |
| O12 | C11 | N13 | H30 | 180.0° | 180.0° |
| C11 | C4 | C2 | N5 | 122.1° | 120.0° |
| C11 | C4 | C2 | H21 | 118.4° | 120.0° |
| C11 | C4 | N5 | H21 | 117.6° | 120.0° |
| C11 | C4 | C2 | C3 | 62.6° | 60.0° |
| C11 | C4 | C2 | C1 | 172.6° | 180.0° |
| C11 | C4 | N5 | C6 | 135.0° | 155.0° |
| C11 | C4 | C2 | H17 | 55.5° | 60.0° |
| C11 | C4 | N5 | H22 | 45.0° | 25.0° |
| C4 | C11 | N13 | H31 | 179.8° | 180.0° |
| C4 | C11 | N13 | H30 | 0.2° | 0.0° |
| C2 | C4 | N5 | H21 | 118.8° | 120.0° |
| C4 | C2 | C3 | C1 | 125.0° | 120.0° |
| C4 | C2 | C3 | H17 | 118.0° | 120.0° |
| C4 | C2 | C1 | H17 | 117.0° | 120.0° |
| C2 | C4 | N5 | C6 | 101.4° | 85.0° |
| C4 | C2 | C1 | H14 | 180.0° | 60.0° |
| C4 | C2 | C1 | H16 | 60.0° | 60.0° |
| C4 | C2 | C1 | H15 | 60.0° | 180.0° |
| C4 | C2 | C3 | H20 | 180.0° | 60.0° |
| C4 | C2 | C3 | H19 | 60.0° | 60.0° |
| C4 | C2 | C3 | H18 | 60.0° | 180.0° |
| C2 | C4 | N5 | H22 | 78.6° | 95.0° |
| N5 | C4 | C2 | C3 | 59.5° | 60.0° |
| N5 | C4 | C2 | C1 | 65.3° | 60.0° |
| C4 | N5 | C6 | H22 | 180.0° | 180.0° |
| C4 | N5 | C6 | O7 | 1.0° | 0.0° |
| C4 | N5 | C6 | C8 | 179.0° | 180.0° |
| N5 | C4 | C2 | H17 | 177.5° | 180.0° |
| C3 | C2 | C1 | H17 | 116.9° | 120.0° |
| C3 | C2 | C1 | H14 | 54.0° | 180.0° |
| C3 | C2 | C1 | H16 | 174.0° | 60.0° |
| C3 | C2 | C1 | H15 | 66.0° | 60.0° |
| C2 | C3 | H20 | H19 | 120.0° | 120.0° |
| C2 | C3 | H20 | H18 | 120.0° | 120.0° |
| C2 | C3 | H19 | H18 | 120.0° | 120.0° |
| C3 | C2 | C4 | H21 | 179.0° | 180.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H16 | H15 | 120.0° | 120.0° |
| C1 | C2 | C3 | H20 | 55.0° | 60.0° |
| C1 | C2 | C3 | H19 | 65.0° | 180.0° |
| C1 | C2 | C3 | H18 | 175.0° | 60.0° |
| C1 | C2 | C4 | H21 | 54.2° | 60.0° |
| N5 | C6 | O7 | C8 | 180.0° | 180.0° |
| N5 | C6 | C8 | C9 | 74.8° | 60.0° |
| N5 | C6 | C8 | N10 | 163.8° | 180.0° |
| N5 | C6 | C8 | H23 | 45.3° | 60.0° |
| C6 | N5 | C4 | H21 | 17.5° | 35.0° |
| O7 | C6 | C8 | C9 | 105.2° | 120.0° |
| O7 | C6 | C8 | N10 | 16.2° | 0.0° |
| O7 | C6 | C8 | H23 | 134.7° | 120.0° |
| O7 | C6 | N5 | H22 | 179.0° | 180.0° |
| C6 | C8 | C9 | N10 | 120.6° | 119.9° |
| C6 | C8 | C9 | H23 | 120.1° | 120.0° |
| C6 | C8 | N10 | H23 | 118.2° | 120.0° |
| C8 | C6 | N5 | H22 | 1.0° | 0.1° |
| C6 | C8 | C9 | H26 | 180.0° | 60.0° |
| C6 | C8 | C9 | H24 | 60.0° | 60.0° |
| C6 | C8 | C9 | H25 | 60.0° | 180.0° |
| C6 | C8 | N10 | H27 | 180.0° | 60.0° |
| C6 | C8 | N10 | H28 | 60.0° | 180.0° |
| C6 | C8 | N10 | H29 | 60.0° | 60.0° |
| C9 | C8 | N10 | H23 | 119.1° | 120.0° |
| C8 | C9 | H26 | H24 | 120.0° | 120.0° |
| C8 | C9 | H26 | H25 | 120.0° | 120.0° |
| C8 | C9 | H24 | H25 | 120.0° | 120.0° |
| C9 | C8 | N10 | H27 | 57.3° | 60.0° |
| C9 | C8 | N10 | H28 | 177.3° | 60.0° |
| C9 | C8 | N10 | H29 | 62.7° | 180.0° |
| N10 | C8 | C9 | H26 | 59.4° | 60.0° |
| N10 | C8 | C9 | H24 | 60.6° | 180.0° |
| N10 | C8 | C9 | H25 | 179.4° | 60.0° |
| C8 | N10 | H27 | H28 | 120.0° | 120.0° |
| C8 | N10 | H27 | H29 | 120.0° | 119.9° |
| C8 | N10 | H28 | H29 | 120.0° | 119.9° |
| H14 | C1 | H16 | H15 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 63.0° | 60.0° |
| H16 | C1 | C2 | H17 | 57.1° | 180.0° |
| H15 | C1 | C2 | H17 | 177.0° | 60.0° |
| H17 | C2 | C3 | H20 | 62.0° | 180.0° |
| H17 | C2 | C3 | H19 | 178.0° | 60.0° |
| H17 | C2 | C3 | H18 | 58.0° | 60.0° |
| H17 | C2 | C4 | H21 | 62.9° | 60.0° |
| H20 | C3 | H19 | H18 | 120.0° | 120.0° |
| H23 | C8 | C9 | H26 | 60.0° | 180.0° |
| H23 | C8 | C9 | H24 | 179.9° | 60.0° |
| H23 | C8 | C9 | H25 | 60.1° | 60.0° |
| H23 | C8 | N10 | H27 | 61.8° | 180.0° |
| H23 | C8 | N10 | H28 | 58.2° | 60.0° |
| H23 | C8 | N10 | H29 | 178.2° | 60.0° |
| H21 | C4 | N5 | H22 | 162.5° | 145.0° |
| H26 | C9 | H24 | H25 | 120.0° | 120.0° |
| H27 | N10 | H28 | H29 | 120.0° | 120.1° |
