KRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.53Å | 1.58Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| N5 | C4 | sing | 1.46Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C25 | N5 | sing | 1.34Å | 1.37Å | |
| N5 | C6 | sing | 1.38Å | 1.48Å | |
| C18 | C6 | doub | 1.36Å | 1.43Å | |
| C6 | C7 | sing | 1.48Å | 1.56Å | |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| C7 | C9 | sing | 1.48Å | 1.55Å | |
| C17 | C9 | doub | 1.40Å | 1.48Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.46Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | C11 | sing | 1.40Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.40Å | |
| C12 | N13 | trip | 1.14Å | 1.15Å | |
| C15 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | C15 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | C18 | sing | 1.47Å | 1.57Å | |
| C18 | C19 | sing | 1.51Å | 1.58Å | |
| C21 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| O23 | C22 | doub | 1.22Å | 1.21Å | |
| N24 | C22 | sing | 1.35Å | 1.35Å | |
| N24 | C25 | sing | 1.34Å | 1.36Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| O26 | C25 | doub | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 113.3° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C2 | C1 | H1A | 108.2° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| C1 | C2 | H2B | 109.5° | 109.5° |
| C4 | C1 | H1 | 108.2° | 109.5° |
| C4 | C1 | H1A | 108.2° | 109.5° |
| C1 | C4 | N5 | 114.3° | 109.5° |
| C1 | C4 | H4 | 107.9° | 109.4° |
| C1 | C4 | H4A | 107.9° | 109.5° |
| H1 | C1 | H1A | 110.7° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.5° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| N5 | C4 | H4 | 107.9° | 109.5° |
| N5 | C4 | H4A | 107.9° | 109.5° |
| C4 | N5 | C25 | 115.7° | 119.4° |
| C4 | N5 | C6 | 123.2° | 119.4° |
| H4 | C4 | H4A | 111.0° | 109.5° |
| C25 | N5 | C6 | 121.1° | 121.2° |
| N5 | C25 | N24 | 119.4° | 121.8° |
| N5 | C25 | O26 | 123.5° | 119.1° |
| N5 | C6 | C18 | 121.3° | 119.3° |
| N5 | C6 | C7 | 113.9° | 120.3° |
| C18 | C6 | C7 | 124.8° | 120.3° |
| C6 | C18 | C22 | 113.0° | 118.4° |
| C6 | C18 | C19 | 125.1° | 120.8° |
| C6 | C7 | O8 | 116.5° | 120.0° |
| C6 | C7 | C9 | 124.2° | 120.0° |
| O8 | C7 | C9 | 119.3° | 120.0° |
| C7 | C9 | C17 | 122.1° | 120.1° |
| C7 | C9 | C10 | 119.7° | 120.1° |
| C17 | C9 | C10 | 118.2° | 119.8° |
| C9 | C17 | C15 | 121.5° | 120.1° |
| C9 | C17 | H17 | 119.3° | 119.9° |
| C9 | C10 | C11 | 119.3° | 119.7° |
| C9 | C10 | H10 | 120.3° | 120.2° |
| C11 | C10 | H10 | 120.3° | 120.1° |
| C10 | C11 | C14 | 121.4° | 119.9° |
| C10 | C11 | C12 | 120.7° | 120.1° |
| C14 | C11 | C12 | 117.9° | 120.1° |
| C11 | C14 | C15 | 120.4° | 120.2° |
| C11 | C14 | H14 | 119.8° | 119.9° |
| C11 | C12 | N13 | 177.1° | 180.0° |
| C15 | C14 | H14 | 119.8° | 119.9° |
| C14 | C15 | C17 | 119.3° | 120.3° |
| C14 | C15 | C16 | 120.5° | 119.8° |
| C17 | C15 | C16 | 120.2° | 119.8° |
| C15 | C17 | H17 | 119.3° | 120.0° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.5° | 109.5° |
| C15 | C16 | H16B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C22 | C18 | C19 | 121.8° | 120.8° |
| C18 | C22 | O23 | 123.2° | 120.6° |
| C18 | C22 | N24 | 120.1° | 118.9° |
| C18 | C19 | C21 | 110.1° | 109.5° |
| C18 | C19 | C20 | 111.8° | 109.5° |
| C18 | C19 | H19 | 107.3° | 109.4° |
| C21 | C19 | C20 | 109.1° | 109.5° |
| C21 | C19 | H19 | 110.1° | 109.5° |
| C19 | C21 | H21 | 109.5° | 109.5° |
| C19 | C21 | H21A | 109.5° | 109.5° |
| C19 | C21 | H21B | 109.5° | 109.4° |
| C20 | C19 | H19 | 108.3° | 109.4° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C19 | C20 | H20B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.4° | 109.5° |
| O23 | C22 | N24 | 116.7° | 120.6° |
| C22 | N24 | C25 | 125.0° | 120.4° |
| C22 | N24 | HN24 | 117.5° | 119.8° |
| C25 | N24 | HN24 | 117.5° | 119.8° |
| N24 | C25 | O26 | 117.1° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 120.0° | 119.9° |
| C2 | C1 | C4 | H1A | 120.0° | 120.1° |
| C2 | C1 | H1 | H1A | 118.5° | 120.0° |
| C1 | C2 | H2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2B | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C1 | C4 | N5 | 85.2° | 180.0° |
| C2 | C1 | C4 | H4 | 154.8° | 60.0° |
| C2 | C1 | C4 | H4A | 34.8° | 59.9° |
| C4 | C1 | H1 | H1A | 118.4° | 120.1° |
| C4 | C1 | C2 | H2 | 180.0° | 180.0° |
| C4 | C1 | C2 | H2A | 60.0° | 59.9° |
| C4 | C1 | C2 | H2B | 60.0° | 60.1° |
| C1 | C4 | N5 | H4 | 120.0° | 119.9° |
| C1 | C4 | N5 | H4A | 120.0° | 120.1° |
| C1 | C4 | H4 | H4A | 118.0° | 120.0° |
| C1 | C4 | N5 | C25 | 68.4° | 82.8° |
| C1 | C4 | N5 | C6 | 113.4° | 97.5° |
| H1 | C1 | C2 | H2 | 60.0° | 60.0° |
| H1 | C1 | C2 | H2A | 60.0° | 60.0° |
| H1 | C1 | C2 | H2B | 180.0° | 180.0° |
| H1 | C1 | C4 | N5 | 34.8° | 60.1° |
| H1 | C1 | C4 | H4 | 85.2° | 180.0° |
| H1 | C1 | C4 | H4A | 154.9° | 60.0° |
| H1A | C1 | C2 | H2 | 60.0° | 59.9° |
| H1A | C1 | C2 | H2A | 180.0° | 180.0° |
| H1A | C1 | C2 | H2B | 60.0° | 60.0° |
| H1A | C1 | C4 | N5 | 154.9° | 59.9° |
| H1A | C1 | C4 | H4 | 34.8° | 60.0° |
| H1A | C1 | C4 | H4A | 85.1° | NaN° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| N5 | C4 | H4 | H4A | 118.0° | 120.0° |
| C4 | N5 | C25 | C6 | 178.2° | 179.7° |
| C4 | N5 | C6 | C18 | 179.7° | 180.0° |
| C4 | N5 | C6 | C7 | 1.3° | 0.0° |
| C4 | N5 | C25 | N24 | 179.8° | 179.7° |
| C4 | N5 | C25 | O26 | 1.3° | 0.3° |
| H4 | C4 | N5 | C25 | 51.6° | 157.2° |
| H4 | C4 | N5 | C6 | 126.6° | 22.5° |
| H4A | C4 | N5 | C25 | 171.6° | 37.3° |
| H4A | C4 | N5 | C6 | 6.6° | 142.5° |
| C25 | N5 | C6 | C18 | 2.2° | 0.3° |
| C25 | N5 | C6 | C7 | 179.3° | 179.7° |
| N5 | C25 | N24 | C22 | 1.3° | 0.6° |
| N5 | C25 | N24 | O26 | 178.6° | 179.5° |
| N5 | C25 | N24 | HN24 | 178.7° | 179.7° |
| N5 | C6 | C18 | C7 | 178.3° | 180.0° |
| N5 | C6 | C7 | O8 | 70.5° | 70.4° |
| N5 | C6 | C7 | C9 | 108.2° | 109.7° |
| N5 | C6 | C18 | C22 | 1.5° | 0.0° |
| N5 | C6 | C18 | C19 | 179.5° | 180.0° |
| C6 | N5 | C25 | N24 | 2.0° | 0.6° |
| C6 | N5 | C25 | O26 | 179.5° | 180.0° |
| C18 | C6 | C7 | O8 | 107.9° | 109.7° |
| C18 | C6 | C7 | C9 | 73.4° | 70.3° |
| C6 | C18 | C22 | C19 | 179.1° | 180.0° |
| C6 | C18 | C19 | C21 | 118.5° | 115.6° |
| C6 | C18 | C19 | C20 | 120.0° | 124.4° |
| C6 | C18 | C19 | H19 | 1.4° | 4.4° |
| C6 | C18 | C22 | O23 | 179.5° | 179.9° |
| C6 | C18 | C22 | N24 | 0.8° | 0.0° |
| C6 | C7 | O8 | C9 | 178.7° | 180.0° |
| C6 | C7 | C9 | C17 | 1.7° | 172.6° |
| C6 | C7 | C9 | C10 | 177.8° | 7.1° |
| C7 | C6 | C18 | C22 | 179.8° | 180.0° |
| C7 | C6 | C18 | C19 | 1.2° | 0.0° |
| O8 | C7 | C9 | C17 | 179.7° | 7.4° |
| O8 | C7 | C9 | C10 | 0.8° | 172.9° |
| C7 | C9 | C17 | C10 | 179.5° | 179.7° |
| C7 | C9 | C10 | C11 | 179.2° | 180.0° |
| C7 | C9 | C10 | H10 | 0.8° | 0.0° |
| C7 | C9 | C17 | C15 | 179.7° | 179.7° |
| C7 | C9 | C17 | H17 | 0.3° | 0.0° |
| C17 | C9 | C10 | C11 | 0.3° | 0.2° |
| C17 | C9 | C10 | H10 | 179.7° | 179.8° |
| C9 | C17 | C15 | C14 | 0.5° | 0.5° |
| C9 | C17 | C15 | H17 | 180.0° | 179.7° |
| C9 | C17 | C15 | C16 | 179.8° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C14 | 0.5° | 0.1° |
| C9 | C10 | C11 | C12 | 178.8° | 180.0° |
| C10 | C9 | C17 | C15 | 0.2° | 0.5° |
| C10 | C9 | C17 | H17 | 179.8° | 179.7° |
| C10 | C11 | C14 | C12 | 179.3° | 180.0° |
| C10 | C11 | C12 | N13 | 92.0° | 90.9° |
| C10 | C11 | C14 | C15 | 0.1° | 0.1° |
| C10 | C11 | C14 | H14 | 179.9° | 179.9° |
| H10 | C10 | C11 | C14 | 179.5° | 179.9° |
| H10 | C10 | C11 | C12 | 1.2° | 0.0° |
| C14 | C11 | C12 | N13 | 87.3° | 89.0° |
| C11 | C14 | C15 | H14 | 180.0° | 180.0° |
| C11 | C14 | C15 | C17 | 0.4° | 0.2° |
| C11 | C14 | C15 | C16 | 179.9° | 180.0° |
| C12 | C11 | C14 | C15 | 179.2° | 180.0° |
| C12 | C11 | C14 | H14 | 0.8° | 0.0° |
| C14 | C15 | C17 | C16 | 179.7° | 179.8° |
| C14 | C15 | C16 | H16 | 90.2° | 90.1° |
| C14 | C15 | C16 | H16A | 149.8° | 150.0° |
| C14 | C15 | C16 | H16B | 29.9° | 30.0° |
| C14 | C15 | C17 | H17 | 179.5° | 179.7° |
| H14 | C14 | C15 | C17 | 179.6° | 179.7° |
| H14 | C14 | C15 | C16 | 0.1° | 0.0° |
| C17 | C15 | C16 | H16 | 90.1° | 89.7° |
| C17 | C15 | C16 | H16A | 29.9° | 30.3° |
| C17 | C15 | C16 | H16B | 149.8° | 150.3° |
| C15 | C16 | H16 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16B | 120.0° | 120.0° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 0.2° | 0.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| C22 | C18 | C19 | C21 | 62.6° | 64.4° |
| C22 | C18 | C19 | C20 | 59.0° | 55.6° |
| C22 | C18 | C19 | H19 | 177.6° | 175.5° |
| C18 | C22 | O23 | N24 | 179.7° | 179.9° |
| C18 | C22 | N24 | C25 | 0.7° | 0.3° |
| C18 | C22 | N24 | HN24 | 179.3° | 180.0° |
| C18 | C19 | C21 | C20 | 123.1° | 120.0° |
| C18 | C19 | C21 | H19 | 118.1° | 120.0° |
| C18 | C19 | C20 | H19 | 118.0° | 119.9° |
| C18 | C19 | C20 | H20 | 180.0° | 66.9° |
| C18 | C19 | C20 | H20A | 60.0° | 173.2° |
| C18 | C19 | C20 | H20B | 60.0° | 53.1° |
| C18 | C19 | C21 | H21 | 180.0° | 63.3° |
| C18 | C19 | C21 | H21A | 60.0° | 176.7° |
| C18 | C19 | C21 | H21B | 60.0° | 56.7° |
| C19 | C18 | C22 | O23 | 0.4° | 0.0° |
| C19 | C18 | C22 | N24 | 179.8° | 180.0° |
| C21 | C19 | C20 | H19 | 119.8° | 120.0° |
| C21 | C19 | C20 | H20 | 57.9° | 53.2° |
| C21 | C19 | C20 | H20A | 62.1° | 66.8° |
| C21 | C19 | C20 | H20B | 177.9° | 173.1° |
| C19 | C21 | H21 | H21A | 120.0° | 120.0° |
| C19 | C21 | H21 | H21B | 120.0° | 120.0° |
| C19 | C21 | H21A | H21B | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20B | 120.0° | 120.0° |
| C19 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C19 | C21 | H21 | 56.8° | 176.7° |
| C20 | C19 | C21 | H21A | 176.9° | 56.7° |
| C20 | C19 | C21 | H21B | 63.2° | 63.3° |
| H19 | C19 | C20 | H20 | 61.9° | 173.2° |
| H19 | C19 | C20 | H20A | 178.0° | 53.2° |
| H19 | C19 | C20 | H20B | 58.0° | 66.8° |
| H19 | C19 | C21 | H21 | 61.9° | 56.7° |
| H19 | C19 | C21 | H21A | 58.2° | 63.3° |
| H19 | C19 | C21 | H21B | 178.1° | 176.7° |
| H20 | C20 | H20A | H20B | 120.0° | 120.1° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| O23 | C22 | N24 | C25 | 179.6° | 179.7° |
| O23 | C22 | N24 | HN24 | 0.4° | 0.0° |
| C22 | N24 | C25 | HN24 | 180.0° | 179.7° |
| C22 | N24 | C25 | O26 | 179.9° | 180.0° |
| HN24 | N24 | C25 | O26 | 0.1° | 0.3° |
