KV5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O4' | C4' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
C3' | C2' | sing | 1.53Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.54Å | |
O2' | C2' | sing | 1.43Å | 1.44Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
O6' | C6' | sing | 1.43Å | 1.44Å | |
C5' | C6' | sing | 1.53Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.44Å | |
C1' | O5' | sing | 1.43Å | 1.43Å | |
C1' | C1 | sing | 1.51Å | 1.50Å | |
C2 | C1 | doub | 1.35Å | 1.35Å | Aromatic |
C2 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
C1 | N5 | sing | 1.34Å | 1.35Å | Aromatic |
N3 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
N5 | C4 | doub | 1.31Å | 1.33Å | Aromatic |
C4 | C6 | sing | 1.48Å | 1.46Å | |
C6 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
C6 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
C11 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
C8 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
C8 | C9 | sing | 1.42Å | 1.41Å | Aromatic |
C12 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
C9 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
N3 | H1 | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
C1' | H7 | sing | 1.09Å | 1.10Å | |
O2' | H9 | sing | 0.97Å | 0.95Å | |
O3' | H10 | sing | 0.97Å | 0.95Å | |
O4' | H11 | sing | 0.97Å | 0.95Å | |
C6' | H12 | sing | 1.09Å | 1.10Å | |
C6' | H13 | sing | 1.09Å | 1.10Å | |
O6' | H14 | sing | 0.97Å | 0.95Å | |
C11 | H15 | sing | 1.08Å | 1.08Å | |
C10 | H16 | sing | 1.08Å | 1.08Å | |
C7 | H17 | sing | 1.08Å | 1.08Å | |
C15 | H18 | sing | 1.08Å | 1.08Å | |
C14 | H19 | sing | 1.08Å | 1.08Å | |
C13 | H20 | sing | 1.08Å | 1.08Å | |
C12 | H21 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 109.0° | 109.5° |
O3' | C3' | C2' | 110.5° | 109.5° |
O3' | C3' | H5 | 109.6° | 109.6° |
C3' | O3' | H10 | 109.5° | 114.0° |
O4' | C4' | C3' | 108.6° | 109.6° |
O4' | C4' | C5' | 109.9° | 109.5° |
O4' | C4' | H4 | 109.9° | 109.5° |
C4' | O4' | H11 | 109.5° | 114.0° |
C4' | C3' | C2' | 111.2° | 109.1° |
C3' | C4' | C5' | 111.6° | 109.1° |
C3' | C4' | H4 | 108.6° | 109.5° |
C4' | C3' | H5 | 108.4° | 109.5° |
C3' | C2' | O2' | 111.9° | 109.6° |
C3' | C2' | C1' | 110.2° | 109.1° |
C2' | C3' | H5 | 108.2° | 109.5° |
C3' | C2' | H6 | 108.3° | 109.5° |
C4' | C5' | C6' | 113.2° | 109.5° |
C4' | C5' | O5' | 109.9° | 109.4° |
C4' | C5' | H3 | 108.3° | 109.4° |
C5' | C4' | H4 | 108.3° | 109.5° |
O2' | C2' | C1' | 108.4° | 109.5° |
O2' | C2' | H6 | 109.6° | 109.6° |
C2' | O2' | H9 | 109.5° | 114.0° |
C2' | C1' | O5' | 110.5° | 109.4° |
C2' | C1' | C1 | 111.0° | 109.4° |
C1' | C2' | H6 | 108.3° | 109.5° |
C2' | C1' | H7 | 108.3° | 109.5° |
O6' | C6' | C5' | 112.4° | 109.5° |
O6' | C6' | H12 | 108.7° | 109.4° |
O6' | C6' | H13 | 108.7° | 109.5° |
C6' | O6' | H14 | 109.5° | 114.0° |
C6' | C5' | O5' | 107.0° | 109.5° |
C6' | C5' | H3 | 108.7° | 109.5° |
C5' | C6' | H12 | 108.7° | 109.5° |
C5' | C6' | H13 | 108.7° | 109.5° |
C5' | O5' | C1' | 112.7° | 114.1° |
O5' | C5' | H3 | 109.7° | 109.5° |
O5' | C1' | C1 | 108.6° | 109.5° |
O5' | C1' | H7 | 109.7° | 109.5° |
C1' | C1 | C2 | 125.5° | 125.8° |
C1' | C1 | N5 | 125.5° | 125.9° |
C1 | C1' | H7 | 108.7° | 109.5° |
C1 | C2 | N3 | 107.3° | 107.1° |
C2 | C1 | N5 | 109.0° | 108.3° |
C1 | C2 | H2 | 126.3° | 126.5° |
C2 | N3 | C4 | 107.4° | 107.0° |
C2 | N3 | H1 | 126.3° | 126.6° |
N3 | C2 | H2 | 126.3° | 126.4° |
C1 | N5 | C4 | 106.6° | 109.3° |
N3 | C4 | N5 | 109.6° | 108.3° |
N3 | C4 | C6 | 124.9° | 125.9° |
C4 | N3 | H1 | 126.3° | 126.4° |
N5 | C4 | C6 | 125.5° | 125.8° |
C4 | C6 | C7 | 120.6° | 119.8° |
C4 | C6 | C11 | 119.4° | 119.8° |
C7 | C6 | C11 | 120.0° | 120.5° |
C6 | C7 | C8 | 121.4° | 119.5° |
C6 | C7 | H17 | 119.3° | 120.2° |
C6 | C11 | C10 | 120.3° | 120.9° |
C6 | C11 | H15 | 119.9° | 119.5° |
C7 | C8 | C12 | 122.4° | 121.1° |
C7 | C8 | C9 | 118.6° | 119.5° |
C8 | C7 | H17 | 119.3° | 120.3° |
C11 | C10 | C9 | 121.2° | 120.0° |
C10 | C11 | H15 | 119.9° | 119.6° |
C11 | C10 | H16 | 119.4° | 120.0° |
C12 | C8 | C9 | 118.9° | 119.4° |
C8 | C12 | C13 | 121.0° | 119.6° |
C8 | C12 | H21 | 119.5° | 120.2° |
C8 | C9 | C10 | 118.6° | 119.7° |
C8 | C9 | C15 | 118.6° | 119.2° |
C12 | C13 | C14 | 120.2° | 120.9° |
C12 | C13 | H20 | 119.9° | 119.5° |
C13 | C12 | H21 | 119.5° | 120.1° |
C10 | C9 | C15 | 122.8° | 121.1° |
C9 | C10 | H16 | 119.4° | 120.0° |
C9 | C15 | C14 | 120.8° | 119.8° |
C9 | C15 | H18 | 119.6° | 120.1° |
C13 | C14 | C15 | 120.5° | 121.0° |
C13 | C14 | H19 | 119.7° | 119.5° |
C14 | C13 | H20 | 119.9° | 119.6° |
C14 | C15 | H18 | 119.6° | 120.1° |
C15 | C14 | H19 | 119.7° | 119.5° |
H12 | C6' | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 66.7° | 63.2° |
O3' | C3' | C4' | C2' | 122.0° | 119.9° |
O3' | C3' | C4' | H5 | 119.2° | 120.2° |
O3' | C3' | C2' | H5 | 119.9° | 120.2° |
O3' | C3' | C4' | C5' | 172.0° | 176.8° |
O3' | C3' | C2' | O2' | 67.2° | 63.2° |
O3' | C3' | C2' | C1' | 172.0° | 176.9° |
O3' | C3' | C4' | H4 | 52.7° | 57.0° |
O3' | C3' | C2' | H6 | 53.6° | 57.0° |
O4' | C4' | C3' | C5' | 121.3° | 120.0° |
O4' | C4' | C3' | H4 | 119.4° | 120.2° |
O4' | C4' | C3' | C2' | 171.2° | 176.9° |
O4' | C4' | C5' | H4 | 120.0° | 120.1° |
O4' | C4' | C5' | C6' | 66.2° | 62.4° |
O4' | C4' | C5' | O5' | 174.2° | 177.6° |
O4' | C4' | C5' | H3 | 54.4° | 57.6° |
O4' | C4' | C3' | H5 | 52.4° | 57.0° |
C4' | C3' | C2' | H5 | 118.9° | 119.9° |
C3' | C4' | C5' | H4 | 119.5° | 119.9° |
C4' | C3' | C2' | O2' | 171.6° | 176.9° |
C4' | C3' | C2' | C1' | 50.8° | 57.0° |
C3' | C4' | C5' | C6' | 173.3° | 177.6° |
C3' | C4' | C5' | O5' | 53.7° | 57.6° |
C3' | C4' | C5' | H3 | 66.1° | 62.4° |
C4' | C3' | C2' | H6 | 67.5° | 62.9° |
C4' | C3' | O3' | H10 | 180.0° | 179.9° |
C3' | C4' | O4' | H11 | 180.0° | 60.3° |
C2' | C3' | C4' | C5' | 49.9° | 56.9° |
C3' | C2' | O2' | C1' | 121.8° | 119.7° |
C3' | C2' | O2' | H6 | 120.1° | 120.2° |
C3' | C2' | C1' | H6 | 118.3° | 119.9° |
C3' | C2' | C1' | O5' | 56.5° | 57.6° |
C3' | C2' | C1' | C1 | 177.0° | 177.5° |
C2' | C3' | C4' | H4 | 69.4° | 62.9° |
C3' | C2' | C1' | H7 | 63.7° | 62.4° |
C3' | C2' | O2' | H9 | 180.0° | 60.0° |
C2' | C3' | O3' | H10 | 57.6° | 60.5° |
C4' | C5' | C6' | O6' | 50.0° | 175.0° |
C4' | C5' | C6' | O5' | 121.2° | 119.9° |
C4' | C5' | C6' | H3 | 120.4° | 120.0° |
C4' | C5' | O5' | H3 | 119.0° | 119.9° |
C4' | C5' | O5' | C1' | 60.7° | 61.2° |
C5' | C4' | C3' | H5 | 68.8° | 62.9° |
C5' | C4' | O4' | H11 | 57.7° | 180.0° |
C4' | C5' | C6' | H12 | 70.5° | 55.1° |
C4' | C5' | C6' | H13 | 170.4° | 65.0° |
O2' | C2' | C1' | H6 | 118.9° | 120.2° |
O2' | C2' | C1' | O5' | 179.3° | 177.5° |
O2' | C2' | C1' | C1 | 60.1° | 62.5° |
O2' | C2' | C3' | H5 | 52.7° | 57.0° |
O2' | C2' | C1' | H7 | 59.1° | 57.5° |
C2' | C1' | O5' | C5' | 62.9° | 61.2° |
C2' | C1' | O5' | C1 | 121.9° | 119.9° |
C2' | C1' | O5' | H7 | 119.4° | 120.0° |
C2' | C1' | C1 | H7 | 119.0° | 120.0° |
C2' | C1' | C1 | C2 | 35.8° | 125.1° |
C2' | C1' | C1 | N5 | 144.3° | 54.8° |
C1' | C2' | C3' | H5 | 68.1° | 62.9° |
C1' | C2' | O2' | H9 | 58.2° | 179.7° |
O6' | C6' | C5' | H12 | 120.4° | 119.9° |
O6' | C6' | C5' | H13 | 120.4° | 120.0° |
O6' | C6' | C5' | O5' | 71.3° | 65.1° |
O6' | C6' | C5' | H3 | 170.3° | 55.0° |
O6' | C6' | H12 | H13 | 118.6° | 120.0° |
C6' | C5' | O5' | H3 | 117.7° | 120.1° |
C6' | C5' | O5' | C1' | 176.0° | 178.9° |
C6' | C5' | C4' | H4 | 53.8° | 57.7° |
C5' | C6' | H12 | H13 | 118.7° | 120.0° |
C5' | C6' | O6' | H14 | 180.0° | 180.0° |
C5' | O5' | C1' | C1 | 175.2° | 178.9° |
O5' | C5' | C4' | H4 | 65.8° | 62.3° |
C5' | O5' | C1' | H7 | 56.5° | 58.8° |
O5' | C5' | C6' | H12 | 168.3° | 175.0° |
O5' | C5' | C6' | H13 | 49.1° | 54.9° |
O5' | C1' | C1 | H7 | 119.3° | 120.1° |
O5' | C1' | C1 | C2 | 85.9° | 115.1° |
O5' | C1' | C1 | N5 | 94.0° | 65.1° |
C1' | O5' | C5' | H3 | 58.2° | 58.7° |
O5' | C1' | C2' | H6 | 61.8° | 62.3° |
C1' | C1 | C2 | N5 | 179.9° | 179.8° |
C1' | C1 | C2 | N3 | 179.5° | 180.0° |
C1' | C1 | N5 | C4 | 179.3° | 179.8° |
C1' | C1 | C2 | H2 | 0.5° | 0.2° |
C1 | C1' | C2' | H6 | 58.7° | 57.6° |
C1 | C2 | N3 | H2 | 180.0° | 179.8° |
C1 | C2 | N3 | C4 | 1.5° | 0.0° |
C2 | C1 | N5 | C4 | 0.8° | 0.3° |
C1 | C2 | N3 | H1 | 178.5° | 180.0° |
C2 | C1 | C1' | H7 | 154.8° | 5.0° |
N3 | C2 | C1 | N5 | 0.5° | 0.2° |
C2 | N3 | C4 | H1 | 180.0° | 180.0° |
C2 | N3 | C4 | N5 | 2.1° | 0.2° |
C2 | N3 | C4 | C6 | 179.0° | 180.0° |
C1 | N5 | C4 | N3 | 1.8° | 0.3° |
C1 | N5 | C4 | C6 | 178.6° | 179.9° |
N5 | C1 | C2 | H2 | 179.5° | 180.0° |
N5 | C1 | C1' | H7 | 25.3° | 174.8° |
N3 | C4 | N5 | C6 | 176.9° | 179.8° |
N3 | C4 | C6 | C7 | 10.4° | 180.0° |
N3 | C4 | C6 | C11 | 167.2° | 0.2° |
C4 | N3 | C2 | H2 | 178.4° | 179.8° |
N5 | C4 | C6 | C7 | 173.1° | 0.3° |
N5 | C4 | C6 | C11 | 9.2° | 179.9° |
N5 | C4 | N3 | H1 | 177.9° | 179.8° |
C4 | C6 | C7 | C11 | 177.6° | 179.8° |
C4 | C6 | C7 | C8 | 178.4° | 179.8° |
C4 | C6 | C11 | C10 | 177.8° | 180.0° |
C6 | C4 | N3 | H1 | 1.0° | 0.0° |
C4 | C6 | C11 | H15 | 2.3° | 0.1° |
C4 | C6 | C7 | H17 | 1.6° | 0.1° |
C6 | C7 | C8 | H17 | 180.0° | 179.9° |
C7 | C6 | C11 | C10 | 0.1° | 0.2° |
C6 | C7 | C8 | C12 | 179.0° | 179.5° |
C6 | C7 | C8 | C9 | 0.8° | 0.4° |
C7 | C6 | C11 | H15 | 180.0° | 179.7° |
C11 | C6 | C7 | C8 | 0.8° | 0.4° |
C6 | C11 | C10 | H15 | 180.0° | 180.0° |
C6 | C11 | C10 | C9 | 0.6° | 0.0° |
C6 | C11 | C10 | H16 | 179.4° | 180.0° |
C11 | C6 | C7 | H17 | 179.2° | 179.7° |
C7 | C8 | C12 | C9 | 179.7° | 179.9° |
C7 | C8 | C12 | C13 | 179.8° | 180.0° |
C7 | C8 | C9 | C10 | 0.1° | 0.2° |
C7 | C8 | C9 | C15 | 179.6° | 180.0° |
C7 | C8 | C12 | H21 | 0.3° | 0.1° |
C11 | C10 | C9 | C8 | 0.6° | 0.0° |
C11 | C10 | C9 | H16 | 180.0° | 179.9° |
C11 | C10 | C9 | C15 | 179.7° | 179.8° |
C8 | C12 | C13 | H21 | 180.0° | 179.9° |
C12 | C8 | C9 | C10 | 179.6° | 179.7° |
C12 | C8 | C9 | C15 | 0.6° | 0.1° |
C8 | C12 | C13 | C14 | 0.1° | 0.0° |
C12 | C8 | C7 | H17 | 1.0° | 0.4° |
C8 | C12 | C13 | H20 | 179.9° | 180.0° |
C9 | C8 | C12 | C13 | 0.5° | 0.1° |
C8 | C9 | C10 | C15 | 179.7° | 179.8° |
C8 | C9 | C15 | C14 | 0.2° | 0.0° |
C8 | C9 | C10 | H16 | 179.5° | 179.9° |
C9 | C8 | C7 | H17 | 179.2° | 179.7° |
C8 | C9 | C15 | H18 | 179.8° | 180.0° |
C9 | C8 | C12 | H21 | 179.5° | 180.0° |
C12 | C13 | C14 | H20 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.5° | 0.0° |
C12 | C13 | C14 | H19 | 179.5° | 180.0° |
C10 | C9 | C15 | C14 | 179.9° | 179.8° |
C9 | C10 | C11 | H15 | 179.4° | 180.0° |
C10 | C9 | C15 | H18 | 0.1° | 0.3° |
C9 | C15 | C14 | C13 | 0.4° | 0.0° |
C9 | C15 | C14 | H18 | 180.0° | 180.0° |
C15 | C9 | C10 | H16 | 0.3° | 0.3° |
C9 | C15 | C14 | H19 | 179.6° | 180.0° |
C13 | C14 | C15 | H19 | 180.0° | 180.0° |
C13 | C14 | C15 | H18 | 179.6° | 180.0° |
C14 | C13 | C12 | H21 | 180.0° | 179.9° |
C15 | C14 | C13 | H20 | 179.5° | 180.0° |
H1 | N3 | C2 | H2 | 1.6° | 0.2° |
H3 | C5' | C4' | H4 | 174.4° | 177.8° |
H3 | C5' | C6' | H12 | 49.9° | 64.9° |
H3 | C5' | C6' | H13 | 69.2° | 175.0° |
H4 | C4' | C3' | H5 | 171.9° | 177.2° |
H4 | C4' | O4' | H11 | 61.4° | 59.9° |
H5 | C3' | C2' | H6 | 173.6° | 177.2° |
H5 | C3' | O3' | H10 | 61.5° | 59.7° |
H6 | C2' | C1' | H7 | 178.0° | 177.7° |
H6 | C2' | O2' | H9 | 59.8° | 60.2° |
H12 | C6' | O6' | H14 | 59.5° | 60.0° |
H13 | C6' | O6' | H14 | 59.6° | 60.0° |
H15 | C11 | C10 | H16 | 0.6° | 0.0° |
H18 | C15 | C14 | H19 | 0.4° | 0.0° |
H19 | C14 | C13 | H20 | 0.5° | 0.0° |
H20 | C13 | C12 | H21 | 0.0° | 0.1° |