KVH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.44Å | |
O4' | C4' | sing | 1.43Å | 1.46Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
C3' | C2' | sing | 1.53Å | 1.56Å | |
C4' | C5' | sing | 1.53Å | 1.57Å | |
O2' | C2' | sing | 1.43Å | 1.44Å | |
C2' | C1' | sing | 1.53Å | 1.56Å | |
O6' | C6' | sing | 1.43Å | 1.44Å | |
C5' | C6' | sing | 1.53Å | 1.54Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C1' | O5' | sing | 1.43Å | 1.44Å | |
C1' | C1 | sing | 1.51Å | 1.55Å | |
C2 | C1 | doub | 1.34Å | 1.34Å | Aromatic |
C2 | S3 | sing | 1.76Å | 1.66Å | Aromatic |
C1 | N5 | sing | 1.31Å | 1.35Å | Aromatic |
S3 | C4 | sing | 1.76Å | 1.68Å | Aromatic |
N5 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
C4 | C6 | sing | 1.48Å | 1.34Å | |
C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
C6 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
C8 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.42Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
C9 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C10 | H2 | sing | 1.08Å | 1.08Å | |
C11 | H3 | sing | 1.08Å | 1.08Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.08Å | 1.08Å | |
C14 | H6 | sing | 1.08Å | 1.08Å | |
C15 | H7 | sing | 1.08Å | 1.08Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C5' | H10 | sing | 1.09Å | 1.10Å | |
C6' | H11 | sing | 1.09Å | 1.10Å | |
C6' | H12 | sing | 1.09Å | 1.10Å | |
O6' | H13 | sing | 0.97Å | 0.95Å | |
C4' | H14 | sing | 1.09Å | 1.10Å | |
O4' | H15 | sing | 0.97Å | 0.95Å | |
C3' | H16 | sing | 1.09Å | 1.10Å | |
O3' | H17 | sing | 0.97Å | 0.95Å | |
C2' | H18 | sing | 1.09Å | 1.10Å | |
O2' | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 107.4° | 109.6° |
O3' | C3' | C2' | 112.4° | 109.5° |
O3' | C3' | H16 | 110.0° | 109.6° |
C3' | O3' | H17 | 109.5° | 114.0° |
O4' | C4' | C3' | 108.8° | 109.6° |
O4' | C4' | C5' | 111.8° | 109.5° |
O4' | C4' | H14 | 109.1° | 109.5° |
C4' | O4' | H15 | 109.5° | 114.0° |
C4' | C3' | C2' | 109.8° | 109.0° |
C3' | C4' | C5' | 111.1° | 109.2° |
C3' | C4' | H14 | 108.2° | 109.5° |
C4' | C3' | H16 | 108.9° | 109.5° |
C3' | C2' | O2' | 111.2° | 109.5° |
C3' | C2' | C1' | 110.9° | 109.2° |
C2' | C3' | H16 | 108.3° | 109.6° |
C3' | C2' | H18 | 107.7° | 109.5° |
C4' | C5' | C6' | 111.3° | 109.5° |
C4' | C5' | O5' | 111.3° | 109.4° |
C4' | C5' | H10 | 108.4° | 109.5° |
C5' | C4' | H14 | 107.7° | 109.5° |
O2' | C2' | C1' | 109.9° | 109.6° |
O2' | C2' | H18 | 109.3° | 109.6° |
C2' | O2' | H19 | 109.5° | 114.0° |
C2' | C1' | O5' | 108.9° | 109.5° |
C2' | C1' | C1 | 112.4° | 109.5° |
C2' | C1' | H9 | 108.6° | 109.5° |
C1' | C2' | H18 | 107.7° | 109.5° |
O6' | C6' | C5' | 111.3° | 109.4° |
O6' | C6' | H11 | 109.0° | 109.5° |
O6' | C6' | H12 | 109.0° | 109.5° |
C6' | O6' | H13 | 109.5° | 114.0° |
C6' | C5' | O5' | 107.0° | 109.5° |
C6' | C5' | H10 | 108.7° | 109.5° |
C5' | C6' | H11 | 109.0° | 109.5° |
C5' | C6' | H12 | 109.0° | 109.4° |
C5' | O5' | C1' | 112.0° | 114.1° |
O5' | C5' | H10 | 110.2° | 109.5° |
O5' | C1' | C1 | 107.8° | 109.5° |
O5' | C1' | H9 | 110.4° | 109.5° |
C1' | C1 | C2 | 121.8° | 122.1° |
C1' | C1 | N5 | 123.9° | 122.0° |
C1 | C1' | H9 | 108.8° | 109.4° |
C1 | C2 | S3 | 109.9° | 108.2° |
C2 | C1 | N5 | 114.3° | 115.9° |
C1 | C2 | H8 | 125.1° | 125.9° |
C2 | S3 | C4 | 93.5° | 89.8° |
S3 | C2 | H8 | 125.0° | 125.9° |
C1 | N5 | C4 | 113.0° | 117.0° |
S3 | C4 | N5 | 109.3° | 109.1° |
S3 | C4 | C6 | 123.8° | 125.5° |
N5 | C4 | C6 | 126.8° | 125.5° |
C4 | C6 | C7 | 120.6° | 119.8° |
C4 | C6 | C11 | 120.1° | 119.7° |
C7 | C6 | C11 | 119.3° | 120.5° |
C6 | C7 | C8 | 120.5° | 119.5° |
C6 | C7 | H1 | 119.8° | 120.3° |
C6 | C11 | C10 | 120.5° | 120.9° |
C6 | C11 | H3 | 119.7° | 119.6° |
C7 | C8 | C12 | 120.3° | 121.2° |
C7 | C8 | C9 | 119.5° | 119.5° |
C8 | C7 | H1 | 119.8° | 120.3° |
C11 | C10 | C9 | 120.0° | 120.0° |
C11 | C10 | H2 | 120.0° | 120.0° |
C10 | C11 | H3 | 119.8° | 119.5° |
C12 | C8 | C9 | 120.2° | 119.3° |
C8 | C12 | C13 | 120.2° | 119.7° |
C8 | C12 | H4 | 119.9° | 120.1° |
C8 | C9 | C10 | 120.2° | 119.7° |
C8 | C9 | C15 | 119.7° | 119.3° |
C12 | C13 | C14 | 119.5° | 120.9° |
C13 | C12 | H4 | 119.9° | 120.2° |
C12 | C13 | H5 | 120.3° | 119.5° |
C10 | C9 | C15 | 120.1° | 121.0° |
C9 | C10 | H2 | 120.0° | 120.0° |
C9 | C15 | C14 | 119.9° | 119.7° |
C9 | C15 | H7 | 120.1° | 120.2° |
C13 | C14 | C15 | 120.6° | 121.0° |
C14 | C13 | H5 | 120.3° | 119.5° |
C13 | C14 | H6 | 119.7° | 119.4° |
C15 | C14 | H6 | 119.7° | 119.5° |
C14 | C15 | H7 | 120.0° | 120.1° |
H11 | C6' | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 64.4° | 63.2° |
O3' | C3' | C4' | C2' | 122.5° | 119.9° |
O3' | C3' | C4' | H16 | 119.0° | 120.2° |
O3' | C3' | C2' | H16 | 121.7° | 120.3° |
O3' | C3' | C4' | C5' | 172.1° | 176.8° |
O3' | C3' | C2' | O2' | 66.1° | 63.2° |
O3' | C3' | C2' | C1' | 171.4° | 176.8° |
O3' | C3' | C4' | H14 | 54.0° | 56.9° |
O3' | C3' | C2' | H18 | 53.8° | 57.0° |
O4' | C4' | C3' | C5' | 123.5° | 120.0° |
O4' | C4' | C3' | H14 | 118.4° | 120.1° |
O4' | C4' | C3' | C2' | 173.0° | 176.9° |
O4' | C4' | C5' | H14 | 119.8° | 120.1° |
O4' | C4' | C5' | C6' | 64.0° | 62.4° |
O4' | C4' | C5' | O5' | 176.7° | 177.6° |
O4' | C4' | C5' | H10 | 55.5° | 57.6° |
O4' | C4' | C3' | H16 | 54.6° | 57.0° |
C4' | C3' | C2' | H16 | 118.8° | 119.8° |
C3' | C4' | C5' | H14 | 118.4° | 119.9° |
C4' | C3' | C2' | O2' | 174.4° | 176.9° |
C4' | C3' | C2' | C1' | 51.9° | 56.9° |
C3' | C4' | C5' | C6' | 174.2° | 177.6° |
C3' | C4' | C5' | O5' | 55.0° | 57.6° |
C3' | C4' | C5' | H10 | 66.3° | 62.4° |
C3' | C4' | O4' | H15 | 180.0° | 60.2° |
C4' | C3' | O3' | H17 | 180.0° | 180.0° |
C4' | C3' | C2' | H18 | 65.8° | 62.9° |
C2' | C3' | C4' | C5' | 49.5° | 57.0° |
C3' | C2' | O2' | C1' | 123.1° | 119.7° |
C3' | C2' | O2' | H18 | 118.8° | 120.1° |
C3' | C2' | C1' | H18 | 117.6° | 119.9° |
C3' | C2' | C1' | O5' | 57.9° | 57.6° |
C3' | C2' | C1' | C1 | 177.2° | 177.6° |
C3' | C2' | C1' | H9 | 62.3° | 62.4° |
C2' | C3' | C4' | H14 | 68.5° | 63.0° |
C2' | C3' | O3' | H17 | 59.1° | 60.5° |
C3' | C2' | O2' | H19 | 180.0° | 60.0° |
C4' | C5' | C6' | O6' | 46.7° | 175.1° |
C4' | C5' | C6' | O5' | 121.7° | 119.9° |
C4' | C5' | C6' | H10 | 119.3° | 120.0° |
C4' | C5' | O5' | H10 | 120.2° | 120.0° |
C4' | C5' | O5' | C1' | 62.6° | 61.1° |
C4' | C5' | C6' | H11 | 73.6° | 55.1° |
C4' | C5' | C6' | H12 | 167.0° | 65.0° |
C5' | C4' | O4' | H15 | 56.9° | 180.0° |
C5' | C4' | C3' | H16 | 68.9° | 62.9° |
O2' | C2' | C1' | H18 | 119.0° | 120.2° |
O2' | C2' | C1' | O5' | 178.8° | 177.5° |
O2' | C2' | C1' | C1 | 59.4° | 62.5° |
O2' | C2' | C1' | H9 | 61.0° | 57.5° |
O2' | C2' | C3' | H16 | 55.7° | 57.0° |
C2' | C1' | O5' | C5' | 63.7° | 61.1° |
C2' | C1' | O5' | C1 | 122.2° | 120.0° |
C2' | C1' | O5' | H9 | 119.1° | 120.0° |
C2' | C1' | C1 | H9 | 120.4° | 120.0° |
C2' | C1' | C1 | C2 | 32.7° | 125.3° |
C2' | C1' | C1 | N5 | 148.9° | 55.0° |
C1' | C2' | C3' | H16 | 66.9° | 62.9° |
C1' | C2' | O2' | H19 | 56.9° | 179.7° |
O6' | C6' | C5' | H11 | 120.3° | 120.0° |
O6' | C6' | C5' | H12 | 120.3° | 120.0° |
O6' | C6' | C5' | O5' | 75.0° | 65.0° |
O6' | C6' | C5' | H10 | 166.0° | 55.0° |
O6' | C6' | H11 | H12 | 119.2° | 120.0° |
C6' | C5' | O5' | H10 | 118.0° | 120.0° |
C6' | C5' | O5' | C1' | 175.7° | 178.9° |
C5' | C6' | H11 | H12 | 119.2° | 120.0° |
C5' | C6' | O6' | H13 | 180.0° | 179.9° |
C6' | C5' | C4' | H14 | 55.8° | 57.7° |
C5' | O5' | C1' | C1 | 174.1° | 178.8° |
C5' | O5' | C1' | H9 | 55.4° | 58.9° |
O5' | C5' | C6' | H11 | 164.7° | 175.0° |
O5' | C5' | C6' | H12 | 45.2° | 54.9° |
O5' | C5' | C4' | H14 | 63.4° | 62.3° |
O5' | C1' | C1 | H9 | 119.7° | 120.0° |
O5' | C1' | C1 | C2 | 87.2° | 114.7° |
O5' | C1' | C1 | N5 | 91.1° | 65.0° |
C1' | O5' | C5' | H10 | 57.6° | 58.9° |
O5' | C1' | C2' | H18 | 59.7° | 62.3° |
C1' | C1 | C2 | N5 | 178.5° | 179.7° |
C1' | C1 | C2 | S3 | 178.9° | 179.7° |
C1' | C1 | N5 | C4 | 179.9° | 179.7° |
C1' | C1 | C2 | H8 | 1.2° | 0.4° |
C1 | C1' | C2' | H18 | 59.6° | 57.7° |
C1 | C2 | S3 | H8 | 180.0° | 179.9° |
C1 | C2 | S3 | C4 | 0.6° | 0.0° |
C2 | C1 | N5 | C4 | 1.5° | 0.0° |
C2 | C1 | C1' | H9 | 153.1° | 5.3° |
S3 | C2 | C1 | N5 | 0.3° | 0.1° |
C2 | S3 | C4 | N5 | 1.4° | 0.0° |
C2 | S3 | C4 | C6 | 178.9° | 180.0° |
C1 | N5 | C4 | S3 | 1.9° | 0.0° |
C1 | N5 | C4 | C6 | 179.3° | 180.0° |
N5 | C1 | C2 | H8 | 179.7° | 179.9° |
N5 | C1 | C1' | H9 | 28.6° | 175.0° |
S3 | C4 | N5 | C6 | 177.4° | 180.0° |
S3 | C4 | C6 | C7 | 6.7° | 0.0° |
S3 | C4 | C6 | C11 | 171.7° | 180.0° |
C4 | S3 | C2 | H8 | 179.4° | 179.9° |
N5 | C4 | C6 | C7 | 176.3° | 180.0° |
N5 | C4 | C6 | C11 | 5.3° | 0.0° |
C4 | C6 | C7 | C11 | 178.4° | 180.0° |
C4 | C6 | C7 | C8 | 179.2° | 180.0° |
C4 | C6 | C11 | C10 | 178.7° | 179.7° |
C4 | C6 | C7 | H1 | 0.8° | 0.0° |
C4 | C6 | C11 | H3 | 1.3° | 0.0° |
C6 | C7 | C8 | H1 | 180.0° | 180.0° |
C7 | C6 | C11 | C10 | 0.3° | 0.3° |
C6 | C7 | C8 | C12 | 179.4° | 180.0° |
C6 | C7 | C8 | C9 | 0.8° | 0.2° |
C7 | C6 | C11 | H3 | 179.7° | 180.0° |
C11 | C6 | C7 | C8 | 0.8° | 0.0° |
C6 | C11 | C10 | H3 | 180.0° | 179.7° |
C6 | C11 | C10 | C9 | 0.2° | 0.3° |
C11 | C6 | C7 | H1 | 179.2° | 180.0° |
C6 | C11 | C10 | H2 | 179.7° | 179.7° |
C7 | C8 | C12 | C9 | 179.8° | 179.8° |
C7 | C8 | C12 | C13 | 179.6° | 179.7° |
C7 | C8 | C9 | C10 | 0.3° | 0.2° |
C7 | C8 | C9 | C15 | 179.5° | 179.7° |
C7 | C8 | C12 | H4 | 0.3° | 0.2° |
C11 | C10 | C9 | C8 | 0.2° | 0.1° |
C11 | C10 | C9 | H2 | 180.0° | 180.0° |
C11 | C10 | C9 | C15 | 179.9° | 180.0° |
C8 | C12 | C13 | H4 | 180.0° | 180.0° |
C12 | C8 | C9 | C10 | 179.9° | 180.0° |
C12 | C8 | C9 | C15 | 0.3° | 0.0° |
C8 | C12 | C13 | C14 | 0.1° | 0.0° |
C12 | C8 | C7 | H1 | 0.6° | 0.0° |
C8 | C12 | C13 | H5 | 179.9° | 179.9° |
C9 | C8 | C12 | C13 | 0.2° | 0.0° |
C8 | C9 | C10 | C15 | 179.8° | 179.9° |
C8 | C9 | C15 | C14 | 0.2° | 0.0° |
C9 | C8 | C7 | H1 | 179.2° | 179.8° |
C8 | C9 | C10 | H2 | 179.8° | 180.0° |
C9 | C8 | C12 | H4 | 179.9° | 180.0° |
C8 | C9 | C15 | H7 | 179.9° | 180.0° |
C12 | C13 | C14 | H5 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 0.2° | 0.0° |
C12 | C13 | C14 | H6 | 179.8° | 180.0° |
C10 | C9 | C15 | C14 | 180.0° | 179.9° |
C9 | C10 | C11 | H3 | 179.8° | 180.0° |
C10 | C9 | C15 | H7 | 0.0° | 0.0° |
C9 | C15 | C14 | C13 | 0.1° | 0.0° |
C9 | C15 | C14 | H7 | 180.0° | 180.0° |
C15 | C9 | C10 | H2 | 0.1° | 0.0° |
C9 | C15 | C14 | H6 | 179.9° | 180.0° |
C13 | C14 | C15 | H6 | 180.0° | 180.0° |
C14 | C13 | C12 | H4 | 179.9° | 180.0° |
C13 | C14 | C15 | H7 | 179.9° | 180.0° |
C15 | C14 | C13 | H5 | 179.8° | 180.0° |
H2 | C10 | C11 | H3 | 0.2° | 0.0° |
H4 | C12 | C13 | H5 | 0.1° | 0.1° |
H5 | C13 | C14 | H6 | 0.2° | 0.0° |
H6 | C14 | C15 | H7 | 0.1° | 0.0° |
H9 | C1' | C2' | H18 | 179.9° | 177.7° |
H10 | C5' | C6' | H11 | 45.7° | 65.0° |
H10 | C5' | C6' | H12 | 73.8° | 175.0° |
H10 | C5' | C4' | H14 | 175.3° | 177.7° |
H11 | C6' | O6' | H13 | 59.8° | 60.1° |
H12 | C6' | O6' | H13 | 59.7° | 60.0° |
H14 | C4' | O4' | H15 | 62.1° | 59.9° |
H14 | C4' | C3' | H16 | 173.0° | 177.1° |
H16 | C3' | O3' | H17 | 61.7° | 59.8° |
H16 | C3' | C2' | H18 | 175.5° | 177.2° |
H18 | C2' | O2' | H19 | 61.2° | 60.1° |