CFU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.50Å | 1.51Å | |
C2 | S1 | sing | 1.82Å | 1.77Å | |
O4A | C4' | doub | 1.21Å | 1.24Å | |
C3 | C3' | sing | 1.51Å | 1.32Å | |
C3 | C4 | doub | 1.31Å | 1.47Å | |
S1 | C6 | sing | 1.82Å | 1.76Å | |
C6 | N5 | sing | 1.47Å | 1.45Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C4 | C4' | sing | 1.47Å | 1.34Å | |
C4 | N5 | sing | 1.39Å | 1.26Å | |
C4' | O4B | sing | 1.35Å | 1.24Å | |
C7 | C8 | sing | 1.51Å | 1.53Å | |
C7 | N10 | sing | 1.47Å | 1.48Å | |
C8 | O9 | doub | 1.21Å | 1.24Å | |
N10 | C11 | sing | 1.35Å | 1.34Å | |
O12 | C11 | doub | 1.21Å | 1.20Å | |
C11 | C13 | sing | 1.51Å | 1.52Å | |
O4B | H1 | sing | 0.97Å | 0.95Å | |
C3' | H3 | sing | 1.09Å | 1.10Å | |
C3' | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
N5 | H7 | sing | 0.97Å | 1.00Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.08Å | 1.08Å | |
N10 | H12 | sing | 0.97Å | 1.00Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C13 | H15 | sing | 1.09Å | 1.10Å | |
C3' | H2 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | S1 | 110.5° | 109.4° |
C2 | C3 | C3' | 119.4° | 117.2° |
C2 | C3 | C4 | 119.2° | 125.7° |
C3 | C2 | H5 | 109.2° | 109.5° |
C3 | C2 | H6 | 109.2° | 109.5° |
C2 | S1 | C6 | 101.5° | 101.2° |
S1 | C2 | H5 | 109.2° | 109.5° |
S1 | C2 | H6 | 109.2° | 109.5° |
O4A | C4' | C4 | 120.7° | 120.0° |
O4A | C4' | O4B | 122.4° | 120.0° |
C3' | C3 | C4 | 121.3° | 117.2° |
C3 | C3' | H3 | 109.5° | 109.5° |
C3 | C3' | H4 | 109.4° | 109.5° |
C3 | C3' | H2 | 109.5° | 109.5° |
C3 | C4 | C4' | 127.5° | 116.3° |
C3 | C4 | N5 | 116.8° | 127.3° |
S1 | C6 | N5 | 106.7° | 107.3° |
S1 | C6 | C7 | 112.1° | 110.0° |
S1 | C6 | H9 | 108.4° | 109.9° |
N5 | C6 | C7 | 105.9° | 110.0° |
C6 | N5 | C4 | 125.3° | 121.0° |
C6 | N5 | H7 | 105.4° | 119.5° |
N5 | C6 | H9 | 112.5° | 109.7° |
C6 | C7 | C8 | 109.6° | 109.5° |
C6 | C7 | N10 | 103.9° | 109.5° |
C7 | C6 | H9 | 111.2° | 110.0° |
C6 | C7 | H10 | 108.6° | 109.5° |
C4' | C4 | N5 | 115.6° | 116.4° |
C4 | C4' | O4B | 116.9° | 120.0° |
C4 | N5 | H7 | 105.4° | 119.5° |
C4' | O4B | H1 | 109.5° | 117.0° |
C8 | C7 | N10 | 116.2° | 109.4° |
C7 | C8 | O9 | 120.2° | 120.0° |
C8 | C7 | H10 | 108.7° | 109.5° |
C7 | C8 | H11 | 119.9° | 119.9° |
C7 | N10 | C11 | 125.6° | 120.0° |
N10 | C7 | H10 | 109.5° | 109.5° |
C7 | N10 | H12 | 117.2° | 119.9° |
O9 | C8 | H11 | 119.9° | 120.0° |
N10 | C11 | O12 | 119.0° | 120.0° |
N10 | C11 | C13 | 119.1° | 120.0° |
C11 | N10 | H12 | 117.2° | 120.1° |
O12 | C11 | C13 | 121.9° | 120.0° |
C11 | C13 | H13 | 109.5° | 109.4° |
C11 | C13 | H14 | 109.5° | 109.4° |
C11 | C13 | H15 | 109.5° | 109.5° |
H3 | C3' | H4 | 109.5° | 109.4° |
H3 | C3' | H2 | 109.5° | 109.4° |
H4 | C3' | H2 | 109.5° | 109.5° |
H5 | C2 | H6 | 109.5° | 109.5° |
H13 | C13 | H14 | 109.5° | 109.5° |
H13 | C13 | H15 | 109.5° | 109.5° |
H14 | C13 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | S1 | H5 | 120.2° | 120.0° |
C3 | C2 | S1 | H6 | 120.2° | 120.0° |
C2 | C3 | C3' | C4 | 178.1° | 180.0° |
C3 | C2 | S1 | C6 | 47.6° | 45.2° |
C2 | C3 | C4 | C4' | 144.7° | 179.1° |
C2 | C3 | C4 | N5 | 37.7° | 0.6° |
C2 | C3 | C3' | H3 | 180.0° | 95.3° |
C2 | C3 | C3' | H4 | 60.0° | 24.6° |
C3 | C2 | H5 | H6 | 119.5° | 120.1° |
C2 | C3 | C3' | H2 | 60.0° | 144.7° |
S1 | C2 | C3 | C3' | 136.4° | 158.7° |
S1 | C2 | C3 | C4 | 41.8° | 21.3° |
C2 | S1 | C6 | N5 | 51.9° | 56.1° |
C2 | S1 | C6 | C7 | 167.3° | 175.7° |
S1 | C2 | H5 | H6 | 119.5° | 120.0° |
C2 | S1 | C6 | H9 | 69.6° | 63.1° |
O4A | C4' | C4 | C3 | 75.0° | 90.1° |
O4A | C4' | C4 | O4B | 178.5° | 179.8° |
O4A | C4' | C4 | N5 | 107.4° | 89.7° |
O4A | C4' | O4B | H1 | 0.0° | 0.0° |
C3' | C3 | C4 | C4' | 37.1° | 0.9° |
C3' | C3 | C4 | N5 | 140.5° | 179.4° |
C3 | C3' | H3 | H4 | 120.0° | 120.0° |
C3 | C3' | H3 | H2 | 120.0° | 120.0° |
C3 | C3' | H4 | H2 | 120.0° | 120.0° |
C3' | C3 | C2 | H5 | 16.2° | 38.8° |
C3' | C3 | C2 | H6 | 103.4° | 81.3° |
C3 | C4 | N5 | C6 | 49.3° | 14.3° |
C3 | C4 | C4' | N5 | 177.6° | 179.7° |
C3 | C4 | C4' | O4B | 103.5° | 89.7° |
C4 | C3 | C3' | H3 | 1.8° | 84.7° |
C4 | C3 | C3' | H4 | 121.8° | 155.4° |
C4 | C3 | C2 | H5 | 161.9° | 141.2° |
C4 | C3 | C2 | H6 | 78.4° | 98.7° |
C3 | C4 | N5 | H7 | 72.9° | 165.5° |
C4 | C3 | C3' | H2 | 118.1° | 35.3° |
S1 | C6 | N5 | C7 | 119.5° | 119.6° |
S1 | C6 | N5 | H9 | 118.8° | 119.4° |
S1 | C6 | C7 | H9 | 121.5° | 121.2° |
S1 | C6 | N5 | C4 | 59.7° | 44.3° |
S1 | C6 | C7 | C8 | 179.6° | 60.0° |
S1 | C6 | C7 | N10 | 54.8° | 60.0° |
C6 | S1 | C2 | H5 | 167.7° | 165.2° |
C6 | S1 | C2 | H6 | 72.6° | 74.8° |
S1 | C6 | N5 | H7 | 62.4° | 135.5° |
S1 | C6 | C7 | H10 | 61.7° | 180.0° |
N5 | C6 | C7 | H9 | 122.5° | 120.9° |
C6 | N5 | C4 | C4' | 132.9° | 165.4° |
C6 | N5 | C4 | H7 | 122.1° | 179.8° |
N5 | C6 | C7 | C8 | 63.7° | 58.0° |
N5 | C6 | C7 | N10 | 61.1° | 177.9° |
N5 | C6 | C7 | H10 | 177.6° | 62.1° |
C7 | C6 | N5 | C4 | 179.2° | 163.9° |
C6 | C7 | C8 | N10 | 117.3° | 120.0° |
C6 | C7 | C8 | H10 | 118.6° | 120.1° |
C6 | C7 | N10 | H10 | 115.9° | 120.1° |
C6 | C7 | C8 | O9 | 78.1° | 120.0° |
C6 | C7 | N10 | C11 | 125.8° | 155.0° |
C7 | C6 | N5 | H7 | 57.1° | 15.9° |
C6 | C7 | C8 | H11 | 101.9° | 60.0° |
C6 | C7 | N10 | H12 | 54.2° | 25.0° |
C4 | C4' | O4B | H1 | 178.5° | 179.8° |
C4' | C4 | N5 | H7 | 105.0° | 14.8° |
N5 | C4 | C4' | O4B | 74.1° | 90.5° |
C4 | N5 | C6 | H9 | 59.1° | 75.0° |
C8 | C7 | N10 | H10 | 123.7° | 120.0° |
C7 | C8 | O9 | H11 | 180.0° | 180.0° |
C8 | C7 | N10 | C11 | 113.7° | 85.0° |
C8 | C7 | C6 | H9 | 58.8° | 178.9° |
C8 | C7 | N10 | H12 | 66.3° | 95.0° |
N10 | C7 | C8 | O9 | 39.2° | 0.0° |
C7 | N10 | C11 | H12 | 180.0° | 180.0° |
C7 | N10 | C11 | O12 | 1.3° | 0.1° |
C7 | N10 | C11 | C13 | 177.7° | 180.0° |
N10 | C7 | C6 | H9 | 176.3° | 61.2° |
N10 | C7 | C8 | H11 | 140.8° | 180.0° |
O9 | C8 | C7 | H10 | 163.2° | 119.9° |
N10 | C11 | O12 | C13 | 179.0° | 179.9° |
C11 | N10 | C7 | H10 | 9.9° | 34.9° |
N10 | C11 | C13 | H13 | 179.0° | 0.1° |
N10 | C11 | C13 | H14 | 61.0° | 120.1° |
N10 | C11 | C13 | H15 | 59.0° | 119.9° |
O12 | C11 | N10 | H12 | 178.7° | 179.9° |
O12 | C11 | C13 | H13 | 0.0° | 179.9° |
O12 | C11 | C13 | H14 | 120.0° | 60.1° |
O12 | C11 | C13 | H15 | 120.0° | 59.9° |
C13 | C11 | N10 | H12 | 2.3° | 0.1° |
C11 | C13 | H13 | H14 | 120.0° | 119.9° |
C11 | C13 | H13 | H15 | 120.0° | 120.0° |
C11 | C13 | H14 | H15 | 120.0° | 120.0° |
H3 | C3' | H4 | H2 | 120.0° | 120.0° |
H7 | N5 | C6 | H9 | 178.8° | 105.2° |
H9 | C6 | C7 | H10 | 59.8° | 58.8° |
H10 | C7 | C8 | H11 | 16.8° | 60.0° |
H10 | C7 | N10 | H12 | 170.1° | 145.0° |
H13 | C13 | H14 | H15 | 120.0° | 120.0° |