8EL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N4' | C4' | sing | 1.39Å | 1.34Å | |
O1A | PA | doub | 1.48Å | 1.48Å | |
N3' | C4' | doub | 1.33Å | 1.37Å | Aromatic |
N3' | C2' | sing | 1.32Å | 1.32Å | Aromatic |
CM2 | C2' | sing | 1.51Å | 1.44Å | |
O1B | PB | doub | 1.48Å | 1.44Å | |
O3B | PB | sing | 1.61Å | 1.46Å | |
C4' | C5' | sing | 1.40Å | 1.44Å | Aromatic |
O3A | PB | sing | 1.61Å | 1.57Å | |
O3A | PA | sing | 1.61Å | 1.60Å | |
C2' | N1' | doub | 1.32Å | 1.38Å | Aromatic |
PB | O2B | sing | 1.61Å | 1.61Å | |
PA | O2A | sing | 1.61Å | 1.46Å | |
PA | O7 | sing | 1.61Å | 1.59Å | |
S1 | C2 | sing | 1.83Å | 1.80Å | |
S1 | C5 | sing | 1.78Å | 1.75Å | |
C2 | N3 | sing | 1.47Å | 1.46Å | |
C7 | O7 | sing | 1.43Å | 1.43Å | |
C7 | C6 | sing | 1.53Å | 1.50Å | |
C5' | C6' | doub | 1.38Å | 1.37Å | Aromatic |
C5' | C7' | sing | 1.51Å | 1.47Å | |
N1' | C6' | sing | 1.33Å | 1.39Å | Aromatic |
N3 | C7' | sing | 1.46Å | 1.47Å | |
N3 | C4 | sing | 1.38Å | 1.36Å | |
C5 | C6 | sing | 1.51Å | 1.49Å | |
C5 | C4 | doub | 1.32Å | 1.35Å | |
C4 | CM4 | sing | 1.51Å | 1.51Å | |
C6' | H1 | sing | 1.08Å | 1.08Å | |
CM4 | H2 | sing | 1.09Å | 1.10Å | |
CM4 | H3 | sing | 1.09Å | 1.10Å | |
CM4 | H4 | sing | 1.09Å | 1.10Å | |
CM2 | H5 | sing | 1.09Å | 1.10Å | |
CM2 | H6 | sing | 1.09Å | 1.10Å | |
CM2 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H13 | sing | 1.09Å | 1.10Å | |
C7' | H14 | sing | 1.09Å | 1.10Å | |
C7' | H15 | sing | 1.09Å | 1.10Å | |
N4' | H16 | sing | 0.97Å | 1.00Å | |
N4' | H17 | sing | 0.97Å | 1.00Å | |
O2B | H18 | sing | 0.97Å | 0.95Å | |
O3B | H19 | sing | 0.97Å | 0.95Å | |
O2A | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N4' | C4' | N3' | 116.1° | 120.5° |
N4' | C4' | C5' | 121.9° | 120.5° |
C4' | N4' | H16 | 109.5° | 120.0° |
C4' | N4' | H17 | 109.5° | 120.0° |
O1A | PA | O3A | 109.0° | 109.5° |
O1A | PA | O2A | 116.6° | 109.4° |
O1A | PA | O7 | 113.1° | 109.4° |
C4' | N3' | C2' | 118.8° | 120.7° |
N3' | C4' | C5' | 122.0° | 118.9° |
N3' | C2' | CM2 | 120.8° | 119.0° |
N3' | C2' | N1' | 122.0° | 121.9° |
CM2 | C2' | N1' | 117.2° | 119.1° |
C2' | CM2 | H5 | 109.5° | 109.5° |
C2' | CM2 | H6 | 109.4° | 109.5° |
C2' | CM2 | H7 | 109.5° | 109.5° |
O1B | PB | O3B | 122.1° | 109.5° |
O1B | PB | O3A | 108.2° | 109.5° |
O1B | PB | O2B | 105.1° | 109.5° |
O3B | PB | O3A | 110.4° | 109.4° |
O3B | PB | O2B | 105.3° | 109.5° |
PB | O3B | H19 | 109.5° | 114.0° |
C4' | C5' | C6' | 116.5° | 118.3° |
C4' | C5' | C7' | 125.2° | 120.8° |
PB | O3A | PA | 133.8° | 134.0° |
O3A | PB | O2B | 104.2° | 109.4° |
O3A | PA | O2A | 109.9° | 109.5° |
O3A | PA | O7 | 101.4° | 109.5° |
C2' | N1' | C6' | 120.7° | 121.0° |
PB | O2B | H18 | 109.5° | 114.0° |
O2A | PA | O7 | 105.8° | 109.5° |
PA | O2A | H20 | 109.5° | 114.0° |
PA | O7 | C7 | 111.4° | 123.0° |
C2 | S1 | C5 | 88.2° | 95.9° |
S1 | C2 | N3 | 104.0° | 102.2° |
S1 | C2 | H12 | 110.8° | 110.8° |
S1 | C2 | H13 | 110.8° | 111.0° |
S1 | C5 | C6 | 118.2° | 126.9° |
S1 | C5 | C4 | 113.0° | 106.2° |
C2 | N3 | C7' | 123.0° | 122.7° |
C2 | N3 | C4 | 111.2° | 114.5° |
N3 | C2 | H12 | 110.8° | 110.9° |
N3 | C2 | H13 | 110.8° | 110.9° |
O7 | C7 | C6 | 108.6° | 109.5° |
O7 | C7 | H8 | 109.7° | 109.5° |
O7 | C7 | H9 | 109.7° | 109.5° |
C7 | C6 | C5 | 111.2° | 109.5° |
C6 | C7 | H8 | 109.7° | 109.5° |
C6 | C7 | H9 | 109.7° | 109.5° |
C7 | C6 | H10 | 109.0° | 109.5° |
C7 | C6 | H11 | 109.1° | 109.5° |
C6' | C5' | C7' | 118.3° | 120.9° |
C5' | C6' | N1' | 119.8° | 119.2° |
C5' | C6' | H1 | 120.1° | 120.4° |
C5' | C7' | N3 | 112.2° | 109.5° |
C5' | C7' | H14 | 108.8° | 109.4° |
C5' | C7' | H15 | 108.8° | 109.4° |
N1' | C6' | H1 | 120.1° | 120.4° |
C7' | N3 | C4 | 121.9° | 122.7° |
N3 | C7' | H14 | 108.8° | 109.5° |
N3 | C7' | H15 | 108.8° | 109.5° |
N3 | C4 | C5 | 112.4° | 121.2° |
N3 | C4 | CM4 | 123.8° | 119.4° |
C6 | C5 | C4 | 128.8° | 126.9° |
C5 | C6 | H10 | 109.0° | 109.5° |
C5 | C6 | H11 | 109.0° | 109.5° |
C5 | C4 | CM4 | 123.8° | 119.4° |
C4 | CM4 | H2 | 109.5° | 109.5° |
C4 | CM4 | H3 | 109.5° | 109.5° |
C4 | CM4 | H4 | 109.5° | 109.5° |
H2 | CM4 | H3 | 109.5° | 109.4° |
H2 | CM4 | H4 | 109.5° | 109.5° |
H3 | CM4 | H4 | 109.5° | 109.4° |
H5 | CM2 | H6 | 109.5° | 109.5° |
H5 | CM2 | H7 | 109.5° | 109.5° |
H6 | CM2 | H7 | 109.5° | 109.4° |
H8 | C7 | H9 | 109.5° | 109.5° |
H10 | C6 | H11 | 109.5° | 109.5° |
H12 | C2 | H13 | 109.5° | 110.8° |
H14 | C7' | H15 | 109.4° | 109.5° |
H16 | N4' | H17 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N4' | C4' | N3' | C5' | 179.9° | 179.7° |
N4' | C4' | N3' | C2' | 176.1° | 179.7° |
N4' | C4' | C5' | C6' | 178.5° | 179.7° |
N4' | C4' | C5' | C7' | 0.3° | 0.3° |
C4' | N4' | H16 | H17 | 120.0° | 180.0° |
O1A | PA | O3A | PB | 141.3° | 40.0° |
O1A | PA | O3A | O2A | 128.8° | 120.0° |
O1A | PA | O3A | O7 | 119.5° | 120.0° |
O1A | PA | O2A | O7 | 126.7° | 119.9° |
O1A | PA | O7 | C7 | 38.1° | 55.0° |
O1A | PA | O2A | H20 | 0.0° | 179.9° |
C4' | N3' | C2' | CM2 | 176.1° | 180.0° |
C4' | N3' | C2' | N1' | 4.7° | 0.0° |
N3' | C4' | C5' | C6' | 1.4° | 0.0° |
N3' | C4' | C5' | C7' | 179.6° | 180.0° |
N3' | C4' | N4' | H16 | 0.0° | 173.3° |
N3' | C4' | N4' | H17 | 120.0° | 6.6° |
N3' | C2' | CM2 | N1' | 179.2° | 180.0° |
C2' | N3' | C4' | C5' | 3.8° | 0.0° |
N3' | C2' | N1' | C6' | 3.3° | 0.0° |
N3' | C2' | CM2 | H5 | 0.0° | 90.0° |
N3' | C2' | CM2 | H6 | 120.0° | 150.0° |
N3' | C2' | CM2 | H7 | 120.0° | 30.0° |
CM2 | C2' | N1' | C6' | 177.5° | 180.0° |
C2' | CM2 | H5 | H6 | 120.0° | 120.0° |
C2' | CM2 | H5 | H7 | 120.0° | 120.1° |
C2' | CM2 | H6 | H7 | 120.0° | 120.0° |
O1B | PB | O3B | O3A | 128.8° | 120.0° |
O1B | PB | O3B | O2B | 119.4° | 120.1° |
O1B | PB | O3A | O2B | 111.5° | 120.0° |
O1B | PB | O3A | PA | 173.4° | 45.0° |
O1B | PB | O2B | H18 | 0.0° | 180.0° |
O1B | PB | O3B | H19 | 0.0° | 60.1° |
O3B | PB | O3A | O2B | 112.6° | 120.0° |
O3B | PB | O3A | PA | 50.6° | 165.0° |
O3B | PB | O2B | H18 | 130.1° | 60.0° |
C4' | C5' | C6' | C7' | 178.3° | 180.0° |
C4' | C5' | C6' | N1' | 0.0° | 0.0° |
C4' | C5' | C7' | N3 | 65.1° | 81.6° |
C4' | C5' | C6' | H1 | 180.0° | 180.0° |
C4' | C5' | C7' | H14 | 55.3° | 158.4° |
C4' | C5' | C7' | H15 | 174.5° | 38.5° |
C5' | C4' | N4' | H16 | 179.9° | 6.9° |
C5' | C4' | N4' | H17 | 59.9° | 173.1° |
PB | O3A | PA | O2A | 12.4° | 80.0° |
PB | O3A | PA | O7 | 99.2° | 160.0° |
O3A | PB | O2B | H18 | 113.7° | 60.0° |
O3A | PB | O3B | H19 | 128.8° | 179.9° |
PA | O3A | PB | O2B | 61.9° | 75.0° |
O3A | PA | O2A | O7 | 108.7° | 120.1° |
O3A | PA | O7 | C7 | 78.4° | 175.0° |
O3A | PA | O2A | H20 | 124.5° | 60.1° |
C2' | N1' | C6' | C5' | 0.8° | 0.0° |
C2' | N1' | C6' | H1 | 179.2° | 180.0° |
N1' | C2' | CM2 | H5 | 179.2° | 89.9° |
N1' | C2' | CM2 | H6 | 59.2° | 30.1° |
N1' | C2' | CM2 | H7 | 60.8° | 150.0° |
O2B | PB | O3B | H19 | 119.4° | 60.0° |
O2A | PA | O7 | C7 | 166.9° | 64.9° |
PA | O7 | C7 | C6 | 162.5° | 180.0° |
PA | O7 | C7 | H8 | 42.7° | 60.0° |
PA | O7 | C7 | H9 | 77.6° | 60.0° |
O7 | PA | O2A | H20 | 126.7° | 60.0° |
S1 | C2 | N3 | H12 | 119.1° | 118.1° |
S1 | C2 | N3 | H13 | 119.1° | 118.3° |
S1 | C2 | N3 | C7' | 166.9° | 180.0° |
S1 | C2 | N3 | C4 | 34.9° | 0.0° |
C2 | S1 | C5 | C6 | 161.7° | 180.0° |
C2 | S1 | C5 | C4 | 16.8° | 0.0° |
S1 | C2 | H12 | H13 | 122.5° | 123.7° |
C5 | S1 | C2 | N3 | 27.8° | 0.0° |
S1 | C5 | C6 | C7 | 60.3° | 85.1° |
S1 | C5 | C4 | N3 | 1.0° | 0.0° |
S1 | C5 | C6 | C4 | 178.3° | 180.0° |
S1 | C5 | C4 | CM4 | 178.7° | 180.0° |
S1 | C5 | C6 | H10 | 179.5° | 154.9° |
S1 | C5 | C6 | H11 | 60.0° | 34.9° |
C5 | S1 | C2 | H12 | 91.3° | 118.2° |
C5 | S1 | C2 | H13 | 146.9° | 118.3° |
C2 | N3 | C7' | C5' | 118.7° | 87.4° |
C2 | N3 | C7' | C4 | 155.9° | 179.9° |
C2 | N3 | C4 | C5 | 24.2° | 0.0° |
C2 | N3 | C4 | CM4 | 158.1° | 180.0° |
N3 | C2 | H12 | H13 | 122.5° | 123.6° |
C2 | N3 | C7' | H14 | 1.7° | 152.6° |
C2 | N3 | C7' | H15 | 120.9° | 32.5° |
O7 | C7 | C6 | H8 | 119.9° | 120.0° |
O7 | C7 | C6 | H9 | 119.9° | 120.0° |
O7 | C7 | C6 | C5 | 177.0° | 180.0° |
O7 | C7 | H8 | H9 | 120.4° | 120.0° |
O7 | C7 | C6 | H10 | 62.8° | 60.0° |
O7 | C7 | C6 | H11 | 56.7° | 60.0° |
C7 | C6 | C5 | H10 | 120.2° | 120.0° |
C7 | C6 | C5 | H11 | 120.3° | 120.0° |
C7 | C6 | C5 | C4 | 121.4° | 95.0° |
C6 | C7 | H8 | H9 | 120.4° | 120.0° |
C7 | C6 | H10 | H11 | 119.2° | 120.0° |
C5' | C6' | N1' | H1 | 180.0° | 180.0° |
C6' | C5' | C7' | N3 | 116.7° | 98.5° |
C6' | C5' | C7' | H14 | 122.9° | 21.6° |
C6' | C5' | C7' | H15 | 3.7° | 141.5° |
C7' | C5' | C6' | N1' | 178.3° | 180.0° |
C5' | C7' | N3 | H14 | 120.4° | 120.0° |
C5' | C7' | N3 | H15 | 120.4° | 120.0° |
C5' | C7' | N3 | C4 | 85.4° | 92.6° |
C7' | C5' | C6' | H1 | 1.7° | 0.0° |
C5' | C7' | H14 | H15 | 118.7° | 119.9° |
C7' | N3 | C4 | C5 | 177.3° | 180.0° |
C7' | N3 | C4 | CM4 | 0.4° | 0.1° |
C7' | N3 | C2 | H12 | 73.9° | 61.9° |
C7' | N3 | C2 | H13 | 47.8° | 61.7° |
N3 | C7' | H14 | H15 | 118.8° | 120.1° |
N3 | C4 | C5 | C6 | 179.4° | 180.0° |
N3 | C4 | C5 | CM4 | 177.7° | 180.0° |
N3 | C4 | CM4 | H2 | 180.0° | 174.8° |
N3 | C4 | CM4 | H3 | 60.0° | 65.2° |
N3 | C4 | CM4 | H4 | 60.0° | 54.8° |
C4 | N3 | C2 | H12 | 84.3° | 118.1° |
C4 | N3 | C2 | H13 | 154.0° | 118.4° |
C4 | N3 | C7' | H14 | 154.2° | 27.4° |
C4 | N3 | C7' | H15 | 35.1° | 147.4° |
C6 | C5 | C4 | CM4 | 2.9° | 0.0° |
C5 | C6 | C7 | H8 | 57.1° | 60.0° |
C5 | C6 | C7 | H9 | 63.2° | 60.0° |
C5 | C6 | H10 | H11 | 119.2° | 120.0° |
C5 | C4 | CM4 | H2 | 2.5° | 5.2° |
C5 | C4 | CM4 | H3 | 122.5° | 114.8° |
C5 | C4 | CM4 | H4 | 117.5° | 125.3° |
C4 | C5 | C6 | H10 | 1.2° | 25.0° |
C4 | C5 | C6 | H11 | 118.3° | 145.0° |
C4 | CM4 | H2 | H3 | 120.0° | 120.0° |
C4 | CM4 | H2 | H4 | 120.0° | 120.0° |
C4 | CM4 | H3 | H4 | 120.0° | 120.0° |
H2 | CM4 | H3 | H4 | 120.0° | 120.0° |
H5 | CM2 | H6 | H7 | 120.0° | 120.0° |
H8 | C7 | C6 | H10 | 177.3° | 60.0° |
H8 | C7 | C6 | H11 | 63.1° | 180.0° |
H9 | C7 | C6 | H10 | 57.0° | 180.0° |
H9 | C7 | C6 | H11 | 176.6° | 60.0° |