VT8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.19Å | |
C2 | N3 | sing | 1.35Å | 1.34Å | |
C2 | N1 | sing | 1.34Å | 1.34Å | |
N3 | C4 | sing | 1.35Å | 1.35Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | C3' | sing | 1.55Å | 1.32Å | |
C1' | N1 | sing | 1.46Å | 1.35Å | |
C1' | O4' | sing | 1.44Å | 1.56Å | |
N1 | C6 | sing | 1.37Å | 1.35Å | |
O3' | C3' | sing | 1.43Å | 1.47Å | |
C3' | C4' | sing | 1.55Å | 1.62Å | |
C4 | O4 | doub | 1.22Å | 1.21Å | |
C4 | C5 | sing | 1.42Å | 1.42Å | |
O4' | C4' | sing | 1.44Å | 1.26Å | |
C4' | C5' | sing | 1.53Å | 1.57Å | |
C6 | C5 | doub | 1.35Å | 1.41Å | |
C5 | C7 | sing | 1.51Å | 1.53Å | |
O2B | PB | doub | 1.48Å | 1.54Å | |
C5' | O5' | sing | 1.43Å | 1.44Å | |
O5' | PA | sing | 1.61Å | 1.62Å | |
O3A | PB | sing | 1.61Å | 1.57Å | |
O3A | PA | sing | 1.61Å | 1.59Å | |
PB | O1B | sing | 1.61Å | 1.50Å | |
PB | C3B | sing | 1.82Å | 1.85Å | |
CL1 | C3B | sing | 1.80Å | 1.75Å | |
PA | O2A | doub | 1.48Å | 1.53Å | |
PA | O1A | sing | 1.61Å | 1.53Å | |
C3B | CL2 | sing | 1.80Å | 1.72Å | |
C3B | PG | sing | 1.82Å | 1.80Å | |
O3G | PG | doub | 1.48Å | 1.52Å | |
PG | O1G | sing | 1.61Å | 1.48Å | |
PG | O2G | sing | 1.61Å | 1.51Å | |
N3 | H1 | sing | 0.97Å | 1.00Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C1' | H6 | sing | 1.09Å | 1.10Å | |
O1A | H7 | sing | 0.97Å | 0.95Å | |
O1G | H8 | sing | 0.97Å | 0.95Å | |
C2' | H9 | sing | 1.09Å | 1.10Å | |
C2' | H10 | sing | 1.09Å | 1.10Å | |
O1B | H11 | sing | 0.97Å | 0.95Å | |
O2G | H12 | sing | 0.97Å | 0.95Å | |
C3' | H13 | sing | 1.09Å | 1.10Å | |
O3' | H14 | sing | 0.97Å | 0.95Å | |
C4' | H15 | sing | 1.09Å | 1.10Å | |
C5' | H16 | sing | 1.09Å | 1.10Å | |
C5' | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | N3 | 118.3° | 119.5° |
O2 | C2 | N1 | 119.3° | 119.6° |
N3 | C2 | N1 | 122.4° | 120.9° |
C2 | N3 | C4 | 120.9° | 120.3° |
C2 | N3 | H1 | 119.5° | 119.8° |
C2 | N1 | C1' | 120.8° | 119.7° |
C2 | N1 | C6 | 119.1° | 120.6° |
N3 | C4 | O4 | 120.4° | 120.3° |
N3 | C4 | C5 | 119.6° | 119.4° |
C4 | N3 | H1 | 119.6° | 119.9° |
C1' | C2' | C3' | 104.4° | 104.1° |
C2' | C1' | N1 | 111.5° | 110.4° |
C2' | C1' | O4' | 102.4° | 104.8° |
C2' | C1' | H6 | 109.1° | 110.4° |
C1' | C2' | H9 | 110.7° | 110.5° |
C1' | C2' | H10 | 110.7° | 110.5° |
C2' | C3' | O3' | 116.8° | 110.5° |
C2' | C3' | C4' | 102.7° | 104.1° |
C3' | C2' | H9 | 110.7° | 110.5° |
C3' | C2' | H10 | 110.7° | 110.5° |
C2' | C3' | H13 | 110.3° | 110.5° |
N1 | C1' | O4' | 112.9° | 110.4° |
C1' | N1 | C6 | 120.1° | 119.7° |
N1 | C1' | H6 | 111.7° | 110.4° |
C1' | O4' | C4' | 108.3° | 105.3° |
O4' | C1' | H6 | 108.7° | 110.4° |
N1 | C6 | C5 | 121.6° | 119.7° |
N1 | C6 | H5 | 119.2° | 120.2° |
O3' | C3' | C4' | 111.9° | 110.5° |
O3' | C3' | H13 | 108.1° | 110.6° |
C3' | O3' | H14 | 109.5° | 114.0° |
C3' | C4' | O4' | 104.4° | 104.8° |
C3' | C4' | C5' | 110.7° | 110.4° |
C4' | C3' | H13 | 106.5° | 110.5° |
C3' | C4' | H15 | 108.1° | 110.4° |
O4 | C4 | C5 | 120.0° | 120.4° |
C4 | C5 | C6 | 116.4° | 119.1° |
C4 | C5 | C7 | 123.5° | 120.4° |
O4' | C4' | C5' | 111.3° | 110.4° |
O4' | C4' | H15 | 113.5° | 110.5° |
C4' | C5' | O5' | 107.9° | 109.5° |
C5' | C4' | H15 | 108.7° | 110.3° |
C4' | C5' | H16 | 109.8° | 109.5° |
C4' | C5' | H17 | 109.8° | 109.5° |
C6 | C5 | C7 | 120.1° | 120.5° |
C5 | C6 | H5 | 119.2° | 120.1° |
C5 | C7 | H2 | 109.5° | 109.5° |
C5 | C7 | H3 | 109.5° | 109.5° |
C5 | C7 | H4 | 109.5° | 109.5° |
O2B | PB | O3A | 105.3° | 109.5° |
O2B | PB | O1B | 108.4° | 109.5° |
O2B | PB | C3B | 109.5° | 109.4° |
C5' | O5' | PA | 118.7° | 123.0° |
O5' | C5' | H16 | 109.9° | 109.5° |
O5' | C5' | H17 | 109.9° | 109.5° |
O5' | PA | O3A | 105.4° | 109.5° |
O5' | PA | O2A | 108.8° | 109.4° |
O5' | PA | O1A | 110.5° | 109.5° |
PB | O3A | PA | 134.2° | 134.0° |
O3A | PB | O1B | 112.7° | 109.5° |
O3A | PB | C3B | 107.2° | 109.5° |
O3A | PA | O2A | 107.0° | 109.5° |
O3A | PA | O1A | 112.6° | 109.5° |
O1B | PB | C3B | 113.4° | 109.5° |
PB | O1B | H11 | 109.5° | 114.0° |
PB | C3B | CL1 | 113.6° | 109.5° |
PB | C3B | CL2 | 111.8° | 109.5° |
PB | C3B | PG | 107.4° | 109.5° |
CL1 | C3B | CL2 | 105.9° | 109.5° |
CL1 | C3B | PG | 110.0° | 109.5° |
O2A | PA | O1A | 112.2° | 109.5° |
PA | O1A | H7 | 109.5° | 114.0° |
CL2 | C3B | PG | 108.0° | 109.5° |
C3B | PG | O3G | 106.7° | 109.5° |
C3B | PG | O1G | 106.4° | 109.5° |
C3B | PG | O2G | 111.0° | 109.5° |
O3G | PG | O1G | 112.6° | 109.5° |
O3G | PG | O2G | 112.1° | 109.5° |
O1G | PG | O2G | 107.9° | 109.5° |
PG | O1G | H8 | 109.5° | 114.0° |
PG | O2G | H12 | 109.5° | 114.0° |
H2 | C7 | H3 | 109.5° | 109.5° |
H2 | C7 | H4 | 109.5° | 109.5° |
H3 | C7 | H4 | 109.5° | 109.5° |
H9 | C2' | H10 | 109.5° | 110.5° |
H16 | C5' | H17 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | N3 | N1 | 178.3° | 180.0° |
O2 | C2 | N3 | C4 | 179.6° | 180.0° |
O2 | C2 | N1 | C1' | 0.9° | 0.3° |
O2 | C2 | N1 | C6 | 179.6° | 179.9° |
O2 | C2 | N3 | H1 | 0.5° | 0.0° |
C2 | N3 | C4 | H1 | 180.0° | 180.0° |
N3 | C2 | N1 | C1' | 177.4° | 179.8° |
N3 | C2 | N1 | C6 | 1.3° | 0.0° |
C2 | N3 | C4 | O4 | 179.2° | 179.9° |
C2 | N3 | C4 | C5 | 1.0° | 0.0° |
N1 | C2 | N3 | C4 | 1.2° | 0.0° |
C2 | N1 | C1' | C2' | 96.8° | 61.6° |
C2 | N1 | C1' | C6 | 178.7° | 179.8° |
C2 | N1 | C1' | O4' | 148.5° | 53.8° |
C2 | N1 | C6 | C5 | 1.1° | 0.0° |
N1 | C2 | N3 | H1 | 178.8° | 180.0° |
C2 | N1 | C6 | H5 | 178.9° | 179.9° |
C2 | N1 | C1' | H6 | 25.6° | 176.1° |
N3 | C4 | O4 | C5 | 179.7° | 179.9° |
N3 | C4 | C5 | C6 | 0.9° | 0.0° |
N3 | C4 | C5 | C7 | 179.6° | 180.0° |
C1' | C2' | C3' | H9 | 119.2° | 118.6° |
C1' | C2' | C3' | H10 | 119.2° | 118.7° |
C2' | C1' | N1 | O4' | 114.7° | 115.4° |
C2' | C1' | N1 | H6 | 122.4° | 122.3° |
C2' | C1' | O4' | H6 | 115.4° | 118.9° |
C2' | C1' | N1 | C6 | 81.8° | 118.2° |
C1' | C2' | C3' | O3' | 161.2° | 118.6° |
C1' | C2' | C3' | C4' | 38.4° | 0.0° |
C2' | C1' | O4' | C4' | 3.6° | 40.5° |
C1' | C2' | H9 | H10 | 122.3° | 122.7° |
C1' | C2' | C3' | H13 | 74.8° | 118.6° |
C3' | C2' | C1' | N1 | 96.1° | 142.8° |
C3' | C2' | C1' | O4' | 24.9° | 24.0° |
C2' | C3' | O3' | C4' | 118.0° | 114.6° |
C2' | C3' | O3' | H13 | 125.1° | 122.7° |
C2' | C3' | C4' | H13 | 115.9° | 118.6° |
C2' | C3' | C4' | O4' | 42.9° | 24.0° |
C2' | C3' | C4' | C5' | 162.8° | 142.8° |
C3' | C2' | C1' | H6 | 140.0° | 94.9° |
C3' | C2' | H9 | H10 | 122.3° | 122.7° |
C2' | C3' | O3' | H14 | 141.0° | 61.5° |
C2' | C3' | C4' | H15 | 78.3° | 95.0° |
N1 | C1' | O4' | H6 | 124.6° | 122.3° |
N1 | C1' | O4' | C4' | 123.6° | 159.3° |
C1' | N1 | C6 | C5 | 177.6° | 179.7° |
C1' | N1 | C6 | H5 | 2.4° | 0.2° |
N1 | C1' | C2' | H9 | 144.7° | 98.6° |
N1 | C1' | C2' | H10 | 23.1° | 24.1° |
O4' | C1' | N1 | C6 | 32.8° | 126.4° |
C1' | O4' | C4' | C3' | 25.2° | 40.5° |
C1' | O4' | C4' | C5' | 144.7° | 159.3° |
O4' | C1' | C2' | H9 | 94.3° | 142.6° |
O4' | C1' | C2' | H10 | 144.1° | 94.7° |
C1' | O4' | C4' | H15 | 92.3° | 78.4° |
N1 | C6 | C5 | C4 | 0.9° | 0.0° |
N1 | C6 | C5 | H5 | 180.0° | 179.9° |
N1 | C6 | C5 | C7 | 179.5° | 180.0° |
C6 | N1 | C1' | H6 | 155.8° | 4.1° |
O3' | C3' | C4' | H13 | 118.0° | 122.8° |
O3' | C3' | C4' | O4' | 169.0° | 142.6° |
O3' | C3' | C4' | C5' | 71.1° | 98.6° |
O3' | C3' | C2' | H9 | 42.0° | 0.0° |
O3' | C3' | C2' | H10 | 79.6° | 122.7° |
O3' | C3' | C4' | H15 | 47.8° | 23.6° |
C3' | C4' | O4' | C5' | 119.5° | 118.8° |
C3' | C4' | O4' | H15 | 117.5° | 118.9° |
C3' | C4' | C5' | H15 | 118.6° | 122.2° |
C3' | C4' | C5' | O5' | 62.5° | 175.0° |
C4' | C3' | C2' | H9 | 80.8° | 118.6° |
C4' | C3' | C2' | H10 | 157.6° | 118.7° |
C4' | C3' | O3' | H14 | 101.0° | 176.1° |
C3' | C4' | C5' | H16 | 177.8° | 55.0° |
C3' | C4' | C5' | H17 | 57.3° | 65.0° |
O4 | C4 | C5 | C6 | 179.4° | 179.9° |
O4 | C4 | C5 | C7 | 0.2° | 0.1° |
O4 | C4 | N3 | H1 | 0.8° | 0.1° |
C4 | C5 | C6 | C7 | 179.6° | 180.0° |
C5 | C4 | N3 | H1 | 179.0° | 180.0° |
C4 | C5 | C7 | H2 | 180.0° | 0.0° |
C4 | C5 | C7 | H3 | 60.0° | 120.0° |
C4 | C5 | C7 | H4 | 60.0° | 120.0° |
C4 | C5 | C6 | H5 | 179.1° | 179.9° |
O4' | C4' | C5' | H15 | 125.7° | 122.4° |
O4' | C4' | C5' | O5' | 53.2° | 69.6° |
C4' | O4' | C1' | H6 | 111.8° | 78.4° |
O4' | C4' | C3' | H13 | 73.0° | 94.7° |
O4' | C4' | C5' | H16 | 66.5° | 170.4° |
O4' | C4' | C5' | H17 | 173.0° | 50.4° |
C4' | C5' | O5' | H16 | 119.7° | 120.0° |
C4' | C5' | O5' | H17 | 119.7° | 120.0° |
C4' | C5' | O5' | PA | 136.5° | 180.0° |
C5' | C4' | C3' | H13 | 46.9° | 24.2° |
C4' | C5' | H16 | H17 | 120.7° | 120.0° |
C6 | C5 | C7 | H2 | 0.5° | 180.0° |
C6 | C5 | C7 | H3 | 120.5° | 60.0° |
C6 | C5 | C7 | H4 | 119.5° | 60.0° |
C5 | C7 | H2 | H3 | 120.0° | 120.0° |
C5 | C7 | H2 | H4 | 120.0° | 120.0° |
C5 | C7 | H3 | H4 | 120.0° | 120.0° |
C7 | C5 | C6 | H5 | 0.5° | 0.1° |
O2B | PB | O3A | O1B | 118.0° | 120.0° |
O2B | PB | O3A | C3B | 116.5° | 120.0° |
O2B | PB | O3A | PA | 144.7° | 60.0° |
O2B | PB | O1B | C3B | 121.8° | 120.0° |
O2B | PB | C3B | CL1 | 22.9° | 60.0° |
O2B | PB | C3B | CL2 | 96.8° | 180.0° |
O2B | PB | C3B | PG | 144.8° | 60.0° |
O2B | PB | O1B | H11 | 0.0° | 179.9° |
C5' | O5' | PA | O3A | 65.6° | 175.0° |
C5' | O5' | PA | O2A | 180.0° | 55.0° |
C5' | O5' | PA | O1A | 56.4° | 65.0° |
O5' | C5' | C4' | H15 | 178.9° | 52.8° |
O5' | C5' | H16 | H17 | 120.8° | 120.0° |
O5' | PA | O3A | PB | 114.9° | 165.0° |
O5' | PA | O3A | O2A | 115.7° | 120.0° |
O5' | PA | O3A | O1A | 120.6° | 120.0° |
O5' | PA | O2A | O1A | 122.6° | 120.0° |
O5' | PA | O1A | H7 | 121.6° | 60.0° |
PA | O5' | C5' | H16 | 103.7° | 60.0° |
PA | O5' | C5' | H17 | 16.8° | 59.9° |
O3A | PB | O1B | C3B | 122.1° | 120.0° |
O3A | PB | C3B | CL1 | 136.7° | 60.0° |
PB | O3A | PA | O2A | 129.3° | 45.0° |
PB | O3A | PA | O1A | 5.7° | 75.0° |
O3A | PB | C3B | CL2 | 17.0° | 60.0° |
O3A | PB | C3B | PG | 101.4° | 180.0° |
O3A | PB | O1B | H11 | 116.2° | 60.0° |
PA | O3A | PB | O1B | 26.7° | 60.0° |
PA | O3A | PB | C3B | 98.8° | 180.0° |
O3A | PA | O2A | O1A | 123.9° | 120.0° |
O3A | PA | O1A | H7 | 120.7° | 60.0° |
O1B | PB | C3B | CL1 | 98.2° | 180.0° |
O1B | PB | C3B | CL2 | 142.0° | 60.0° |
O1B | PB | C3B | PG | 23.7° | 60.0° |
PB | C3B | CL1 | CL2 | 123.0° | 120.0° |
PB | C3B | CL1 | PG | 120.5° | 120.0° |
PB | C3B | CL2 | PG | 118.0° | 120.0° |
PB | C3B | PG | O3G | 79.0° | 60.0° |
PB | C3B | PG | O1G | 41.4° | 60.0° |
PB | C3B | PG | O2G | 158.5° | 180.0° |
C3B | PB | O1B | H11 | 121.7° | 60.0° |
CL1 | C3B | CL2 | PG | 117.9° | 120.0° |
CL1 | C3B | PG | O3G | 45.1° | 180.0° |
CL1 | C3B | PG | O1G | 165.5° | 60.0° |
CL1 | C3B | PG | O2G | 77.4° | 60.0° |
O2A | PA | O1A | H7 | 0.0° | 180.0° |
CL2 | C3B | PG | O3G | 160.2° | 60.0° |
CL2 | C3B | PG | O1G | 79.4° | 180.0° |
CL2 | C3B | PG | O2G | 37.8° | 60.0° |
C3B | PG | O3G | O1G | 116.4° | 120.0° |
C3B | PG | O3G | O2G | 121.7° | 120.0° |
C3B | PG | O1G | O2G | 119.2° | 120.0° |
C3B | PG | O1G | H8 | 116.6° | 60.0° |
C3B | PG | O2G | H12 | 119.3° | 180.0° |
O3G | PG | O1G | O2G | 124.3° | 120.0° |
O3G | PG | O1G | H8 | 0.0° | 180.0° |
O3G | PG | O2G | H12 | 0.0° | 60.0° |
O1G | PG | O2G | H12 | 124.5° | 60.0° |
O2G | PG | O1G | H8 | 124.3° | 60.0° |
H2 | C7 | H3 | H4 | 120.0° | 120.0° |
H6 | C1' | C2' | H9 | 20.8° | 23.8° |
H6 | C1' | C2' | H10 | 100.8° | 146.5° |
H9 | C2' | C3' | H13 | 166.0° | 122.7° |
H10 | C2' | C3' | H13 | 44.4° | 0.0° |
H13 | C3' | O3' | H14 | 15.9° | 61.2° |
H13 | C3' | C4' | H15 | 165.8° | 146.4° |
H15 | C4' | C5' | H16 | 59.2° | 67.2° |
H15 | C4' | C5' | H17 | 61.3° | 172.8° |