D3T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PA | O1A | doub | 1.50Å | 1.49Å | |
PA | O2A | sing | 1.62Å | 1.49Å | |
PA | O5' | sing | 1.62Å | 1.60Å | |
PA | O3A | sing | 1.61Å | 1.59Å | |
O2A | HOA2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.42Å | |
C5' | C4' | sing | 1.52Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.43Å | 1.42Å | |
C1' | N1 | sing | 1.43Å | 1.48Å | |
C1' | C2' | sing | 1.52Å | 1.53Å | |
C1' | H1' | sing | 1.10Å | 1.11Å | |
N1 | C6 | sing | 1.39Å | 1.38Å | |
N1 | C2 | sing | 1.41Å | 1.38Å | |
C6 | C5 | doub | 1.34Å | 1.34Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.23Å | 1.22Å | |
C2 | N3 | sing | 1.40Å | 1.37Å | |
N3 | C4 | sing | 1.39Å | 1.38Å | |
N3 | HN3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.23Å | |
C4 | C5 | sing | 1.49Å | 1.45Å | |
C5 | C5M | sing | 1.50Å | 1.50Å | |
C5M | H5M1 | sing | 1.09Å | 1.11Å | |
C5M | H5M2 | sing | 1.09Å | 1.11Å | |
C5M | H5M3 | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.51Å | 1.53Å | |
C2' | H2'1 | sing | 1.10Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C3' | H3'1 | sing | 1.10Å | 1.11Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
O3A | PB | sing | 1.62Å | 1.59Å | |
PB | O1B | doub | 1.50Å | 1.48Å | |
PB | O2B | sing | 1.62Å | 1.48Å | |
PB | O3B | sing | 1.61Å | 1.60Å | |
O2B | HOB2 | sing | 0.98Å | 0.95Å | |
O3B | PG | sing | 1.60Å | 1.60Å | |
PG | O1G | doub | 1.45Å | 1.49Å | |
PG | O2G | sing | 1.60Å | 1.48Å | |
PG | O3G | sing | 1.60Å | 1.52Å | |
O3G | HOG3 | sing | 0.98Å | 0.95Å | |
HO1 | O2G | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | PA | O2A | 120.0° | 114.2° |
O1A | PA | O5' | 106.5° | 114.1° |
O1A | PA | O3A | 109.4° | 115.1° |
O2A | PA | O5' | 110.9° | 104.0° |
O2A | PA | O3A | 109.5° | 103.5° |
PA | O2A | HOA2 | 120.0° | 118.9° |
O5' | PA | O3A | 98.4° | 104.7° |
PA | O5' | C5' | 121.4° | 120.0° |
PA | O3A | PB | 126.9° | 131.9° |
O5' | C5' | C4' | 110.2° | 109.0° |
O5' | C5' | H5'1 | 112.0° | 108.8° |
O5' | C5' | H5'2 | 111.9° | 108.8° |
C4' | C5' | H5'1 | 111.9° | 110.5° |
C4' | C5' | H5'2 | 111.9° | 110.6° |
C5' | C4' | O4' | 109.8° | 108.4° |
C5' | C4' | C3' | 115.5° | 113.1° |
C5' | C4' | H4' | 103.4° | 108.9° |
H5'1 | C5' | H5'2 | 98.5° | 109.1° |
O4' | C4' | C3' | 103.9° | 106.5° |
O4' | C4' | H4' | 115.2° | 108.7° |
C4' | O4' | C1' | 109.6° | 108.9° |
C3' | C4' | H4' | 109.4° | 111.2° |
C4' | C3' | C2' | 102.1° | 102.7° |
C4' | C3' | H3'1 | 115.0° | 109.5° |
C4' | C3' | H3'2 | 115.0° | 113.7° |
O4' | C1' | N1 | 109.2° | 109.4° |
O4' | C1' | C2' | 107.4° | 106.9° |
O4' | C1' | H1' | 112.2° | 108.1° |
N1 | C1' | C2' | 112.9° | 112.9° |
N1 | C1' | H1' | 106.7° | 108.0° |
C1' | N1 | C6 | 121.5° | 118.4° |
C1' | N1 | C2 | 117.5° | 121.2° |
C2' | C1' | H1' | 108.5° | 111.4° |
C1' | C2' | C3' | 101.7° | 101.9° |
C1' | C2' | H2'1 | 115.2° | 111.0° |
C1' | C2' | H2'2 | 115.2° | 112.8° |
C6 | N1 | C2 | 121.0° | 120.4° |
N1 | C6 | C5 | 123.6° | 124.4° |
N1 | C6 | H6 | 119.7° | 114.8° |
N1 | C2 | O2 | 123.3° | 123.9° |
N1 | C2 | N3 | 114.8° | 115.0° |
C5 | C6 | H6 | 116.7° | 120.8° |
C6 | C5 | C4 | 118.0° | 118.4° |
C6 | C5 | C5M | 123.0° | 123.6° |
O2 | C2 | N3 | 122.0° | 121.1° |
C2 | N3 | C4 | 127.5° | 127.0° |
C2 | N3 | HN3 | 115.8° | 116.5° |
C4 | N3 | HN3 | 116.6° | 116.5° |
N3 | C4 | O4 | 119.7° | 123.6° |
N3 | C4 | C5 | 115.1° | 114.8° |
O4 | C4 | C5 | 125.1° | 121.7° |
C4 | C5 | C5M | 119.0° | 118.0° |
C5 | C5M | H5M1 | 107.4° | 109.7° |
C5 | C5M | H5M2 | 123.0° | 109.7° |
C5 | C5M | H5M3 | 107.4° | 109.7° |
H5M1 | C5M | H5M2 | 107.4° | 109.3° |
H5M1 | C5M | H5M3 | 102.4° | 109.4° |
H5M2 | C5M | H5M3 | 107.4° | 108.9° |
C3' | C2' | H2'1 | 115.2° | 109.7° |
C3' | C2' | H2'2 | 115.2° | 113.6° |
C2' | C3' | H3'1 | 115.0° | 109.2° |
C2' | C3' | H3'2 | 115.0° | 113.6° |
H2'1 | C2' | H2'2 | 95.3° | 107.7° |
H3'1 | C3' | H3'2 | 95.5° | 108.0° |
O3A | PB | O1B | 107.8° | 115.0° |
O3A | PB | O2B | 109.3° | 104.0° |
O3A | PB | O3B | 99.2° | 101.8° |
O1B | PB | O2B | 119.7° | 114.9° |
O1B | PB | O3B | 108.4° | 115.6° |
O2B | PB | O3B | 110.4° | 103.8° |
PB | O2B | HOB2 | 109.3° | 119.0° |
PB | O3B | PG | 122.6° | 131.3° |
O3B | PG | O1G | 108.9° | 108.3° |
O3B | PG | O2G | 108.6° | 111.6° |
O3B | PG | O3G | 98.4° | 112.0° |
O1G | PG | O2G | 119.4° | 107.5° |
O1G | PG | O3G | 106.5° | 107.7° |
O2G | PG | O3G | 112.9° | 109.5° |
PG | O2G | HO1 | 109.5° | 119.4° |
PG | O3G | HOG3 | 98.4° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | PA | O2A | O5' | 124.8° | 125.0° |
O1A | PA | O2A | O3A | 127.6° | 125.9° |
O1A | PA | O5' | O3A | 113.2° | 126.6° |
O1A | PA | O2A | HOA2 | 180.0° | 45.8° |
O1A | PA | O5' | C5' | 166.4° | 180.0° |
O1A | PA | O3A | PB | 123.6° | 60.0° |
O2A | PA | O5' | O3A | 114.7° | 108.3° |
O2A | PA | O5' | C5' | 34.2° | 54.9° |
O2A | PA | O3A | PB | 9.8° | 65.4° |
O5' | PA | O2A | HOA2 | 55.1° | 170.8° |
PA | O5' | C5' | C4' | 135.2° | 180.0° |
PA | O5' | C5' | H5'1 | 99.5° | 59.4° |
PA | O5' | C5' | H5'2 | 9.9° | 59.4° |
O5' | PA | O3A | PB | 125.6° | 174.0° |
O3A | PA | O2A | HOA2 | 52.4° | 80.0° |
O3A | PA | O5' | C5' | 80.5° | 53.4° |
PA | O3A | PB | O1B | 166.7° | 60.1° |
PA | O3A | PB | O2B | 35.1° | 66.4° |
PA | O3A | PB | O3B | 80.5° | 174.1° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.5° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.6° |
O5' | C5' | H5'1 | H5'2 | 117.9° | 118.5° |
O5' | C5' | C4' | O4' | 57.9° | 61.7° |
O5' | C5' | C4' | C3' | 59.1° | 179.6° |
O5' | C5' | C4' | H4' | 178.7° | 56.3° |
C4' | C5' | H5'1 | H5'2 | 117.8° | 121.8° |
C5' | C4' | O4' | C3' | 124.1° | 121.9° |
C5' | C4' | O4' | H4' | 116.3° | 118.2° |
C5' | C4' | C3' | H4' | 116.2° | 122.9° |
C5' | C4' | O4' | C1' | 147.5° | 111.7° |
C5' | C4' | C3' | C2' | 157.6° | 89.8° |
C5' | C4' | C3' | H3'1 | 77.1° | 154.3° |
C5' | C4' | C3' | H3'2 | 32.4° | 33.3° |
H5'1 | C5' | C4' | O4' | 67.4° | 57.8° |
H5'1 | C5' | C4' | C3' | 175.6° | 60.0° |
H5'1 | C5' | C4' | H4' | 56.0° | 175.8° |
H5'2 | C5' | C4' | O4' | 176.8° | 178.7° |
H5'2 | C5' | C4' | C3' | 66.1° | 60.9° |
H5'2 | C5' | C4' | H4' | 53.4° | 63.3° |
O4' | C4' | C3' | H4' | 123.5° | 118.2° |
C4' | O4' | C1' | N1 | 122.5° | 135.5° |
C4' | O4' | C1' | C2' | 0.3° | 12.9° |
C4' | O4' | C1' | H1' | 119.5° | 107.2° |
O4' | C4' | C3' | C2' | 37.3° | 29.1° |
O4' | C4' | C3' | H3'1 | 162.5° | 86.8° |
O4' | C4' | C3' | H3'2 | 88.0° | 152.3° |
C3' | C4' | O4' | C1' | 23.4° | 10.3° |
C4' | C3' | C2' | C1' | 36.5° | 35.4° |
C4' | C3' | C2' | H3'1 | 125.3° | 116.1° |
C4' | C3' | C2' | H3'2 | 125.3° | 123.2° |
C4' | C3' | C2' | H2'1 | 161.8° | 82.3° |
C4' | C3' | C2' | H2'2 | 88.7° | 157.1° |
C4' | C3' | H3'1 | H3'2 | 120.9° | 124.3° |
H4' | C4' | O4' | C1' | 96.3° | 130.1° |
H4' | C4' | C3' | C2' | 86.2° | 147.3° |
H4' | C4' | C3' | H3'1 | 39.0° | 31.4° |
H4' | C4' | C3' | H3'2 | 148.6° | 89.5° |
O4' | C1' | N1 | C2' | 119.5° | 119.0° |
O4' | C1' | N1 | H1' | 121.5° | 117.4° |
O4' | C1' | C2' | H1' | 121.5° | 117.9° |
O4' | C1' | N1 | C6 | 26.5° | 32.7° |
O4' | C1' | N1 | C2 | 153.9° | 147.4° |
O4' | C1' | C2' | C3' | 23.5° | 30.6° |
O4' | C1' | C2' | H2'1 | 148.8° | 86.2° |
O4' | C1' | C2' | H2'2 | 101.7° | 152.7° |
N1 | C1' | C2' | H1' | 118.0° | 121.7° |
C1' | N1 | C6 | C2 | 179.6° | 179.9° |
C1' | N1 | C6 | C5 | 179.4° | 180.0° |
C1' | N1 | C6 | H6 | 0.6° | 0.0° |
C1' | N1 | C2 | O2 | 0.1° | 0.1° |
C1' | N1 | C2 | N3 | 179.8° | 180.0° |
N1 | C1' | C2' | C3' | 97.0° | 151.0° |
N1 | C1' | C2' | H2'1 | 28.3° | 34.2° |
N1 | C1' | C2' | H2'2 | 137.8° | 86.8° |
C2' | C1' | N1 | C6 | 93.0° | 86.3° |
C2' | C1' | N1 | C2 | 86.6° | 93.6° |
C1' | C2' | C3' | H2'1 | 125.2° | 117.8° |
C1' | C2' | C3' | H2'2 | 125.3° | 121.7° |
C1' | C2' | H2'1 | H2'2 | 121.0° | 124.0° |
C1' | C2' | C3' | H3'1 | 161.8° | 80.7° |
C1' | C2' | C3' | H3'2 | 88.7° | 158.7° |
H1' | C1' | N1 | C6 | 147.9° | 150.1° |
H1' | C1' | N1 | C2 | 32.5° | 30.0° |
H1' | C1' | C2' | C3' | 145.0° | 87.3° |
H1' | C1' | C2' | H2'1 | 89.7° | 155.9° |
H1' | C1' | C2' | H2'2 | 19.8° | 34.8° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 179.7° | 180.0° |
C6 | N1 | C2 | N3 | 0.2° | 0.0° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
N1 | C6 | C5 | C5M | 179.1° | 180.0° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
C2 | N1 | C6 | H6 | 179.8° | 179.9° |
N1 | C2 | O2 | N3 | 179.9° | 180.0° |
N1 | C2 | N3 | C4 | 0.2° | 0.0° |
N1 | C2 | N3 | HN3 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.0° |
C6 | C5 | C4 | O4 | 179.3° | 180.0° |
C6 | C5 | C4 | C5M | 179.7° | 180.0° |
C6 | C5 | C5M | H5M1 | 54.7° | 120.4° |
C6 | C5 | C5M | H5M2 | 180.0° | 0.3° |
C6 | C5 | C5M | H5M3 | 54.8° | 119.4° |
H6 | C6 | C5 | C4 | 179.4° | 180.0° |
H6 | C6 | C5 | C5M | 0.9° | 0.0° |
O2 | C2 | N3 | C4 | 179.7° | 179.9° |
O2 | C2 | N3 | HN3 | 0.4° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 179.7° | 180.0° |
C2 | N3 | C4 | C5 | 0.2° | 0.1° |
N3 | C4 | O4 | C5 | 179.9° | 180.0° |
N3 | C4 | C5 | C5M | 179.2° | 179.9° |
HN3 | N3 | C4 | O4 | 0.3° | 0.0° |
HN3 | N3 | C4 | C5 | 179.8° | 180.0° |
O4 | C4 | C5 | C5M | 1.0° | 0.1° |
C4 | C5 | C5M | H5M1 | 125.0° | 59.6° |
C4 | C5 | C5M | H5M2 | 0.3° | 179.7° |
C4 | C5 | C5M | H5M3 | 125.6° | 60.7° |
C5 | C5M | H5M1 | H5M2 | 134.1° | 120.4° |
C5 | C5M | H5M1 | H5M3 | 112.9° | 120.4° |
C5 | C5M | H5M2 | H5M3 | 125.3° | 120.1° |
H5M1 | C5M | H5M2 | H5M3 | 109.5° | 119.5° |
C3' | C2' | H2'1 | H2'2 | 121.1° | 124.1° |
C2' | C3' | H3'1 | H3'2 | 120.8° | 124.0° |
H2'1 | C2' | C3' | H3'1 | 73.0° | 161.5° |
H2'1 | C2' | C3' | H3'2 | 36.5° | 40.9° |
H2'2 | C2' | C3' | H3'1 | 36.5° | 41.0° |
H2'2 | C2' | C3' | H3'2 | 146.0° | 79.6° |
O3A | PB | O1B | O2B | 125.7° | 120.7° |
O3A | PB | O1B | O3B | 106.6° | 118.3° |
O3A | PB | O2B | O3B | 108.2° | 106.2° |
O3A | PB | O2B | HOB2 | 180.0° | 79.0° |
O3A | PB | O3B | PG | 117.2° | 65.4° |
O1B | PB | O2B | O3B | 126.8° | 127.2° |
O1B | PB | O2B | HOB2 | 55.0° | 47.6° |
O1B | PB | O3B | PG | 130.4° | 60.0° |
O2B | PB | O3B | PG | 2.5° | 173.2° |
O3B | PB | O2B | HOB2 | 71.9° | 174.8° |
PB | O3B | PG | O1G | 46.5° | 60.0° |
PB | O3B | PG | O2G | 85.1° | 58.2° |
PB | O3B | PG | O3G | 157.2° | 178.6° |
O3B | PG | O1G | O2G | 125.5° | 120.8° |
O3B | PG | O1G | O3G | 105.3° | 121.3° |
O3B | PG | O2G | O3G | 108.1° | 124.6° |
O3B | PG | O3G | HOG3 | 180.0° | 61.8° |
O3B | PG | O2G | HO1 | 32.0° | 62.2° |
O1G | PG | O2G | O3G | 126.3° | 116.7° |
O1G | PG | O3G | HOG3 | 67.3° | 179.2° |
O1G | PG | O2G | HO1 | 93.7° | 179.1° |
O2G | PG | O3G | HOG3 | 65.6° | 62.6° |
O3G | PG | O2G | HO1 | 140.1° | 62.4° |