Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PA | O1A | doub | 1.48Å | 1.48Å | |
PA | O2A | sing | 1.61Å | 1.61Å | |
PA | O5' | sing | 1.61Å | 1.61Å | |
PA | O3A | sing | 1.61Å | 1.61Å | |
O2A | HO2A | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.45Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C6 | sing | 1.37Å | 1.40Å | |
N1 | C2 | sing | 1.35Å | 1.40Å | |
C6 | C5 | doub | 1.35Å | 1.39Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.40Å | |
N3 | C4 | sing | 1.35Å | 1.40Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.39Å | |
C5 | C5M | sing | 1.51Å | 1.53Å | |
C5M | H5M1 | sing | 1.09Å | 1.10Å | |
C5M | H5M2 | sing | 1.09Å | 1.10Å | |
C5M | H5M3 | sing | 1.09Å | 1.10Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C3' | H3'1 | sing | 1.09Å | 1.10Å | |
C3' | H3'2 | sing | 1.09Å | 1.10Å | |
O3A | PB | sing | 1.61Å | 1.61Å | |
PB | O1B | doub | 1.48Å | 1.61Å | |
PB | O2B | sing | 1.61Å | 1.48Å | |
PB | O3B | sing | 1.61Å | 1.61Å | |
O2B | HO2B | sing | 0.97Å | 0.95Å | |
O3B | PG | sing | 1.61Å | 1.61Å | |
PG | O1G | sing | 1.61Å | 1.61Å | |
PG | O2G | doub | 1.48Å | 1.61Å | |
PG | O3G | sing | 1.61Å | 1.48Å | |
O1G | HO1G | sing | 0.97Å | 0.95Å | |
O3G | HO3G | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | PA | O2A | 112.3° | 109.5° |
O1A | PA | O5' | 113.5° | 109.5° |
O1A | PA | O3A | 112.9° | 109.5° |
O2A | PA | O5' | 106.2° | 109.5° |
O2A | PA | O3A | 105.5° | 109.4° |
PA | O2A | HO2A | 109.5° | 106.8° |
O5' | PA | O3A | 105.8° | 109.5° |
PA | O5' | C5' | 119.8° | 106.8° |
PA | O3A | PB | 123.0° | 106.8° |
O5' | C5' | C4' | 110.7° | 109.5° |
O5' | C5' | H5'1 | 108.8° | 109.4° |
O5' | C5' | H5'2 | 109.1° | 109.5° |
C4' | C5' | H5'1 | 108.8° | 109.5° |
C4' | C5' | H5'2 | 109.0° | 109.5° |
C5' | C4' | O4' | 112.2° | 110.8° |
C5' | C4' | C3' | 112.4° | 110.7° |
C5' | C4' | H4' | 104.0° | 110.5° |
H5'1 | C5' | H5'2 | 110.4° | 109.4° |
O4' | C4' | C3' | 104.3° | 103.6° |
O4' | C4' | H4' | 112.2° | 110.5° |
C4' | O4' | C1' | 107.6° | 106.9° |
C3' | C4' | H4' | 112.0° | 110.6° |
C4' | C3' | C2' | 96.9° | 102.1° |
C4' | C3' | H3'1 | 116.4° | 110.9° |
C4' | C3' | H3'2 | 113.9° | 110.9° |
O4' | C1' | N1 | 109.6° | 109.9° |
O4' | C1' | C2' | 105.3° | 107.4° |
O4' | C1' | H1' | 111.7° | 109.8° |
N1 | C1' | C2' | 108.4° | 109.9° |
N1 | C1' | H1' | 108.8° | 109.9° |
C1' | N1 | C6 | 121.1° | 119.7° |
C1' | N1 | C2 | 118.9° | 119.7° |
C2' | C1' | H1' | 112.8° | 109.9° |
C1' | C2' | C3' | 99.9° | 104.2° |
C1' | C2' | H2'1 | 114.8° | 110.5° |
C1' | C2' | H2'2 | 112.8° | 110.5° |
C6 | N1 | C2 | 119.9° | 120.7° |
N1 | C6 | C5 | 120.0° | 119.7° |
N1 | C6 | H6 | 120.0° | 120.2° |
N1 | C2 | O2 | 119.9° | 119.5° |
N1 | C2 | N3 | 119.9° | 120.9° |
C5 | C6 | H6 | 120.0° | 120.1° |
C6 | C5 | C4 | 120.2° | 119.1° |
C6 | C5 | C5M | 119.8° | 120.5° |
O2 | C2 | N3 | 120.2° | 119.6° |
C2 | N3 | C4 | 119.7° | 120.3° |
C2 | N3 | HN3 | 120.1° | 119.9° |
C4 | N3 | HN3 | 120.2° | 119.9° |
N3 | C4 | O4 | 119.5° | 120.3° |
N3 | C4 | C5 | 120.2° | 119.4° |
O4 | C4 | C5 | 120.2° | 120.3° |
C4 | C5 | C5M | 120.0° | 120.4° |
C5 | C5M | H5M1 | 109.5° | 109.5° |
C5 | C5M | H5M2 | 109.5° | 109.5° |
C5 | C5M | H5M3 | 109.5° | 109.4° |
H5M1 | C5M | H5M2 | 109.5° | 109.5° |
H5M1 | C5M | H5M3 | 109.4° | 109.5° |
H5M2 | C5M | H5M3 | 109.5° | 109.5° |
C3' | C2' | H2'1 | 114.8° | 110.5° |
C3' | C2' | H2'2 | 112.8° | 110.5° |
C2' | C3' | H3'1 | 116.4° | 110.9° |
C2' | C3' | H3'2 | 113.9° | 110.9° |
H2'1 | C2' | H2'2 | 102.3° | 110.5° |
H3'1 | C3' | H3'2 | 100.3° | 110.8° |
O3A | PB | O1B | 93.4° | 109.5° |
O3A | PB | O2B | 101.3° | 109.5° |
O3A | PB | O3B | 94.4° | 109.4° |
O1B | PB | O2B | 122.4° | 109.5° |
O1B | PB | O3B | 111.5° | 109.5° |
O2B | PB | O3B | 122.2° | 109.5° |
PB | O2B | HO2B | 109.5° | 106.8° |
PB | O3B | PG | 120.9° | 106.8° |
O3B | PG | O1G | 105.6° | 109.4° |
O3B | PG | O2G | 106.8° | 109.5° |
O3B | PG | O3G | 112.1° | 109.5° |
O1G | PG | O2G | 106.3° | 109.5° |
O1G | PG | O3G | 112.9° | 109.5° |
PG | O1G | HO1G | 109.5° | 106.7° |
O2G | PG | O3G | 112.6° | 109.5° |
PG | O3G | HO3G | 109.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | PA | O2A | O5' | 124.7° | 120.0° |
O1A | PA | O2A | O3A | 123.4° | 120.0° |
O1A | PA | O5' | O3A | 124.3° | 120.1° |
O1A | PA | O2A | HO2A | 41.7° | 180.0° |
O1A | PA | O5' | C5' | 54.2° | 55.0° |
O1A | PA | O3A | PB | 4.4° | 40.0° |
O2A | PA | O5' | O3A | 111.8° | 120.0° |
O2A | PA | O5' | C5' | 178.1° | 65.0° |
O2A | PA | O3A | PB | 118.6° | 80.0° |
O5' | PA | O2A | HO2A | 166.4° | 60.0° |
PA | O5' | C5' | C4' | 126.6° | 180.0° |
PA | O5' | C5' | H5'1 | 114.0° | 60.0° |
PA | O5' | C5' | H5'2 | 6.6° | 60.0° |
O5' | PA | O3A | PB | 129.1° | 160.0° |
O3A | PA | O2A | HO2A | 81.7° | 60.0° |
O3A | PA | O5' | C5' | 70.1° | 175.0° |
PA | O3A | PB | O1B | 167.4° | 45.0° |
PA | O3A | PB | O2B | 43.4° | 75.0° |
PA | O3A | PB | O3B | 80.7° | 165.0° |
O5' | C5' | C4' | H5'1 | 119.5° | 120.0° |
O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.7° | 120.0° |
O5' | C5' | C4' | O4' | 57.5° | 70.7° |
O5' | C5' | C4' | C3' | 59.6° | 175.0° |
O5' | C5' | C4' | H4' | 179.0° | 52.1° |
C4' | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
C5' | C4' | O4' | C3' | 121.9° | 118.7° |
C5' | C4' | O4' | H4' | 116.7° | 122.8° |
C5' | C4' | C3' | H4' | 116.7° | 122.8° |
C5' | C4' | O4' | C1' | 147.8° | 158.5° |
C5' | C4' | C3' | C2' | 168.0° | 155.7° |
C5' | C4' | C3' | H3'1 | 67.9° | 86.1° |
C5' | C4' | C3' | H3'2 | 48.0° | 37.4° |
H5'1 | C5' | C4' | O4' | 62.0° | 169.3° |
H5'1 | C5' | C4' | C3' | 179.1° | 55.0° |
H5'1 | C5' | C4' | H4' | 59.5° | 67.9° |
H5'2 | C5' | C4' | O4' | 177.5° | 49.3° |
H5'2 | C5' | C4' | C3' | 60.4° | 65.0° |
H5'2 | C5' | C4' | H4' | 61.0° | 172.2° |
O4' | C4' | C3' | H4' | 121.5° | 118.4° |
C4' | O4' | C1' | N1 | 110.6° | 145.8° |
C4' | O4' | C1' | C2' | 5.8° | 26.3° |
C4' | O4' | C1' | H1' | 128.7° | 93.2° |
O4' | C4' | C3' | C2' | 46.2° | 36.9° |
O4' | C4' | C3' | H3'1 | 170.3° | 155.1° |
O4' | C4' | C3' | H3'2 | 73.8° | 81.3° |
C3' | C4' | O4' | C1' | 25.9° | 39.8° |
C4' | C3' | C2' | C1' | 47.7° | 20.9° |
C4' | C3' | C2' | H3'1 | 124.0° | 118.2° |
C4' | C3' | C2' | H3'2 | 120.0° | 118.2° |
C4' | C3' | C2' | H2'1 | 171.1° | 97.8° |
C4' | C3' | C2' | H2'2 | 72.2° | 139.5° |
C4' | C3' | H3'1 | H3'2 | 123.3° | 123.6° |
H4' | C4' | O4' | C1' | 95.5° | 78.7° |
H4' | C4' | C3' | C2' | 75.3° | 81.5° |
H4' | C4' | C3' | H3'1 | 48.8° | 36.7° |
H4' | C4' | C3' | H3'2 | 164.7° | 160.3° |
O4' | C1' | N1 | C2' | 114.5° | 118.0° |
O4' | C1' | N1 | H1' | 122.4° | 121.0° |
O4' | C1' | C2' | H1' | 122.1° | 119.5° |
O4' | C1' | N1 | C6 | 20.3° | 126.7° |
O4' | C1' | N1 | C2 | 162.4° | 53.3° |
O4' | C1' | C2' | C3' | 34.8° | 1.9° |
O4' | C1' | C2' | H2'1 | 158.1° | 120.6° |
O4' | C1' | C2' | H2'2 | 85.2° | 116.7° |
N1 | C1' | C2' | H1' | 120.6° | 121.0° |
C1' | N1 | C6 | C2 | 177.2° | 180.0° |
C1' | N1 | C6 | C5 | 176.4° | 180.0° |
C1' | N1 | C6 | H6 | 3.6° | 0.1° |
C1' | N1 | C2 | O2 | 4.1° | 0.1° |
C1' | N1 | C2 | N3 | 176.6° | 179.9° |
N1 | C1' | C2' | C3' | 82.5° | 121.4° |
N1 | C1' | C2' | H2'1 | 40.8° | 119.9° |
N1 | C1' | C2' | H2'2 | 157.5° | 2.8° |
C2' | C1' | N1 | C6 | 94.2° | 115.3° |
C2' | C1' | N1 | C2 | 83.1° | 64.7° |
C1' | C2' | C3' | H2'1 | 123.3° | 118.7° |
C1' | C2' | C3' | H2'2 | 120.0° | 118.7° |
C1' | C2' | H2'1 | H2'2 | 122.6° | 122.6° |
C1' | C2' | C3' | H3'1 | 171.8° | 139.1° |
C1' | C2' | C3' | H3'2 | 72.2° | 97.4° |
H1' | C1' | N1 | C6 | 142.8° | 5.7° |
H1' | C1' | N1 | C2 | 40.0° | 174.3° |
H1' | C1' | C2' | C3' | 156.9° | 117.5° |
H1' | C1' | C2' | H2'1 | 79.8° | 1.2° |
H1' | C1' | C2' | H2'2 | 36.9° | 123.8° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
C6 | N1 | C2 | O2 | 178.6° | 179.9° |
C6 | N1 | C2 | N3 | 0.7° | 0.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.3° |
N1 | C6 | C5 | C5M | 179.6° | 180.0° |
C2 | N1 | C6 | C5 | 0.8° | 0.1° |
C2 | N1 | C6 | H6 | 179.1° | 180.0° |
N1 | C2 | O2 | N3 | 179.3° | 179.9° |
N1 | C2 | N3 | C4 | 0.0° | 0.2° |
N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.6° | 0.5° |
C6 | C5 | C4 | O4 | 177.9° | 180.0° |
C6 | C5 | C4 | C5M | 179.5° | 179.7° |
C6 | C5 | C5M | H5M1 | 154.3° | 90.0° |
C6 | C5 | C5M | H5M2 | 85.7° | 150.0° |
C6 | C5 | C5M | H5M3 | 34.3° | 30.0° |
H6 | C6 | C5 | C4 | 179.8° | 179.8° |
H6 | C6 | C5 | C5M | 0.3° | 0.1° |
O2 | C2 | N3 | C4 | 179.3° | 179.7° |
O2 | C2 | N3 | HN3 | 0.7° | 0.1° |
C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
C2 | N3 | C4 | O4 | 177.8° | 180.0° |
C2 | N3 | C4 | C5 | 0.7° | 0.4° |
N3 | C4 | O4 | C5 | 178.5° | 179.5° |
N3 | C4 | C5 | C5M | 178.9° | 179.8° |
HN3 | N3 | C4 | O4 | 2.2° | 0.2° |
HN3 | N3 | C4 | C5 | 179.3° | 179.8° |
O4 | C4 | C5 | C5M | 2.7° | 0.3° |
C4 | C5 | C5M | H5M1 | 25.2° | 90.3° |
C4 | C5 | C5M | H5M2 | 94.8° | 29.7° |
C4 | C5 | C5M | H5M3 | 145.2° | 149.7° |
C5 | C5M | H5M1 | H5M2 | 120.0° | 120.0° |
C5 | C5M | H5M1 | H5M3 | 120.0° | 120.0° |
C5 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
C3' | C2' | H2'1 | H2'2 | 122.5° | 122.6° |
C2' | C3' | H3'1 | H3'2 | 123.4° | 123.7° |
H2'1 | C2' | C3' | H3'1 | 64.9° | 20.4° |
H2'1 | C2' | C3' | H3'2 | 51.1° | 144.0° |
H2'2 | C2' | C3' | H3'1 | 51.8° | 102.2° |
H2'2 | C2' | C3' | H3'2 | 167.8° | 21.3° |
O3A | PB | O1B | O2B | 105.7° | 120.0° |
O3A | PB | O1B | O3B | 96.1° | 120.0° |
O3A | PB | O2B | O3B | 102.6° | 120.0° |
O3A | PB | O2B | HO2B | 83.6° | 60.0° |
O3A | PB | O3B | PG | 130.7° | 160.0° |
O1B | PB | O2B | O3B | 155.9° | 120.0° |
O1B | PB | O2B | HO2B | 17.9° | 180.0° |
O1B | PB | O3B | PG | 133.8° | 40.0° |
O2B | PB | O3B | PG | 24.5° | 80.0° |
O3B | PB | O2B | HO2B | 173.8° | 60.0° |
PB | O3B | PG | O1G | 79.1° | 165.0° |
PB | O3B | PG | O2G | 33.7° | 45.0° |
PB | O3B | PG | O3G | 157.5° | 75.0° |
O3B | PG | O1G | O2G | 113.2° | 119.9° |
O3B | PG | O1G | O3G | 122.8° | 120.0° |
O3B | PG | O2G | O3G | 123.4° | 120.0° |
O3B | PG | O1G | HO1G | 36.0° | 180.0° |
O3B | PG | O3G | HO3G | 149.2° | 60.0° |
O1G | PG | O2G | O3G | 124.1° | 120.1° |
O1G | PG | O3G | HO3G | 30.0° | 60.0° |
O2G | PG | O1G | HO1G | 77.2° | 60.1° |
O2G | PG | O3G | HO3G | 90.4° | 180.0° |
O3G | PG | O1G | HO1G | 158.9° | 60.0° |