UTP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.49Å | |
PA | O3A | sing | 1.61Å | 1.62Å | |
PA | O5' | sing | 1.61Å | 1.58Å | |
O2A | H2A | sing | 0.97Å | 0.95Å | |
O3A | PB | sing | 1.61Å | 1.58Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
PB | O1B | sing | 1.61Å | 1.45Å | |
PB | O2B | doub | 1.48Å | 1.44Å | |
PB | O3B | sing | 1.61Å | 1.59Å | |
O1B | H1B | sing | 0.97Å | 0.95Å | |
O3B | PG | sing | 1.61Å | 1.58Å | |
PG | O1G | sing | 1.61Å | 1.53Å | |
PG | O2G | doub | 1.48Å | 1.51Å | |
PG | O3G | sing | 1.61Å | 1.52Å | |
O1G | H1G | sing | 0.97Å | 0.95Å | |
O3G | H3G | sing | 0.97Å | 0.95Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | N1 | sing | 1.46Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HA | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HB | sing | 0.97Å | 0.95Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
N1 | C2 | sing | 1.35Å | 1.39Å | Aromatic |
C6 | C5 | doub | 1.35Å | 1.34Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
N3 | C4 | sing | 1.35Å | 1.38Å | Aromatic |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | doub | 1.22Å | 1.24Å | |
C4 | C5 | sing | 1.42Å | 1.44Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | PA | O2A | 120.1° | 109.5° |
O1A | PA | O3A | 110.2° | 109.5° |
O1A | PA | O5' | 110.3° | 109.5° |
O2A | PA | O3A | 108.0° | 109.4° |
O2A | PA | O5' | 108.3° | 109.5° |
PA | O2A | H2A | 109.5° | 106.8° |
O3A | PA | O5' | 97.5° | 109.5° |
PA | O3A | PB | 131.8° | 106.8° |
PA | O5' | C5' | 120.0° | 106.8° |
O3A | PB | O1B | 116.1° | 109.5° |
O3A | PB | O2B | 104.7° | 109.4° |
O3A | PB | O3B | 98.9° | 109.5° |
O5' | C5' | C4' | 109.8° | 109.4° |
O5' | C5' | H5'1 | 109.3° | 109.5° |
O5' | C5' | H5'2 | 109.3° | 109.5° |
O1B | PB | O2B | 118.3° | 109.5° |
O1B | PB | O3B | 106.5° | 109.5° |
PB | O1B | H1B | 109.5° | 106.8° |
O2B | PB | O3B | 110.6° | 109.5° |
PB | O3B | PG | 130.9° | 106.8° |
O3B | PG | O1G | 107.1° | 109.5° |
O3B | PG | O2G | 103.2° | 109.5° |
O3B | PG | O3G | 109.0° | 109.5° |
O1G | PG | O2G | 113.7° | 109.4° |
O1G | PG | O3G | 111.3° | 109.4° |
PG | O1G | H1G | 109.5° | 106.8° |
O2G | PG | O3G | 112.2° | 109.5° |
PG | O3G | H3G | 109.5° | 106.9° |
C4' | C5' | H5'1 | 109.3° | 109.5° |
C4' | C5' | H5'2 | 109.4° | 109.5° |
C5' | C4' | O4' | 109.2° | 110.4° |
C5' | C4' | C3' | 113.9° | 110.7° |
C5' | C4' | H4' | 105.6° | 110.4° |
H5'1 | C5' | H5'2 | 109.7° | 109.5° |
O4' | C4' | C3' | 106.4° | 104.7° |
O4' | C4' | H4' | 113.3° | 110.3° |
C4' | O4' | C1' | 108.4° | 105.4° |
C3' | C4' | H4' | 108.5° | 110.3° |
C4' | C3' | C2' | 103.4° | 104.2° |
C4' | C3' | O3' | 110.0° | 110.5° |
C4' | C3' | H3' | 114.1° | 110.5° |
O4' | C1' | C2' | 103.2° | 104.8° |
O4' | C1' | N1 | 109.0° | 110.5° |
O4' | C1' | H1' | 115.4° | 110.4° |
C2' | C1' | N1 | 113.8° | 110.3° |
C2' | C1' | H1' | 110.6° | 110.4° |
C1' | C2' | O2' | 111.5° | 110.6° |
C1' | C2' | C3' | 101.7° | 104.0° |
C1' | C2' | H2' | 114.6° | 110.6° |
N1 | C1' | H1' | 105.1° | 110.3° |
C1' | N1 | C6 | 121.5° | 119.7° |
C1' | N1 | C2 | 117.7° | 119.7° |
O2' | C2' | C3' | 113.3° | 110.4° |
O2' | C2' | H2' | 103.3° | 110.5° |
C2' | O2' | HA | 109.5° | 106.8° |
C3' | C2' | H2' | 112.9° | 110.5° |
C2' | C3' | O3' | 112.5° | 110.5° |
C2' | C3' | H3' | 111.7° | 110.5° |
O3' | C3' | H3' | 105.3° | 110.5° |
C3' | O3' | HB | 109.5° | 106.9° |
C6 | N1 | C2 | 120.8° | 120.6° |
N1 | C6 | C5 | 122.7° | 119.7° |
N1 | C6 | H6 | 118.6° | 120.1° |
N1 | C2 | O2 | 122.7° | 119.5° |
N1 | C2 | N3 | 115.1° | 121.0° |
C5 | C6 | H6 | 118.7° | 120.1° |
C6 | C5 | C4 | 119.9° | 119.1° |
C6 | C5 | H5 | 120.0° | 120.4° |
O2 | C2 | N3 | 122.2° | 119.5° |
C2 | N3 | C4 | 126.9° | 120.2° |
C2 | N3 | H3 | 116.5° | 119.9° |
C4 | N3 | H3 | 116.5° | 119.9° |
N3 | C4 | O4 | 119.6° | 120.3° |
N3 | C4 | C5 | 114.5° | 119.4° |
O4 | C4 | C5 | 125.8° | 120.3° |
C4 | C5 | H5 | 120.1° | 120.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | PA | O2A | O3A | 127.4° | 120.0° |
O1A | PA | O2A | O5' | 127.9° | 120.0° |
O1A | PA | O3A | O5' | 114.9° | 120.0° |
O1A | PA | O2A | H2A | 49.2° | 180.0° |
O1A | PA | O3A | PB | 105.3° | 45.0° |
O1A | PA | O5' | C5' | 179.7° | 55.0° |
O2A | PA | O3A | O5' | 112.1° | 120.0° |
O2A | PA | O3A | PB | 27.6° | 75.0° |
O2A | PA | O5' | C5' | 46.4° | 65.0° |
O3A | PA | O2A | H2A | 176.6° | 60.0° |
O3A | PA | O5' | C5' | 65.4° | 175.0° |
PA | O3A | PB | O1B | 12.7° | 80.0° |
PA | O3A | PB | O2B | 119.7° | 40.0° |
PA | O3A | PB | O3B | 126.1° | 160.0° |
O5' | PA | O2A | H2A | 78.8° | 60.0° |
O5' | PA | O3A | PB | 139.7° | 165.0° |
PA | O5' | C5' | C4' | 154.0° | 180.0° |
PA | O5' | C5' | H5'1 | 86.2° | 60.0° |
PA | O5' | C5' | H5'2 | 34.0° | 60.0° |
O3A | PB | O1B | O2B | 125.8° | 120.0° |
O3A | PB | O1B | O3B | 109.0° | 120.0° |
O3A | PB | O2B | O3B | 105.6° | 120.0° |
O3A | PB | O1B | H1B | 19.8° | 60.0° |
O3A | PB | O3B | PG | 177.3° | 165.0° |
O5' | C5' | C4' | H5'1 | 119.9° | 120.0° |
O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
O5' | C5' | C4' | O4' | 71.4° | 66.5° |
O5' | C5' | C4' | C3' | 169.8° | 178.1° |
O5' | C5' | C4' | H4' | 50.8° | 55.8° |
O1B | PB | O2B | O3B | 123.2° | 120.0° |
O1B | PB | O3B | PG | 56.6° | 75.0° |
O2B | PB | O1B | H1B | 106.0° | 180.0° |
O2B | PB | O3B | PG | 73.2° | 45.0° |
O3B | PB | O1B | H1B | 128.8° | 60.0° |
PB | O3B | PG | O1G | 159.6° | 80.0° |
PB | O3B | PG | O2G | 80.2° | 40.0° |
PB | O3B | PG | O3G | 39.2° | 160.0° |
O3B | PG | O1G | O2G | 113.2° | 120.0° |
O3B | PG | O1G | O3G | 119.0° | 120.0° |
O3B | PG | O2G | O3G | 117.1° | 120.0° |
O3B | PG | O1G | H1G | 156.1° | 60.0° |
O3B | PG | O3G | H3G | 20.6° | 180.0° |
O1G | PG | O2G | O3G | 127.3° | 119.9° |
O1G | PG | O3G | H3G | 97.2° | 60.0° |
O2G | PG | O1G | H1G | 42.9° | 180.0° |
O2G | PG | O3G | H3G | 134.2° | 60.0° |
O3G | PG | O1G | H1G | 84.9° | 60.0° |
C4' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
C5' | C4' | O4' | C3' | 123.4° | 119.1° |
C5' | C4' | O4' | H4' | 117.4° | 122.2° |
C5' | C4' | C3' | H4' | 117.3° | 122.4° |
C5' | C4' | O4' | C1' | 141.7° | 159.5° |
C5' | C4' | C3' | C2' | 112.1° | 142.7° |
C5' | C4' | C3' | O3' | 127.4° | 98.5° |
C5' | C4' | C3' | H3' | 9.4° | 24.1° |
H5'1 | C5' | C4' | O4' | 168.8° | 173.5° |
H5'1 | C5' | C4' | C3' | 49.9° | 58.1° |
H5'1 | C5' | C4' | H4' | 69.1° | 64.3° |
H5'2 | C5' | C4' | O4' | 48.6° | 53.5° |
H5'2 | C5' | C4' | C3' | 70.2° | 61.9° |
H5'2 | C5' | C4' | H4' | 170.8° | 175.7° |
O4' | C4' | C3' | H4' | 122.2° | 118.7° |
C4' | O4' | C1' | C2' | 37.1° | 40.5° |
C4' | O4' | C1' | N1 | 158.4° | 159.3° |
C4' | O4' | C1' | H1' | 83.7° | 78.4° |
O4' | C4' | C3' | C2' | 8.3° | 23.8° |
O4' | C4' | C3' | O3' | 112.1° | 142.5° |
O4' | C4' | C3' | H3' | 129.8° | 94.9° |
C3' | C4' | O4' | C1' | 18.2° | 40.4° |
C4' | C3' | C2' | C1' | 29.1° | 0.1° |
C4' | C3' | C2' | O2' | 148.9° | 118.9° |
C4' | C3' | C2' | O3' | 118.7° | 118.8° |
C4' | C3' | C2' | H3' | 123.1° | 118.7° |
C4' | C3' | C2' | H2' | 94.2° | 118.6° |
C4' | C3' | O3' | H3' | 123.4° | 122.6° |
C4' | C3' | O3' | HB | 141.0° | 178.1° |
H4' | C4' | O4' | C1' | 100.9° | 78.3° |
H4' | C4' | C3' | C2' | 130.6° | 94.9° |
H4' | C4' | C3' | O3' | 10.1° | 23.9° |
H4' | C4' | C3' | H3' | 107.9° | 146.5° |
O4' | C1' | C2' | N1 | 117.9° | 118.9° |
O4' | C1' | C2' | H1' | 124.0° | 118.9° |
O4' | C1' | N1 | H1' | 124.2° | 122.3° |
O4' | C1' | C2' | O2' | 161.8° | 142.7° |
O4' | C1' | C2' | C3' | 40.8° | 24.0° |
O4' | C1' | C2' | H2' | 81.3° | 94.6° |
O4' | C1' | N1 | C6 | 49.8° | 129.6° |
O4' | C1' | N1 | C2 | 131.6° | 50.2° |
C2' | C1' | N1 | H1' | 121.2° | 122.2° |
C1' | C2' | O2' | C3' | 114.0° | 114.6° |
C1' | C2' | O2' | H2' | 123.6° | 122.8° |
C1' | C2' | C3' | H2' | 123.3° | 118.7° |
C1' | C2' | O2' | HA | 87.2° | 176.1° |
C1' | C2' | C3' | O3' | 89.6° | 118.6° |
C1' | C2' | C3' | H3' | 152.2° | 118.8° |
C2' | C1' | N1 | C6 | 64.8° | 115.0° |
C2' | C1' | N1 | C2 | 113.8° | 65.2° |
N1 | C1' | C2' | O2' | 80.2° | 98.4° |
N1 | C1' | C2' | C3' | 158.8° | 143.0° |
N1 | C1' | C2' | H2' | 36.7° | 24.3° |
C1' | N1 | C6 | C2 | 178.6° | 179.8° |
C1' | N1 | C6 | C5 | 176.6° | 180.0° |
C1' | N1 | C6 | H6 | 3.4° | 0.0° |
C1' | N1 | C2 | O2 | 4.4° | 0.2° |
C1' | N1 | C2 | N3 | 176.1° | 179.8° |
H1' | C1' | C2' | O2' | 37.8° | 23.7° |
H1' | C1' | C2' | C3' | 83.2° | 94.9° |
H1' | C1' | C2' | H2' | 154.8° | 146.5° |
H1' | C1' | N1 | C6 | 174.0° | 7.3° |
H1' | C1' | N1 | C2 | 7.4° | 172.5° |
O2' | C2' | C3' | H2' | 117.0° | 122.6° |
O2' | C2' | C3' | O3' | 30.1° | 0.1° |
O2' | C2' | C3' | H3' | 88.0° | 122.5° |
C3' | C2' | O2' | HA | 158.8° | 61.5° |
C2' | C3' | O3' | H3' | 121.8° | 122.6° |
C2' | C3' | O3' | HB | 26.2° | 63.3° |
H2' | C2' | O2' | HA | 36.3° | 61.1° |
H2' | C2' | C3' | O3' | 147.1° | 122.7° |
H2' | C2' | C3' | H3' | 28.9° | 0.1° |
H3' | C3' | O3' | HB | 95.6° | 59.3° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 176.9° | 180.0° |
C6 | N1 | C2 | N3 | 2.5° | 0.4° |
N1 | C6 | C5 | C4 | 0.2° | 0.0° |
N1 | C6 | C5 | H5 | 179.8° | 180.0° |
C2 | N1 | C6 | C5 | 2.0° | 0.2° |
C2 | N1 | C6 | H6 | 178.0° | 179.8° |
N1 | C2 | O2 | N3 | 179.4° | 179.6° |
N1 | C2 | N3 | C4 | 1.1° | 0.4° |
N1 | C2 | N3 | H3 | 178.8° | 179.8° |
C6 | C5 | C4 | N3 | 1.5° | 0.0° |
C6 | C5 | C4 | O4 | 174.9° | 180.0° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
H6 | C6 | C5 | C4 | 179.8° | 180.0° |
H6 | C6 | C5 | H5 | 0.2° | 0.0° |
O2 | C2 | N3 | C4 | 178.3° | 180.0° |
O2 | C2 | N3 | H3 | 1.7° | 0.1° |
C2 | N3 | C4 | H3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 175.9° | 179.8° |
C2 | N3 | C4 | C5 | 0.8° | 0.2° |
N3 | C4 | O4 | C5 | 176.3° | 180.0° |
N3 | C4 | C5 | H5 | 178.5° | 180.0° |
H3 | N3 | C4 | O4 | 4.1° | 0.1° |
H3 | N3 | C4 | C5 | 179.2° | 179.9° |
O4 | C4 | C5 | H5 | 5.0° | 0.0° |