UCL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | doub | 1.48Å | 1.59Å | |
P | O1P | sing | 1.61Å | 1.48Å | |
P | O2P | sing | 1.61Å | 1.51Å | |
P | O5' | sing | 1.61Å | 1.61Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.45Å | 1.42Å | |
C4' | C3' | sing | 1.54Å | 1.57Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.49Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C2' | sing | 1.54Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.55Å | 1.49Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C1' | N1 | sing | 1.47Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.35Å | 1.43Å | |
N1 | C6 | sing | 1.37Å | 1.30Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C4 | sing | 1.35Å | 1.37Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | doub | 1.22Å | 1.22Å | |
C4 | C5 | sing | 1.42Å | 1.42Å | |
C5 | C6 | doub | 1.35Å | 1.31Å | |
C5 | CL | sing | 1.74Å | 1.75Å | |
C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3P | P | O1P | 105.5° | 109.5° |
O3P | P | O2P | 108.1° | 109.4° |
O3P | P | O5' | 105.0° | 109.5° |
O1P | P | O2P | 114.5° | 109.4° |
O1P | P | O5' | 112.3° | 109.5° |
P | O1P | HO1P | 109.5° | 106.8° |
O2P | P | O5' | 110.7° | 109.5° |
P | O2P | HO2P | 109.5° | 106.8° |
P | O5' | C5' | 121.5° | 106.8° |
O5' | C5' | C4' | 108.0° | 109.5° |
O5' | C5' | H5'1 | 110.0° | 109.4° |
O5' | C5' | H5'2 | 110.3° | 109.5° |
C4' | C5' | H5'1 | 110.0° | 109.5° |
C4' | C5' | H5'2 | 110.3° | 109.5° |
C5' | C4' | O4' | 113.6° | 110.4° |
C5' | C4' | C3' | 112.2° | 110.6° |
C5' | C4' | H4' | 102.5° | 110.4° |
H5'1 | C5' | H5'2 | 108.3° | 109.5° |
O4' | C4' | C3' | 101.3° | 104.7° |
O4' | C4' | H4' | 113.2° | 110.4° |
C4' | O4' | C1' | 114.3° | 105.3° |
C3' | C4' | H4' | 114.5° | 110.3° |
C4' | C3' | O3' | 109.0° | 110.5° |
C4' | C3' | C2' | 95.2° | 104.2° |
C4' | C3' | H3' | 122.8° | 110.6° |
O4' | C1' | C2' | 94.5° | 104.8° |
O4' | C1' | N1 | 102.4° | 110.5° |
O4' | C1' | H1' | 124.0° | 110.4° |
O3' | C3' | C2' | 120.1° | 110.5° |
O3' | C3' | H3' | 99.3° | 110.4° |
C3' | O3' | HO3' | 109.5° | 106.8° |
C2' | C3' | H3' | 112.2° | 110.5° |
C3' | C2' | C1' | 103.8° | 104.1° |
C3' | C2' | H2'1 | 111.4° | 110.5° |
C3' | C2' | H2'2 | 112.6° | 110.6° |
C1' | C2' | H2'1 | 111.4° | 110.5° |
C1' | C2' | H2'2 | 112.6° | 110.5° |
C2' | C1' | N1 | 114.0° | 110.4° |
C2' | C1' | H1' | 114.0° | 110.4° |
H2'1 | C2' | H2'2 | 105.2° | 110.5° |
N1 | C1' | H1' | 107.5° | 110.3° |
C1' | N1 | C2 | 114.6° | 119.7° |
C1' | N1 | C6 | 135.5° | 119.7° |
C2 | N1 | C6 | 109.9° | 120.6° |
N1 | C2 | O2 | 127.4° | 119.5° |
N1 | C2 | N3 | 119.3° | 120.9° |
N1 | C6 | C5 | 135.7° | 119.7° |
N1 | C6 | H6 | 112.2° | 120.1° |
O2 | C2 | N3 | 113.2° | 119.5° |
C2 | N3 | C4 | 125.7° | 120.3° |
C2 | N3 | HN3 | 117.2° | 119.8° |
C4 | N3 | HN3 | 117.2° | 119.9° |
N3 | C4 | O4 | 123.3° | 120.3° |
N3 | C4 | C5 | 114.0° | 119.4° |
O4 | C4 | C5 | 122.7° | 120.4° |
C4 | C5 | C6 | 115.4° | 119.1° |
C4 | C5 | CL | 117.8° | 120.4° |
C6 | C5 | CL | 126.8° | 120.5° |
C5 | C6 | H6 | 112.2° | 120.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 118.7° | 120.0° |
O3P | P | O1P | O5' | 113.9° | 120.0° |
O3P | P | O2P | O5' | 114.5° | 120.0° |
O3P | P | O1P | HO1P | 25.6° | 180.0° |
O3P | P | O2P | HO2P | 161.2° | 60.0° |
O3P | P | O5' | C5' | 91.0° | 55.1° |
O1P | P | O2P | O5' | 128.2° | 120.0° |
O1P | P | O2P | HO2P | 44.0° | 60.0° |
O1P | P | O5' | C5' | 23.1° | 65.0° |
O2P | P | O1P | HO1P | 93.1° | 60.0° |
O2P | P | O5' | C5' | 152.6° | 175.0° |
O5' | P | O1P | HO1P | 139.4° | 60.0° |
O5' | P | O2P | HO2P | 84.3° | 180.0° |
P | O5' | C5' | C4' | 148.8° | 180.0° |
P | O5' | C5' | H5'1 | 91.2° | 60.1° |
P | O5' | C5' | H5'2 | 28.2° | 59.9° |
O5' | C5' | C4' | H5'1 | 120.0° | 119.9° |
O5' | C5' | C4' | H5'2 | 120.6° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 120.6° | 120.0° |
O5' | C5' | C4' | O4' | 78.7° | 66.5° |
O5' | C5' | C4' | C3' | 35.5° | 178.1° |
O5' | C5' | C4' | H4' | 158.9° | 55.8° |
C4' | C5' | H5'1 | H5'2 | 120.6° | 120.1° |
C5' | C4' | O4' | C3' | 120.5° | 119.1° |
C5' | C4' | O4' | H4' | 116.4° | 122.3° |
C5' | C4' | C3' | H4' | 116.3° | 122.4° |
C5' | C4' | O4' | C1' | 109.9° | 159.4° |
C5' | C4' | C3' | O3' | 152.4° | 98.6° |
C5' | C4' | C3' | C2' | 83.4° | 142.8° |
C5' | C4' | C3' | H3' | 37.3° | 24.0° |
H5'1 | C5' | C4' | O4' | 161.3° | 173.6° |
H5'1 | C5' | C4' | C3' | 84.5° | 58.2° |
H5'1 | C5' | C4' | H4' | 38.8° | 64.1° |
H5'2 | C5' | C4' | O4' | 41.9° | 53.5° |
H5'2 | C5' | C4' | C3' | 156.1° | 61.9° |
H5'2 | C5' | C4' | H4' | 80.6° | 175.8° |
O4' | C4' | C3' | H4' | 122.2° | 118.7° |
O4' | C4' | C3' | O3' | 86.2° | 142.5° |
O4' | C4' | C3' | C2' | 38.1° | 23.9° |
O4' | C4' | C3' | H3' | 158.7° | 94.9° |
C4' | O4' | C1' | C2' | 22.0° | 40.4° |
C4' | O4' | C1' | N1 | 137.8° | 159.3° |
C4' | O4' | C1' | H1' | 101.0° | 78.4° |
C3' | C4' | O4' | C1' | 10.7° | 40.4° |
C4' | C3' | O3' | C2' | 108.0° | 114.8° |
C4' | C3' | O3' | H3' | 129.5° | 122.6° |
C4' | C3' | C2' | H3' | 128.6° | 118.8° |
C4' | C3' | O3' | HO3' | 58.5° | 178.1° |
C4' | C3' | C2' | C1' | 55.4° | 0.0° |
C4' | C3' | C2' | H2'1 | 64.6° | 118.6° |
C4' | C3' | C2' | H2'2 | 177.5° | 118.7° |
H4' | C4' | O4' | C1' | 133.7° | 78.3° |
H4' | C4' | C3' | O3' | 36.0° | 23.8° |
H4' | C4' | C3' | C2' | 160.3° | 94.9° |
H4' | C4' | C3' | H3' | 79.1° | 146.4° |
O4' | C1' | C2' | C3' | 47.9° | 23.9° |
O4' | C1' | C2' | N1 | 105.7° | 119.0° |
O4' | C1' | C2' | H1' | 130.4° | 118.9° |
O4' | C1' | C2' | H2'1 | 72.1° | 94.7° |
O4' | C1' | C2' | H2'2 | 169.9° | 142.7° |
O4' | C1' | N1 | H1' | 131.9° | 122.4° |
O4' | C1' | N1 | C2 | 100.0° | 50.2° |
O4' | C1' | N1 | C6 | 80.1° | 129.6° |
O3' | C3' | C2' | H3' | 115.9° | 122.5° |
O3' | C3' | C2' | C1' | 60.1° | 118.7° |
O3' | C3' | C2' | H2'1 | 179.9° | 122.7° |
O3' | C3' | C2' | H2'2 | 62.0° | 0.0° |
C2' | C3' | O3' | HO3' | 49.6° | 63.3° |
C3' | C2' | C1' | H2'1 | 120.0° | 118.6° |
C3' | C2' | C1' | H2'2 | 122.1° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 122.3° | 122.7° |
C3' | C2' | C1' | N1 | 153.6° | 142.9° |
C3' | C2' | C1' | H1' | 82.6° | 94.9° |
H3' | C3' | O3' | HO3' | 172.0° | 59.3° |
H3' | C3' | C2' | C1' | 176.0° | 118.8° |
H3' | C3' | C2' | H2'1 | 64.0° | 0.2° |
H3' | C3' | C2' | H2'2 | 53.9° | 122.5° |
C1' | C2' | H2'1 | H2'2 | 122.3° | 122.6° |
C2' | C1' | N1 | H1' | 127.3° | 122.2° |
C2' | C1' | N1 | C2 | 159.2° | 65.3° |
C2' | C1' | N1 | C6 | 20.7° | 115.0° |
H2'1 | C2' | C1' | N1 | 33.6° | 24.3° |
H2'1 | C2' | C1' | H1' | 157.4° | 146.4° |
H2'2 | C2' | C1' | N1 | 84.4° | 98.4° |
H2'2 | C2' | C1' | H1' | 39.5° | 23.8° |
C1' | N1 | C2 | C6 | 179.9° | 179.7° |
C1' | N1 | C2 | O2 | 1.4° | 0.3° |
C1' | N1 | C2 | N3 | 178.7° | 179.8° |
C1' | N1 | C6 | C5 | 179.1° | 180.0° |
C1' | N1 | C6 | H6 | 1.0° | 0.1° |
H1' | C1' | N1 | C2 | 31.9° | 172.5° |
H1' | C1' | N1 | C6 | 148.0° | 7.2° |
N1 | C2 | O2 | N3 | 177.4° | 179.5° |
N1 | C2 | N3 | C4 | 2.2° | 0.5° |
N1 | C2 | N3 | HN3 | 177.8° | 179.8° |
C2 | N1 | C6 | C5 | 1.1° | 0.2° |
C2 | N1 | C6 | H6 | 178.9° | 179.8° |
C6 | N1 | C2 | O2 | 178.5° | 180.0° |
C6 | N1 | C2 | N3 | 1.2° | 0.5° |
N1 | C6 | C5 | C4 | 2.4° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | CL | 176.6° | 180.0° |
O2 | C2 | N3 | C4 | 179.8° | 180.0° |
O2 | C2 | N3 | HN3 | 0.2° | 0.3° |
C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
C2 | N3 | C4 | O4 | 179.6° | 179.7° |
C2 | N3 | C4 | C5 | 0.8° | 0.2° |
N3 | C4 | O4 | C5 | 179.5° | 179.9° |
N3 | C4 | C5 | C6 | 1.2° | 0.0° |
N3 | C4 | C5 | CL | 177.8° | 180.0° |
HN3 | N3 | C4 | O4 | 0.4° | 0.0° |
HN3 | N3 | C4 | C5 | 179.2° | 179.9° |
O4 | C4 | C5 | C6 | 178.3° | 180.0° |
O4 | C4 | C5 | CL | 2.6° | 0.1° |
C4 | C5 | C6 | CL | 178.9° | 180.0° |
C4 | C5 | C6 | H6 | 177.6° | 180.0° |
CL | C5 | C6 | H6 | 3.5° | 0.0° |