SP1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | S1P | doub | 1.86Å | 1.84Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
P | O3' | sing | 1.61Å | 1.61Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.52Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.42Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.50Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.42Å | 1.42Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.55Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.00Å | |
N6 | HN62 | sing | 0.97Å | 1.00Å | |
N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S1P | P | O2P | 118.8° | 109.1° |
S1P | P | O5' | 106.5° | 109.2° |
S1P | P | O3' | 108.5° | 109.2° |
O2P | P | O5' | 108.5° | 109.2° |
O2P | P | O3' | 110.5° | 109.2° |
P | O2P | HOP2 | 109.5° | 106.8° |
O5' | P | O3' | 102.8° | 111.0° |
P | O5' | C5' | 120.7° | 108.5° |
P | O3' | C3' | 117.7° | 104.3° |
O5' | C5' | C4' | 108.6° | 107.8° |
O5' | C5' | H5'1 | 110.0° | 109.8° |
O5' | C5' | H5'2 | 109.7° | 109.8° |
C4' | C5' | H5'1 | 109.9° | 109.8° |
C4' | C5' | H5'2 | 109.7° | 109.8° |
C5' | C4' | O4' | 113.5° | 116.5° |
C5' | C4' | C3' | 110.9° | 107.7° |
C5' | C4' | H4' | 104.0° | 109.3° |
H5'1 | C5' | H5'2 | 108.8° | 109.8° |
O4' | C4' | C3' | 103.1° | 104.7° |
O4' | C4' | H4' | 111.6° | 109.2° |
C4' | O4' | C1' | 108.7° | 108.6° |
C3' | C4' | H4' | 114.2° | 109.2° |
C4' | C3' | O3' | 104.6° | 106.7° |
C4' | C3' | C2' | 101.7° | 99.9° |
C4' | C3' | H3' | 122.0° | 112.5° |
O4' | C1' | C2' | 107.5° | 107.5° |
O4' | C1' | N9 | 108.1° | 109.8° |
O4' | C1' | H1' | 114.3° | 109.8° |
O3' | C3' | C2' | 121.1° | 113.9° |
O3' | C3' | H3' | 103.0° | 111.2° |
C2' | C3' | H3' | 105.9° | 112.0° |
C3' | C2' | O2' | 114.6° | 111.0° |
C3' | C2' | C1' | 100.4° | 101.2° |
C3' | C2' | H2' | 111.8° | 111.0° |
O2' | C2' | C1' | 108.5° | 110.7° |
O2' | C2' | H2' | 104.3° | 110.9° |
C2' | O2' | HO2' | 109.5° | 106.8° |
C1' | C2' | H2' | 117.7° | 111.5° |
C2' | C1' | N9 | 116.4° | 109.9° |
C2' | C1' | H1' | 105.7° | 109.9° |
N9 | C1' | H1' | 105.1° | 109.9° |
C1' | N9 | C8 | 125.8° | 126.3° |
C1' | N9 | C4 | 128.4° | 126.2° |
C8 | N9 | C4 | 105.8° | 107.5° |
N9 | C8 | N7 | 113.8° | 110.0° |
N9 | C8 | H8 | 123.1° | 125.0° |
N9 | C4 | C5 | 105.6° | 106.0° |
N9 | C4 | N3 | 127.7° | 135.0° |
N7 | C8 | H8 | 123.1° | 125.0° |
C8 | N7 | C5 | 103.9° | 109.4° |
N7 | C5 | C6 | 131.8° | 134.7° |
N7 | C5 | C4 | 110.9° | 107.1° |
C6 | C5 | C4 | 117.3° | 118.2° |
C5 | C6 | N6 | 123.1° | 120.8° |
C5 | C6 | N1 | 117.9° | 118.5° |
C5 | C4 | N3 | 126.6° | 119.1° |
N6 | C6 | N1 | 118.9° | 120.8° |
C6 | N6 | HN61 | 109.5° | 120.0° |
C6 | N6 | HN62 | 109.5° | 120.0° |
C6 | N1 | C2 | 118.3° | 121.2° |
HN61 | N6 | HN62 | 109.5° | 120.0° |
N1 | C2 | N3 | 129.2° | 122.4° |
N1 | C2 | H2 | 115.4° | 118.8° |
N3 | C2 | H2 | 115.4° | 118.8° |
C2 | N3 | C4 | 110.7° | 120.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1P | P | O2P | O5' | 121.7° | 119.3° |
S1P | P | O2P | O3' | 126.3° | 119.3° |
S1P | P | O5' | O3' | 113.9° | 120.4° |
S1P | P | O2P | HOP2 | 161.2° | 59.3° |
S1P | P | O5' | C5' | 75.1° | 65.1° |
S1P | P | O3' | C3' | 65.1° | 61.7° |
O2P | P | O5' | O3' | 117.1° | 120.4° |
O2P | P | O5' | C5' | 155.9° | 175.7° |
O2P | P | O3' | C3' | 163.0° | 179.0° |
O5' | P | O2P | HOP2 | 39.5° | 60.0° |
P | O5' | C5' | C4' | 48.5° | 58.9° |
P | O5' | C5' | H5'1 | 71.8° | 60.6° |
P | O5' | C5' | H5'2 | 168.5° | 178.5° |
O5' | P | O3' | C3' | 47.3° | 58.6° |
O3' | P | O2P | HOP2 | 72.5° | 178.5° |
O3' | P | O5' | C5' | 38.8° | 55.3° |
P | O3' | C3' | C4' | 63.8° | 66.1° |
P | O3' | C3' | C2' | 177.5° | 175.3° |
P | O3' | C3' | H3' | 64.6° | 56.9° |
O5' | C5' | C4' | H5'1 | 120.4° | 119.5° |
O5' | C5' | C4' | H5'2 | 120.0° | 119.6° |
O5' | C5' | H5'1 | H5'2 | 120.2° | 120.9° |
O5' | C5' | C4' | O4' | 177.1° | 174.2° |
O5' | C5' | C4' | C3' | 61.7° | 68.7° |
O5' | C5' | C4' | H4' | 61.5° | 49.8° |
C4' | C5' | H5'1 | H5'2 | 120.2° | 120.8° |
C5' | C4' | O4' | C3' | 119.9° | 118.8° |
C5' | C4' | O4' | H4' | 117.1° | 124.4° |
C5' | C4' | C3' | H4' | 117.0° | 118.5° |
C5' | C4' | O4' | C1' | 149.1° | 148.6° |
C5' | C4' | C3' | O3' | 69.1° | 74.4° |
C5' | C4' | C3' | C2' | 164.2° | 166.7° |
C5' | C4' | C3' | H3' | 46.9° | 47.8° |
H5'1 | C5' | C4' | O4' | 56.7° | 66.3° |
H5'1 | C5' | C4' | C3' | 58.7° | 50.9° |
H5'1 | C5' | C4' | H4' | 178.1° | 169.3° |
H5'2 | C5' | C4' | O4' | 63.0° | 54.6° |
H5'2 | C5' | C4' | C3' | 178.4° | 171.7° |
H5'2 | C5' | C4' | H4' | 58.5° | 69.8° |
O4' | C4' | C3' | H4' | 121.3° | 116.9° |
O4' | C4' | C3' | O3' | 169.2° | 161.0° |
O4' | C4' | C3' | C2' | 42.5° | 42.2° |
O4' | C4' | C3' | H3' | 74.8° | 76.8° |
C4' | O4' | C1' | C2' | 3.9° | 5.1° |
C4' | O4' | C1' | N9 | 130.2° | 124.6° |
C4' | O4' | C1' | H1' | 113.1° | 114.4° |
C3' | C4' | O4' | C1' | 29.1° | 29.8° |
C4' | C3' | O3' | C2' | 113.6° | 109.2° |
C4' | C3' | O3' | H3' | 128.5° | 123.0° |
C4' | C3' | C2' | H3' | 128.4° | 119.3° |
C4' | C3' | C2' | O2' | 77.2° | 80.5° |
C4' | C3' | C2' | C1' | 38.8° | 37.1° |
C4' | C3' | C2' | H2' | 164.4° | 155.6° |
H4' | C4' | O4' | C1' | 93.9° | 87.0° |
H4' | C4' | C3' | O3' | 48.0° | 44.1° |
H4' | C4' | C3' | C2' | 78.8° | 74.7° |
H4' | C4' | C3' | H3' | 163.9° | 166.3° |
O4' | C1' | C2' | C3' | 22.3° | 21.5° |
O4' | C1' | C2' | O2' | 98.3° | 96.3° |
O4' | C1' | C2' | N9 | 121.3° | 119.5° |
O4' | C1' | C2' | H1' | 122.5° | 119.5° |
O4' | C1' | C2' | H2' | 143.8° | 139.6° |
O4' | C1' | N9 | H1' | 122.5° | 120.9° |
O4' | C1' | N9 | C8 | 114.8° | 23.4° |
O4' | C1' | N9 | C4 | 64.9° | 156.7° |
O3' | C3' | C2' | H3' | 116.5° | 127.3° |
O3' | C3' | C2' | O2' | 37.9° | 32.8° |
O3' | C3' | C2' | C1' | 153.9° | 150.4° |
O3' | C3' | C2' | H2' | 80.5° | 91.1° |
C3' | C2' | O2' | C1' | 111.3° | 111.7° |
C3' | C2' | O2' | H2' | 122.6° | 123.9° |
C3' | C2' | C1' | H2' | 121.5° | 118.1° |
C3' | C2' | O2' | HO2' | 106.5° | 180.0° |
C3' | C2' | C1' | N9 | 99.0° | 98.0° |
C3' | C2' | C1' | H1' | 144.8° | 141.0° |
H3' | C3' | C2' | O2' | 154.3° | 160.2° |
H3' | C3' | C2' | C1' | 89.6° | 82.2° |
H3' | C3' | C2' | H2' | 36.0° | 36.3° |
O2' | C2' | C1' | H2' | 117.9° | 124.1° |
O2' | C2' | C1' | N9 | 140.4° | 144.2° |
O2' | C2' | C1' | H1' | 24.3° | 23.2° |
C1' | C2' | O2' | HO2' | 4.8° | 68.4° |
C2' | C1' | N9 | H1' | 116.5° | 121.0° |
C2' | C1' | N9 | C8 | 124.2° | 94.7° |
C2' | C1' | N9 | C4 | 56.0° | 85.2° |
H2' | C2' | O2' | HO2' | 130.9° | 56.0° |
H2' | C2' | C1' | N9 | 22.5° | 20.1° |
H2' | C2' | C1' | H1' | 93.7° | 100.9° |
C1' | N9 | C8 | C4 | 179.8° | 180.0° |
C1' | N9 | C8 | N7 | 179.9° | 180.0° |
C1' | N9 | C8 | H8 | 0.1° | 0.1° |
C1' | N9 | C4 | C5 | 179.8° | 179.7° |
C1' | N9 | C4 | N3 | 1.7° | 0.1° |
H1' | C1' | N9 | C8 | 7.7° | 144.3° |
H1' | C1' | N9 | C4 | 172.6° | 35.8° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.3° |
C8 | N9 | C4 | C5 | 0.5° | 0.2° |
C8 | N9 | C4 | N3 | 178.0° | 180.0° |
C4 | N9 | C8 | N7 | 0.4° | 0.0° |
C4 | N9 | C8 | H8 | 179.7° | 180.0° |
N9 | C4 | C5 | N7 | 0.4° | 0.4° |
N9 | C4 | C5 | C6 | 179.2° | 179.6° |
N9 | C4 | C5 | N3 | 178.5° | 179.8° |
N9 | C4 | N3 | C2 | 178.5° | 180.0° |
C8 | N7 | C5 | C6 | 178.8° | 179.4° |
C8 | N7 | C5 | C4 | 0.2° | 0.4° |
H8 | C8 | N7 | C5 | 179.9° | 179.8° |
N7 | C5 | C6 | C4 | 178.5° | 178.9° |
N7 | C5 | C6 | N6 | 1.9° | 0.8° |
N7 | C5 | C6 | N1 | 178.0° | 179.5° |
N7 | C5 | C4 | N3 | 178.1° | 179.8° |
C5 | C6 | N6 | N1 | 180.0° | 179.7° |
C5 | C6 | N6 | HN61 | 21.2° | 179.7° |
C5 | C6 | N6 | HN62 | 141.2° | 0.5° |
C5 | C6 | N1 | C2 | 0.1° | 0.3° |
C6 | C5 | C4 | N3 | 0.7° | 0.6° |
C4 | C5 | C6 | N6 | 179.6° | 179.7° |
C4 | C5 | C6 | N1 | 0.5° | 0.6° |
C5 | C4 | N3 | C2 | 0.3° | 0.2° |
C6 | N6 | HN61 | HN62 | 120.0° | 179.8° |
N6 | C6 | N1 | C2 | 179.9° | 180.0° |
N1 | C6 | N6 | HN61 | 158.8° | 0.0° |
N1 | C6 | N6 | HN62 | 38.8° | 179.7° |
C6 | N1 | C2 | N3 | 0.6° | 0.1° |
C6 | N1 | C2 | H2 | 179.4° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.3° | 0.1° |
H2 | C2 | N3 | C4 | 179.7° | 180.0° |