2SA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PA | O1A | sing | 1.48Å | 1.52Å | |
PA | O2A | sing | 1.61Å | 1.51Å | |
PA | O3A | doub | 1.61Å | 1.52Å | |
PA | O5' | sing | 1.61Å | 1.63Å | |
O1A | HO1 | sing | 6.57Å | 0.95Å | |
O2A | H2A | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | HC51 | sing | 1.09Å | 1.11Å | |
C5' | HC52 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | HC4 | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | HC1 | sing | 1.09Å | 1.11Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | HC2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.39Å | |
C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
N6 | C61 | sing | 1.46Å | 1.48Å | |
N6 | HN6 | sing | 0.97Å | 1.02Å | |
C61 | C62 | sing | 1.51Å | 1.53Å | |
C61 | C63 | sing | 1.53Å | 1.55Å | |
C61 | H61 | sing | 1.09Å | 1.11Å | |
C62 | O65 | doub | 1.34Å | 1.25Å | |
C62 | O66 | sing | 1.21Å | 1.25Å | |
C63 | C64 | sing | 1.51Å | 1.54Å | |
C63 | H631 | sing | 1.09Å | 1.12Å | |
C63 | H632 | sing | 1.09Å | 1.11Å | |
C64 | O67 | sing | 1.34Å | 1.25Å | |
C64 | O68 | doub | 1.21Å | 1.25Å | |
O66 | H66 | sing | 5.88Å | 0.95Å | |
O67 | H67 | sing | 0.97Å | 0.95Å | |
C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | HC8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | HC3 | sing | 1.09Å | 1.12Å | |
O3' | HO3 | 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 | O3A | 111.4° | 109.5° |
O1A | PA | O5' | 106.3° | 109.4° |
PA | O1A | HO1 | 112.3° | 88.8° |
O2A | PA | O3A | 113.9° | 109.5° |
O2A | PA | O5' | 105.2° | 109.5° |
PA | O2A | H2A | 112.3° | 106.8° |
O3A | PA | O5' | 107.2° | 109.5° |
PA | O5' | C5' | 121.2° | 106.8° |
O5' | C5' | C4' | 109.8° | 109.5° |
O5' | C5' | HC51 | 112.1° | 109.4° |
O5' | C5' | HC52 | 112.1° | 109.5° |
C4' | C5' | HC51 | 112.1° | 109.4° |
C4' | C5' | HC52 | 112.1° | 109.5° |
C5' | C4' | O4' | 109.4° | 110.4° |
C5' | C4' | C3' | 113.7° | 110.7° |
C5' | C4' | HC4 | 105.7° | 110.4° |
HC51 | C5' | HC52 | 98.3° | 109.5° |
O4' | C4' | C3' | 106.3° | 104.7° |
O4' | C4' | HC4 | 113.2° | 110.4° |
C4' | O4' | C1' | 109.2° | 105.4° |
C3' | C4' | HC4 | 108.8° | 110.2° |
C4' | C3' | C2' | 102.9° | 104.2° |
C4' | C3' | O3' | 112.2° | 110.5° |
C4' | C3' | HC3 | 113.8° | 110.5° |
O4' | C1' | N9 | 109.0° | 110.4° |
O4' | C1' | C2' | 104.0° | 104.8° |
O4' | C1' | HC1 | 112.6° | 110.4° |
N9 | C1' | C2' | 107.4° | 110.4° |
N9 | C1' | HC1 | 109.5° | 110.4° |
C1' | N9 | C4 | 125.4° | 126.3° |
C1' | N9 | C8 | 128.5° | 126.3° |
C2' | C1' | HC1 | 114.1° | 110.3° |
C1' | C2' | O2' | 112.5° | 110.7° |
C1' | C2' | C3' | 101.5° | 104.1° |
C1' | C2' | H2' | 115.3° | 110.5° |
C4 | N9 | C8 | 106.0° | 107.4° |
N9 | C4 | N3 | 127.2° | 134.9° |
N9 | C4 | C5 | 105.7° | 106.0° |
N9 | C8 | N7 | 113.5° | 110.0° |
N9 | C8 | HC8 | 125.3° | 125.0° |
N3 | C4 | C5 | 127.0° | 119.1° |
C4 | N3 | C2 | 110.6° | 120.6° |
C4 | C5 | C6 | 116.8° | 118.2° |
C4 | C5 | N7 | 110.7° | 107.2° |
N3 | C2 | N1 | 129.2° | 122.5° |
N3 | C2 | HC2 | 115.1° | 118.8° |
N1 | C2 | HC2 | 115.7° | 118.7° |
C2 | N1 | C6 | 118.6° | 121.2° |
N1 | C6 | N6 | 120.9° | 120.8° |
N1 | C6 | C5 | 117.7° | 118.4° |
N6 | C6 | C5 | 119.9° | 120.8° |
C6 | N6 | C61 | 112.5° | 120.0° |
C6 | N6 | HN6 | 111.1° | 120.0° |
C6 | C5 | N7 | 132.5° | 134.7° |
C61 | N6 | HN6 | 111.1° | 120.0° |
N6 | C61 | C62 | 111.1° | 109.5° |
N6 | C61 | C63 | 111.3° | 109.5° |
N6 | C61 | H61 | 107.4° | 109.5° |
C62 | C61 | C63 | 110.6° | 109.5° |
C62 | C61 | H61 | 108.2° | 109.5° |
C61 | C62 | O65 | 116.8° | 120.0° |
C61 | C62 | O66 | 119.2° | 120.0° |
C63 | C61 | H61 | 108.0° | 109.4° |
C61 | C63 | C64 | 113.1° | 109.5° |
C61 | C63 | H631 | 110.8° | 109.4° |
C61 | C63 | H632 | 110.9° | 109.5° |
O65 | C62 | O66 | 123.9° | 120.0° |
C62 | O66 | H66 | 119.2° | 105.5° |
C64 | C63 | H631 | 110.9° | 109.5° |
C64 | C63 | H632 | 110.9° | 109.5° |
C63 | C64 | O67 | 119.9° | 120.0° |
C63 | C64 | O68 | 118.3° | 120.0° |
H631 | C63 | H632 | 99.4° | 109.4° |
O67 | C64 | O68 | 121.8° | 120.0° |
C64 | O67 | H67 | 119.9° | 120.0° |
C5 | N7 | C8 | 103.9° | 109.4° |
N7 | C8 | HC8 | 121.2° | 125.0° |
O2' | C2' | C3' | 116.3° | 110.5° |
O2' | C2' | H2' | 100.3° | 110.5° |
C2' | O2' | HO2 | 112.5° | 106.8° |
C3' | C2' | H2' | 111.5° | 110.5° |
C2' | C3' | O3' | 114.2° | 110.5° |
C2' | C3' | HC3 | 111.7° | 110.5° |
O3' | C3' | HC3 | 102.3° | 110.4° |
C3' | O3' | HO3 | 112.3° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | PA | O2A | O3A | 127.7° | 120.0° |
O1A | PA | O2A | O5' | 115.2° | 119.9° |
O1A | PA | O3A | O5' | 115.9° | 119.9° |
O1A | PA | O2A | H2A | 180.0° | 60.0° |
O1A | PA | O5' | C5' | 171.9° | 55.0° |
O2A | PA | O3A | O5' | 115.9° | 120.1° |
O2A | PA | O1A | HO1 | 180.0° | 112.5° |
O2A | PA | O5' | C5' | 52.7° | 174.9° |
O3A | PA | O1A | HO1 | 51.0° | 127.5° |
O3A | PA | O2A | H2A | 52.2° | 60.0° |
O3A | PA | O5' | C5' | 68.9° | 65.0° |
O5' | PA | O1A | HO1 | 65.5° | 7.5° |
O5' | PA | O2A | H2A | 64.8° | 180.0° |
PA | O5' | C5' | C4' | 132.6° | 180.0° |
PA | O5' | C5' | HC51 | 7.3° | 60.0° |
PA | O5' | C5' | HC52 | 102.2° | 60.0° |
O5' | C5' | C4' | HC51 | 125.3° | 119.9° |
O5' | C5' | C4' | HC52 | 125.3° | 120.1° |
O5' | C5' | HC51 | HC52 | 118.0° | 120.0° |
O5' | C5' | C4' | O4' | 64.3° | 66.5° |
O5' | C5' | C4' | C3' | 54.3° | 178.1° |
O5' | C5' | C4' | HC4 | 173.6° | 55.8° |
C4' | C5' | HC51 | HC52 | 118.0° | 120.0° |
C5' | C4' | O4' | C3' | 123.1° | 119.1° |
C5' | C4' | O4' | HC4 | 117.5° | 122.3° |
C5' | C4' | C3' | HC4 | 117.5° | 122.4° |
C5' | C4' | O4' | C1' | 132.0° | 159.4° |
C5' | C4' | C3' | C2' | 103.6° | 142.7° |
C5' | C4' | C3' | O3' | 133.1° | 98.5° |
C5' | C4' | C3' | HC3 | 17.5° | 24.0° |
HC51 | C5' | C4' | O4' | 61.0° | 173.6° |
HC51 | C5' | C4' | C3' | 179.6° | 58.2° |
HC51 | C5' | C4' | HC4 | 61.2° | 64.2° |
HC52 | C5' | C4' | O4' | 170.4° | 53.6° |
HC52 | C5' | C4' | C3' | 70.9° | 61.8° |
HC52 | C5' | C4' | HC4 | 48.3° | 175.8° |
O4' | C4' | C3' | HC4 | 122.2° | 118.7° |
C4' | O4' | C1' | N9 | 145.1° | 159.3° |
C4' | O4' | C1' | C2' | 30.9° | 40.4° |
C4' | O4' | C1' | HC1 | 93.2° | 78.4° |
O4' | C4' | C3' | C2' | 16.7° | 23.8° |
O4' | C4' | C3' | O3' | 106.6° | 142.5° |
O4' | C4' | C3' | HC3 | 137.8° | 94.9° |
C3' | C4' | O4' | C1' | 8.9° | 40.3° |
C4' | C3' | C2' | C1' | 33.8° | 0.1° |
C4' | C3' | C2' | O2' | 156.3° | 118.9° |
C4' | C3' | C2' | O3' | 122.0° | 118.8° |
C4' | C3' | C2' | HC3 | 122.5° | 118.7° |
C4' | C3' | C2' | H2' | 89.5° | 118.5° |
C4' | C3' | O3' | HC3 | 122.3° | 122.5° |
C4' | C3' | O3' | HO3 | 180.0° | 178.1° |
HC4 | C4' | O4' | C1' | 110.5° | 78.3° |
HC4 | C4' | C3' | C2' | 138.9° | 94.9° |
HC4 | C4' | C3' | O3' | 15.6° | 23.9° |
HC4 | C4' | C3' | HC3 | 100.0° | 146.4° |
O4' | C1' | N9 | C2' | 112.0° | 115.5° |
O4' | C1' | N9 | HC1 | 123.6° | 122.3° |
O4' | C1' | C2' | HC1 | 123.1° | 118.8° |
O4' | C1' | N9 | C4 | 150.9° | 159.9° |
O4' | C1' | N9 | C8 | 35.4° | 20.4° |
O4' | C1' | C2' | O2' | 165.2° | 142.7° |
O4' | C1' | C2' | C3' | 40.2° | 24.0° |
O4' | C1' | C2' | H2' | 80.5° | 94.6° |
N9 | C1' | C2' | HC1 | 121.5° | 122.2° |
C1' | N9 | C4 | C8 | 174.9° | 179.8° |
C1' | N9 | C4 | N3 | 7.3° | 0.8° |
C1' | N9 | C4 | C5 | 169.7° | 179.9° |
C1' | N9 | C8 | N7 | 170.1° | 180.0° |
C1' | N9 | C8 | HC8 | 9.9° | 0.0° |
N9 | C1' | C2' | O2' | 79.4° | 98.4° |
N9 | C1' | C2' | C3' | 155.6° | 142.9° |
N9 | C1' | C2' | H2' | 34.9° | 24.3° |
C2' | C1' | N9 | C4 | 97.1° | 84.7° |
C2' | C1' | N9 | C8 | 76.7° | 95.0° |
C1' | C2' | O2' | C3' | 116.5° | 114.7° |
C1' | C2' | O2' | H2' | 123.1° | 122.7° |
C1' | C2' | C3' | H2' | 123.4° | 118.6° |
C1' | C2' | O2' | HO2 | 180.0° | 176.2° |
C1' | C2' | C3' | O3' | 88.1° | 118.7° |
C1' | C2' | C3' | HC3 | 156.3° | 118.8° |
HC1 | C1' | N9 | C4 | 27.2° | 37.5° |
HC1 | C1' | N9 | C8 | 159.0° | 142.8° |
HC1 | C1' | C2' | O2' | 42.1° | 23.9° |
HC1 | C1' | C2' | C3' | 82.9° | 94.8° |
HC1 | C1' | C2' | H2' | 156.4° | 146.6° |
N9 | C4 | N3 | C5 | 176.4° | 179.1° |
N9 | C4 | N3 | C2 | 176.3° | 179.6° |
N9 | C4 | C5 | C6 | 174.6° | 179.8° |
N9 | C4 | C5 | N7 | 4.5° | 0.4° |
C4 | N9 | C8 | N7 | 4.6° | 0.2° |
C4 | N9 | C8 | HC8 | 175.4° | 179.7° |
C8 | N9 | C4 | N3 | 177.7° | 179.5° |
C8 | N9 | C4 | C5 | 5.3° | 0.3° |
N9 | C8 | N7 | C5 | 1.8° | 0.0° |
N9 | C8 | N7 | HC8 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 1.5° | 0.3° |
C4 | N3 | C2 | HC2 | 178.5° | 179.7° |
N3 | C4 | C5 | C6 | 2.4° | 0.5° |
N3 | C4 | C5 | N7 | 178.5° | 179.7° |
C5 | C4 | N3 | C2 | 0.1° | 0.5° |
C4 | C5 | C6 | N1 | 3.3° | 0.3° |
C4 | C5 | C6 | N6 | 163.0° | 179.8° |
C4 | C5 | C6 | N7 | 178.8° | 179.8° |
C4 | C5 | N7 | C8 | 1.7° | 0.2° |
N3 | C2 | N1 | HC2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.5° | 0.1° |
C2 | N1 | C6 | N6 | 164.1° | 180.0° |
C2 | N1 | C6 | C5 | 2.1° | 0.1° |
HC2 | C2 | N1 | C6 | 179.5° | 180.0° |
N1 | C6 | N6 | C5 | 165.9° | 180.0° |
N1 | C6 | N6 | C61 | 57.2° | 0.1° |
N1 | C6 | N6 | HN6 | 177.5° | 180.0° |
N1 | C6 | C5 | N7 | 177.9° | 179.9° |
C6 | N6 | C61 | HN6 | 125.3° | 179.9° |
C6 | N6 | C61 | C62 | 81.0° | 84.9° |
C6 | N6 | C61 | C63 | 42.7° | 155.0° |
C6 | N6 | C61 | H61 | 160.8° | 35.1° |
N6 | C6 | C5 | N7 | 15.8° | 0.0° |
C5 | C6 | N6 | C61 | 108.7° | 179.9° |
C5 | C6 | N6 | HN6 | 16.6° | 0.1° |
C6 | C5 | N7 | C8 | 177.1° | 180.0° |
N6 | C61 | C62 | C63 | 124.1° | 120.0° |
N6 | C61 | C62 | H61 | 117.7° | 120.0° |
N6 | C61 | C63 | H61 | 117.7° | 119.9° |
N6 | C61 | C62 | O65 | 58.5° | 180.0° |
N6 | C61 | C62 | O66 | 121.5° | 0.0° |
N6 | C61 | C63 | C64 | 178.8° | 64.9° |
N6 | C61 | C63 | H631 | 55.9° | 55.1° |
N6 | C61 | C63 | H632 | 53.5° | 175.0° |
HN6 | N6 | C61 | C62 | 153.8° | 94.9° |
HN6 | N6 | C61 | C63 | 82.5° | 25.1° |
HN6 | N6 | C61 | H61 | 35.5° | 145.0° |
C62 | C61 | C63 | H61 | 118.3° | 120.0° |
C61 | C62 | O65 | O66 | 180.0° | 180.0° |
C62 | C61 | C63 | C64 | 57.2° | 175.0° |
C62 | C61 | C63 | H631 | 68.1° | 65.0° |
C62 | C61 | C63 | H632 | 177.6° | 54.9° |
C61 | C62 | O66 | H66 | 180.0° | 16.6° |
C63 | C61 | C62 | O65 | 177.3° | 60.0° |
C63 | C61 | C62 | O66 | 2.7° | 120.0° |
C61 | C63 | C64 | H631 | 125.2° | 120.0° |
C61 | C63 | C64 | H632 | 125.3° | 120.0° |
C61 | C63 | H631 | H632 | 116.7° | 119.9° |
C61 | C63 | C64 | O67 | 27.6° | 180.0° |
C61 | C63 | C64 | O68 | 153.2° | 0.1° |
H61 | C61 | C62 | O65 | 59.2° | 59.9° |
H61 | C61 | C62 | O66 | 120.8° | 120.1° |
H61 | C61 | C63 | C64 | 61.1° | 55.0° |
H61 | C61 | C63 | H631 | 173.6° | 175.0° |
H61 | C61 | C63 | H632 | 64.2° | 65.1° |
O65 | C62 | O66 | H66 | 0.0° | 163.4° |
C64 | C63 | H631 | H632 | 116.8° | 120.1° |
C63 | C64 | O67 | O68 | 179.2° | 179.9° |
C63 | C64 | O67 | H67 | 180.0° | 179.9° |
H631 | C63 | C64 | O67 | 152.8° | 60.0° |
H631 | C63 | C64 | O68 | 28.0° | 120.0° |
H632 | C63 | C64 | O67 | 97.7° | 60.0° |
H632 | C63 | C64 | O68 | 81.5° | 120.0° |
O68 | C64 | O67 | H67 | 0.8° | 0.0° |
C5 | N7 | C8 | HC8 | 178.2° | 179.9° |
O2' | C2' | C3' | H2' | 114.2° | 122.6° |
O2' | C2' | C3' | O3' | 34.3° | 0.1° |
O2' | C2' | C3' | HC3 | 81.2° | 122.4° |
C3' | C2' | O2' | HO2 | 63.5° | 61.4° |
C2' | C3' | O3' | HC3 | 121.0° | 122.6° |
C2' | C3' | O3' | HO3 | 63.3° | 63.3° |
H2' | C2' | O2' | HO2 | 56.9° | 61.2° |
H2' | C2' | C3' | O3' | 148.5° | 122.7° |
H2' | C2' | C3' | HC3 | 33.0° | 0.2° |
HC3 | C3' | O3' | HO3 | 57.7° | 59.4° |