AS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | sing | 1.61Å | 1.48Å | |
P | S2P | doub | 1.86Å | 2.13Å | |
P | OP3 | sing | 1.61Å | 1.62Å | |
P | O5' | sing | 1.61Å | 1.62Å | |
OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5' | sing | 1.09Å | 1.09Å | |
C5' | H5'' | sing | 1.09Å | 1.09Å | |
C4' | O4' | sing | 1.45Å | 1.42Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.09Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.09Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.09Å | |
C2' | H2'' | sing | 1.09Å | 1.09Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.09Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.01Å | |
N6 | HN62 | sing | 0.97Å | 1.01Å | |
N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | S2P | 120.3° | 109.4° |
OP1 | P | OP3 | 107.8° | 109.4° |
OP1 | P | O5' | 108.0° | 109.5° |
P | OP1 | HOP1 | 120.3° | 106.8° |
S2P | P | OP3 | 107.5° | 109.5° |
S2P | P | O5' | 106.4° | 109.5° |
OP3 | P | O5' | 105.9° | 109.5° |
P | OP3 | HOP3 | 107.9° | 106.8° |
P | O5' | C5' | 123.0° | 106.8° |
O5' | C5' | C4' | 109.2° | 109.5° |
O5' | C5' | H5' | 110.0° | 109.5° |
O5' | C5' | H5'' | 110.2° | 109.5° |
C4' | C5' | H5' | 109.2° | 109.4° |
C4' | C5' | H5'' | 109.1° | 109.4° |
C5' | C4' | O4' | 109.1° | 110.8° |
C5' | C4' | C3' | 112.8° | 110.7° |
C5' | C4' | H4' | 110.4° | 110.6° |
H5' | C5' | H5'' | 109.1° | 109.4° |
O4' | C4' | C3' | 106.1° | 103.6° |
O4' | C4' | H4' | 108.9° | 110.5° |
C4' | O4' | C1' | 108.6° | 106.8° |
C3' | C4' | H4' | 109.4° | 110.6° |
C4' | C3' | O3' | 112.7° | 110.9° |
C4' | C3' | C2' | 103.1° | 102.1° |
C4' | C3' | H3' | 109.1° | 110.9° |
O4' | C1' | C2' | 106.8° | 107.5° |
O4' | C1' | N9 | 111.4° | 109.8° |
O4' | C1' | H1' | 109.1° | 109.9° |
O3' | C3' | C2' | 111.9° | 110.9° |
O3' | C3' | H3' | 110.9° | 110.8° |
C3' | O3' | HO3' | 112.6° | 106.7° |
C2' | C3' | H3' | 108.9° | 111.0° |
C3' | C2' | C1' | 105.7° | 104.2° |
C3' | C2' | H2' | 108.0° | 110.5° |
C3' | C2' | H2'' | 113.1° | 110.4° |
C1' | C2' | H2' | 111.4° | 110.5° |
C1' | C2' | H2'' | 107.9° | 110.5° |
C2' | C1' | N9 | 108.3° | 109.9° |
C2' | C1' | H1' | 110.0° | 109.8° |
H2' | C2' | H2'' | 110.6° | 110.5° |
N9 | C1' | H1' | 111.2° | 109.9° |
C1' | N9 | C8 | 128.6° | 126.3° |
C1' | N9 | C4 | 125.6° | 126.3° |
C8 | N9 | C4 | 105.1° | 107.4° |
N9 | C8 | N7 | 114.3° | 110.0° |
N9 | C8 | H8 | 123.3° | 125.0° |
N9 | C4 | C5 | 106.2° | 106.0° |
N9 | C4 | N3 | 127.0° | 134.9° |
N7 | C8 | H8 | 122.3° | 125.0° |
C8 | N7 | C5 | 103.5° | 109.5° |
N7 | C5 | C6 | 132.9° | 134.7° |
N7 | C5 | C4 | 110.7° | 107.1° |
C6 | C5 | C4 | 116.3° | 118.2° |
C5 | C6 | N6 | 122.9° | 120.8° |
C5 | C6 | N1 | 118.3° | 118.4° |
C5 | C4 | N3 | 126.8° | 119.1° |
N6 | C6 | N1 | 118.9° | 120.8° |
C6 | N6 | HN61 | 119.4° | 120.0° |
C6 | N6 | HN62 | 120.0° | 120.0° |
C6 | N1 | C2 | 119.3° | 121.2° |
HN61 | N6 | HN62 | 120.6° | 120.0° |
N1 | C2 | N3 | 128.3° | 122.5° |
N1 | C2 | H2 | 115.7° | 118.7° |
N3 | C2 | H2 | 116.0° | 118.8° |
C2 | N3 | C4 | 111.1° | 120.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | S2P | OP3 | 123.9° | 119.9° |
OP1 | P | S2P | O5' | 123.1° | 120.0° |
OP1 | P | OP3 | O5' | 115.4° | 120.1° |
OP1 | P | OP3 | HOP3 | 180.0° | 60.1° |
OP1 | P | O5' | C5' | 36.1° | 180.0° |
S2P | P | OP3 | O5' | 113.4° | 120.0° |
S2P | P | OP1 | HOP1 | 180.0° | 60.0° |
S2P | P | OP3 | HOP3 | 48.8° | 180.0° |
S2P | P | O5' | C5' | 166.6° | 60.0° |
OP3 | P | OP1 | HOP1 | 56.3° | 60.0° |
OP3 | P | O5' | C5' | 79.2° | 60.0° |
O5' | P | OP1 | HOP1 | 57.7° | 180.0° |
O5' | P | OP3 | HOP3 | 64.6° | 60.0° |
P | O5' | C5' | C4' | 178.3° | 180.0° |
P | O5' | C5' | H5' | 58.4° | 60.0° |
P | O5' | C5' | H5'' | 61.9° | 60.0° |
O5' | C5' | C4' | H5' | 120.3° | 120.0° |
O5' | C5' | C4' | H5'' | 120.5° | 120.1° |
O5' | C5' | H5' | H5'' | 121.0° | 120.1° |
O5' | C5' | C4' | O4' | 53.8° | 65.7° |
O5' | C5' | C4' | C3' | 63.9° | 180.0° |
O5' | C5' | C4' | H4' | 173.4° | 57.1° |
C4' | C5' | H5' | H5'' | 119.2° | 119.9° |
C5' | C4' | O4' | C3' | 121.8° | 118.7° |
C5' | C4' | O4' | H4' | 120.5° | 122.9° |
C5' | C4' | C3' | H4' | 123.3° | 122.9° |
C5' | C4' | O4' | C1' | 154.5° | 158.5° |
C5' | C4' | C3' | O3' | 94.7° | 86.1° |
C5' | C4' | C3' | C2' | 144.6° | 155.7° |
C5' | C4' | C3' | H3' | 29.0° | 37.5° |
H5' | C5' | C4' | O4' | 66.5° | 174.3° |
H5' | C5' | C4' | C3' | 175.8° | 60.0° |
H5' | C5' | C4' | H4' | 53.1° | 62.9° |
H5'' | C5' | C4' | O4' | 174.3° | 54.4° |
H5'' | C5' | C4' | C3' | 56.6° | 59.9° |
H5'' | C5' | C4' | H4' | 66.1° | 177.2° |
O4' | C4' | C3' | H4' | 117.3° | 118.3° |
O4' | C4' | C3' | O3' | 145.9° | 155.1° |
O4' | C4' | C3' | C2' | 25.2° | 36.9° |
O4' | C4' | C3' | H3' | 90.4° | 81.3° |
C4' | O4' | C1' | C2' | 26.3° | 26.3° |
C4' | O4' | C1' | N9 | 144.4° | 145.8° |
C4' | O4' | C1' | H1' | 92.4° | 93.2° |
C3' | C4' | O4' | C1' | 32.7° | 39.8° |
C4' | C3' | O3' | C2' | 115.6° | 112.7° |
C4' | C3' | O3' | H3' | 122.6° | 123.6° |
C4' | C3' | C2' | H3' | 115.7° | 118.2° |
C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
C4' | C3' | C2' | C1' | 9.4° | 20.9° |
C4' | C3' | C2' | H2' | 128.8° | 97.8° |
C4' | C3' | C2' | H2'' | 108.4° | 139.6° |
H4' | C4' | O4' | C1' | 84.9° | 78.6° |
H4' | C4' | C3' | O3' | 28.6° | 36.8° |
H4' | C4' | C3' | C2' | 92.2° | 81.4° |
H4' | C4' | C3' | H3' | 152.3° | 160.3° |
O4' | C1' | C2' | C3' | 9.3° | 1.9° |
O4' | C1' | C2' | N9 | 120.1° | 119.5° |
O4' | C1' | C2' | H1' | 118.2° | 119.5° |
O4' | C1' | C2' | H2' | 107.8° | 120.7° |
O4' | C1' | C2' | H2'' | 130.6° | 116.7° |
O4' | C1' | N9 | H1' | 121.9° | 121.0° |
O4' | C1' | N9 | C8 | 31.5° | 28.3° |
O4' | C1' | N9 | C4 | 159.7° | 151.7° |
O3' | C3' | C2' | H3' | 123.0° | 123.6° |
O3' | C3' | C2' | C1' | 130.7° | 139.1° |
O3' | C3' | C2' | H2' | 109.9° | 20.4° |
O3' | C3' | C2' | H2'' | 12.9° | 102.2° |
C2' | C3' | O3' | HO3' | 64.4° | 61.5° |
C3' | C2' | C1' | H2' | 117.1° | 118.8° |
C3' | C2' | C1' | H2'' | 121.3° | 118.6° |
C3' | C2' | H2' | H2'' | 124.2° | 122.6° |
C3' | C2' | C1' | N9 | 129.3° | 121.4° |
C3' | C2' | C1' | H1' | 108.9° | 117.6° |
H3' | C3' | O3' | HO3' | 57.4° | 62.2° |
H3' | C3' | C2' | C1' | 106.3° | 97.3° |
H3' | C3' | C2' | H2' | 13.1° | 144.0° |
H3' | C3' | C2' | H2'' | 135.8° | 21.3° |
C1' | C2' | H2' | H2'' | 120.0° | 122.6° |
C2' | C1' | N9 | H1' | 121.0° | 121.0° |
C2' | C1' | N9 | C8 | 85.6° | 89.7° |
C2' | C1' | N9 | C4 | 83.2° | 90.3° |
H2' | C2' | C1' | N9 | 12.3° | 119.8° |
H2' | C2' | C1' | H1' | 134.0° | 1.2° |
H2'' | C2' | C1' | N9 | 109.4° | 2.8° |
H2'' | C2' | C1' | H1' | 12.4° | 123.8° |
C1' | N9 | C8 | C4 | 170.6° | 180.0° |
C1' | N9 | C8 | N7 | 174.0° | 180.0° |
C1' | N9 | C8 | H8 | 5.0° | 0.1° |
C1' | N9 | C4 | C5 | 175.0° | 179.8° |
C1' | N9 | C4 | N3 | 4.8° | 0.1° |
H1' | C1' | N9 | C8 | 153.4° | 149.3° |
H1' | C1' | N9 | C4 | 37.8° | 30.7° |
N9 | C8 | N7 | H8 | 179.0° | 179.9° |
N9 | C8 | N7 | C5 | 1.2° | 0.2° |
C8 | N9 | C4 | C5 | 4.0° | 0.2° |
C8 | N9 | C4 | N3 | 175.8° | 180.0° |
C4 | N9 | C8 | N7 | 3.4° | 0.0° |
C4 | N9 | C8 | H8 | 175.6° | 179.9° |
N9 | C4 | C5 | N7 | 3.6° | 0.4° |
N9 | C4 | C5 | C6 | 178.4° | 179.7° |
N9 | C4 | C5 | N3 | 179.8° | 179.9° |
N9 | C4 | N3 | C2 | 178.7° | 180.0° |
C8 | N7 | C5 | C6 | 179.1° | 179.5° |
C8 | N7 | C5 | C4 | 1.5° | 0.4° |
H8 | C8 | N7 | C5 | 177.8° | 179.8° |
N7 | C5 | C6 | C4 | 177.5° | 179.1° |
N7 | C5 | C6 | N6 | 2.8° | 0.7° |
N7 | C5 | C6 | N1 | 176.8° | 179.6° |
N7 | C5 | C4 | N3 | 176.3° | 179.8° |
C5 | C6 | N6 | N1 | 179.6° | 179.7° |
C5 | C6 | N6 | HN61 | 0.5° | 179.7° |
C5 | C6 | N6 | HN62 | 178.3° | 0.5° |
C5 | C6 | N1 | C2 | 0.6° | 0.3° |
C6 | C5 | C4 | N3 | 1.8° | 0.5° |
C4 | C5 | C6 | N6 | 179.7° | 179.8° |
C4 | C5 | C6 | N1 | 0.6° | 0.5° |
C5 | C4 | N3 | C2 | 1.5° | 0.2° |
C6 | N6 | HN61 | HN62 | 178.7° | 179.8° |
N6 | C6 | N1 | C2 | 179.1° | 180.0° |
N1 | C6 | N6 | HN61 | 179.2° | 0.0° |
N1 | C6 | N6 | HN62 | 2.1° | 179.8° |
C6 | N1 | C2 | N3 | 0.9° | 0.1° |
C6 | N1 | C2 | H2 | 179.5° | 180.0° |
N1 | C2 | N3 | H2 | 179.6° | 179.9° |
N1 | C2 | N3 | C4 | 0.1° | 0.1° |
H2 | C2 | N3 | C4 | 179.5° | 180.0° |