2DI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.56Å | |
C4 | N3 | sing | 1.34Å | 1.36Å | |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | doub | 1.30Å | 1.32Å | |
C2 | N1 | sing | 1.36Å | 1.37Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N1 | C6 | sing | 1.35Å | 1.39Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C6 | O6 | doub | 1.22Å | 1.25Å | |
C6 | C5 | sing | 1.42Å | 1.41Å | |
C5 | N7 | sing | 1.35Å | 1.37Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C5' | O5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.56Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | C3' | sing | 1.55Å | 1.58Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C3' | H3'1 | sing | 1.09Å | 1.10Å | |
C3' | H3'2 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | N9 | C8 | 112.3° | 107.5° |
C4 | N9 | C1' | 126.6° | 126.3° |
N9 | C4 | N3 | 129.6° | 134.2° |
N9 | C4 | C5 | 102.5° | 106.1° |
C8 | N9 | C1' | 121.1° | 126.3° |
N9 | C8 | N7 | 107.0° | 109.8° |
N9 | C8 | H8 | 126.5° | 125.1° |
N9 | C1' | O4' | 109.4° | 109.9° |
N9 | C1' | C2' | 115.8° | 109.8° |
N9 | C1' | H1' | 108.9° | 109.9° |
N3 | C4 | C5 | 127.9° | 119.6° |
C4 | N3 | C2 | 112.1° | 121.2° |
C4 | C5 | C6 | 119.3° | 118.4° |
C4 | C5 | N7 | 111.5° | 107.3° |
N3 | C2 | N1 | 123.7° | 122.2° |
N3 | C2 | H2 | 118.1° | 119.0° |
N1 | C2 | H2 | 118.2° | 118.9° |
C2 | N1 | C6 | 125.6° | 120.4° |
C2 | N1 | HN1 | 117.2° | 119.7° |
C6 | N1 | HN1 | 117.2° | 119.9° |
N1 | C6 | O6 | 120.0° | 120.9° |
N1 | C6 | C5 | 111.5° | 118.2° |
O6 | C6 | C5 | 128.5° | 121.0° |
C6 | C5 | N7 | 129.3° | 134.3° |
C5 | N7 | C8 | 106.7° | 109.3° |
N7 | C8 | H8 | 126.5° | 125.1° |
O5' | C5' | C4' | 106.0° | 109.5° |
O5' | C5' | H5'1 | 110.3° | 109.5° |
O5' | C5' | H5'2 | 110.3° | 109.5° |
C5' | O5' | H5' | 109.5° | 114.0° |
C4' | C5' | H5'1 | 110.3° | 109.5° |
C4' | C5' | H5'2 | 110.3° | 109.5° |
C5' | C4' | O4' | 106.1° | 110.6° |
C5' | C4' | C3' | 114.3° | 110.6° |
C5' | C4' | H4' | 109.0° | 110.5° |
H5'1 | C5' | H5'2 | 109.5° | 109.4° |
O4' | C4' | C3' | 108.4° | 103.5° |
O4' | C4' | H4' | 109.9° | 110.6° |
C4' | O4' | C1' | 113.7° | 107.0° |
C3' | C4' | H4' | 109.0° | 110.7° |
C4' | C3' | C2' | 104.4° | 102.1° |
C4' | C3' | H3'1 | 110.7° | 110.9° |
C4' | C3' | H3'2 | 110.7° | 110.9° |
O4' | C1' | C2' | 103.9° | 107.3° |
O4' | C1' | H1' | 109.9° | 109.8° |
C2' | C1' | H1' | 108.9° | 110.0° |
C1' | C2' | C3' | 108.8° | 104.2° |
C1' | C2' | H2'1 | 109.6° | 110.5° |
C1' | C2' | H2'2 | 109.6° | 110.5° |
C3' | C2' | H2'1 | 109.7° | 110.4° |
C3' | C2' | H2'2 | 109.7° | 110.5° |
C2' | C3' | H3'1 | 110.7° | 110.8° |
C2' | C3' | H3'2 | 110.7° | 110.9° |
H2'1 | C2' | H2'2 | 109.5° | 110.5° |
H3'1 | C3' | H3'2 | 109.4° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | N9 | C8 | C1' | 178.9° | 179.7° |
N9 | C4 | N3 | C5 | 179.5° | 180.0° |
N9 | C4 | N3 | C2 | 179.4° | 180.0° |
N9 | C4 | C5 | C6 | 179.2° | 180.0° |
N9 | C4 | C5 | N7 | 0.4° | 0.0° |
C4 | N9 | C8 | N7 | 0.0° | 0.0° |
C4 | N9 | C8 | H8 | 180.0° | 180.0° |
C4 | N9 | C1' | O4' | 150.7° | 156.4° |
C4 | N9 | C1' | C2' | 33.8° | 85.8° |
C4 | N9 | C1' | H1' | 89.2° | 35.4° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C8 | N9 | C4 | C5 | 0.3° | 0.0° |
N9 | C8 | N7 | C5 | 0.3° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C1' | O4' | 28.0° | 23.2° |
C8 | N9 | C1' | C2' | 144.9° | 94.6° |
C8 | N9 | C1' | H1' | 92.0° | 144.2° |
C1' | N9 | C4 | N3 | 1.1° | 0.3° |
C1' | N9 | C4 | C5 | 178.5° | 179.7° |
C1' | N9 | C8 | N7 | 178.9° | 179.7° |
C1' | N9 | C8 | H8 | 1.1° | 0.3° |
N9 | C1' | O4' | C4' | 117.7° | 145.9° |
N9 | C1' | O4' | C2' | 124.2° | 119.4° |
N9 | C1' | O4' | H1' | 119.5° | 121.0° |
N9 | C1' | C2' | H1' | 123.0° | 121.1° |
N9 | C1' | C2' | C3' | 118.9° | 121.5° |
N9 | C1' | C2' | H2'1 | 121.2° | 119.9° |
N9 | C1' | C2' | H2'2 | 1.0° | 2.8° |
C4 | N3 | C2 | N1 | 0.2° | 0.1° |
C4 | N3 | C2 | H2 | 179.8° | 180.0° |
N3 | C4 | C5 | C6 | 0.4° | 0.0° |
N3 | C4 | C5 | N7 | 179.9° | 180.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
C4 | C5 | C6 | N1 | 0.4° | 0.1° |
C4 | C5 | C6 | O6 | 179.3° | 180.0° |
C4 | C5 | C6 | N7 | 179.6° | 180.0° |
C4 | C5 | N7 | C8 | 0.5° | 0.0° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.3° | 0.0° |
N3 | C2 | N1 | HN1 | 179.8° | 179.9° |
C2 | N1 | C6 | HN1 | 180.0° | 179.9° |
C2 | N1 | C6 | O6 | 179.6° | 180.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
H2 | C2 | N1 | C6 | 179.7° | 180.0° |
H2 | C2 | N1 | HN1 | 0.2° | 0.1° |
N1 | C6 | O6 | C5 | 179.6° | 179.9° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
HN1 | N1 | C6 | O6 | 0.4° | 0.1° |
HN1 | N1 | C6 | C5 | 179.9° | 180.0° |
O6 | C6 | C5 | N7 | 0.3° | 0.0° |
C6 | C5 | N7 | C8 | 179.1° | 180.0° |
C5 | N7 | C8 | H8 | 179.7° | 180.0° |
O5' | C5' | C4' | H5'1 | 119.5° | 120.0° |
O5' | C5' | C4' | H5'2 | 119.5° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 121.6° | 120.0° |
O5' | C5' | C4' | O4' | 60.9° | 66.4° |
O5' | C5' | C4' | C3' | 179.6° | 179.5° |
O5' | C5' | C4' | H4' | 57.4° | 56.4° |
C4' | C5' | H5'1 | H5'2 | 121.6° | 120.0° |
C4' | C5' | O5' | H5' | 180.0° | 180.0° |
C5' | C4' | O4' | C3' | 123.2° | 118.5° |
C5' | C4' | O4' | H4' | 117.8° | 122.8° |
C5' | C4' | C3' | H4' | 122.3° | 122.9° |
C5' | C4' | O4' | C1' | 113.7° | 158.6° |
C5' | C4' | C3' | C2' | 110.1° | 155.5° |
C5' | C4' | C3' | H3'1 | 9.1° | 37.4° |
C5' | C4' | C3' | H3'2 | 130.7° | 86.2° |
H5'1 | C5' | O5' | H5' | 60.5° | 60.0° |
H5'1 | C5' | C4' | O4' | 58.6° | 53.6° |
H5'1 | C5' | C4' | C3' | 60.9° | 60.5° |
H5'1 | C5' | C4' | H4' | 176.9° | 176.4° |
H5'2 | C5' | O5' | H5' | 60.5° | 59.9° |
H5'2 | C5' | C4' | O4' | 179.6° | 173.5° |
H5'2 | C5' | C4' | C3' | 60.2° | 59.4° |
H5'2 | C5' | C4' | H4' | 62.1° | 63.6° |
O4' | C4' | C3' | H4' | 119.6° | 118.6° |
C4' | O4' | C1' | C2' | 6.5° | 26.5° |
C4' | O4' | C1' | H1' | 122.9° | 93.1° |
O4' | C4' | C3' | C2' | 8.1° | 37.0° |
O4' | C4' | C3' | H3'1 | 127.3° | 81.1° |
O4' | C4' | C3' | H3'2 | 111.1° | 155.2° |
C3' | C4' | O4' | C1' | 9.6° | 40.0° |
C4' | C3' | C2' | C1' | 4.3° | 20.8° |
C4' | C3' | C2' | H3'1 | 119.2° | 118.1° |
C4' | C3' | C2' | H3'2 | 119.2° | 118.2° |
C4' | C3' | C2' | H2'1 | 124.1° | 97.8° |
C4' | C3' | C2' | H2'2 | 115.6° | 139.6° |
C4' | C3' | H3'1 | H3'2 | 122.3° | 123.7° |
H4' | C4' | O4' | C1' | 128.6° | 78.6° |
H4' | C4' | C3' | C2' | 127.7° | 81.6° |
H4' | C4' | C3' | H3'1 | 113.1° | 160.3° |
H4' | C4' | C3' | H3'2 | 8.5° | 36.6° |
O4' | C1' | C2' | H1' | 117.1° | 119.5° |
O4' | C1' | C2' | C3' | 1.0° | 2.1° |
O4' | C1' | C2' | H2'1 | 118.9° | 120.7° |
O4' | C1' | C2' | H2'2 | 120.9° | 116.7° |
C1' | C2' | C3' | H2'1 | 119.9° | 118.7° |
C1' | C2' | C3' | H2'2 | 119.9° | 118.7° |
C1' | C2' | H2'1 | H2'2 | 120.3° | 122.6° |
C1' | C2' | C3' | H3'1 | 123.5° | 97.3° |
C1' | C2' | C3' | H3'2 | 115.0° | 139.0° |
H1' | C1' | C2' | C3' | 118.1° | 117.4° |
H1' | C1' | C2' | H2'1 | 1.8° | 1.2° |
H1' | C1' | C2' | H2'2 | 122.0° | 123.9° |
C3' | C2' | H2'1 | H2'2 | 120.3° | 122.6° |
C2' | C3' | H3'1 | H3'2 | 122.3° | 123.7° |
H2'1 | C2' | C3' | H3'1 | 116.7° | 144.1° |
H2'1 | C2' | C3' | H3'2 | 4.9° | 20.4° |
H2'2 | C2' | C3' | H3'1 | 3.6° | 21.4° |
H2'2 | C2' | C3' | H3'2 | 125.2° | 102.2° |