3DG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N9 | C1' | sing | 1.46Å | 1.50Å | |
N9 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C1' | C2' | sing | 1.54Å | 1.59Å | |
C1' | O4' | sing | 1.44Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C2' | C3' | sing | 1.55Å | 1.62Å | |
C2' | O2' | sing | 1.43Å | 1.46Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
C3' | C4' | sing | 1.54Å | 1.56Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C5' | O5' | sing | 1.43Å | 1.46Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
O2' | H1 | sing | 0.97Å | 0.95Å | |
C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.38Å | |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.26Å | |
C6 | N1 | sing | 1.35Å | 1.41Å | |
N1 | C2 | sing | 1.36Å | 1.38Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.31Å | 1.33Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1' | N9 | C8 | 119.2° | 126.2° |
C1' | N9 | C4 | 128.7° | 126.3° |
N9 | C1' | C2' | 123.7° | 110.4° |
N9 | C1' | O4' | 107.4° | 110.4° |
N9 | C1' | H1' | 99.7° | 110.3° |
C8 | N9 | C4 | 112.1° | 107.4° |
N9 | C8 | N7 | 107.0° | 109.8° |
N9 | C8 | H8 | 127.2° | 125.0° |
N9 | C4 | C5 | 101.9° | 106.1° |
N9 | C4 | N3 | 129.4° | 134.2° |
C2' | C1' | O4' | 105.8° | 104.9° |
C2' | C1' | H1' | 101.5° | 110.4° |
C1' | C2' | C3' | 106.6° | 104.0° |
C1' | C2' | O2' | 108.3° | 110.8° |
C1' | C2' | H2' | 111.8° | 110.4° |
O4' | C1' | H1' | 119.7° | 110.4° |
C1' | O4' | C4' | 111.2° | 105.3° |
C3' | C2' | O2' | 108.5° | 110.5° |
C3' | C2' | H2' | 111.5° | 110.5° |
C2' | C3' | C4' | 101.5° | 104.1° |
C2' | C3' | H3'1 | 115.3° | 110.6° |
C2' | C3' | H3'2 | 115.3° | 110.4° |
O2' | C2' | H2' | 109.9° | 110.4° |
C2' | O2' | H1 | 108.3° | 106.8° |
C4' | C3' | H3'1 | 115.3° | 110.6° |
C4' | C3' | H3'2 | 115.3° | 110.5° |
C3' | C4' | O4' | 108.6° | 104.8° |
C3' | C4' | C5' | 116.1° | 110.5° |
C3' | C4' | H4' | 104.1° | 110.4° |
H3'1 | C3' | H3'2 | 95.2° | 110.6° |
O4' | C4' | C5' | 104.6° | 110.4° |
O4' | C4' | H4' | 115.7° | 110.4° |
C5' | C4' | H4' | 108.2° | 110.3° |
C4' | C5' | O5' | 105.9° | 109.5° |
C4' | C5' | H5'1 | 113.6° | 109.4° |
C4' | C5' | H5'2 | 113.6° | 109.5° |
O5' | C5' | H5'1 | 113.6° | 109.5° |
O5' | C5' | H5'2 | 113.6° | 109.5° |
C5' | O5' | H5' | 105.8° | 106.8° |
H5'1 | C5' | H5'2 | 96.9° | 109.4° |
N7 | C8 | H8 | 125.8° | 125.1° |
C8 | N7 | C5 | 105.6° | 109.3° |
N7 | C5 | C6 | 126.8° | 134.1° |
N7 | C5 | C4 | 113.3° | 107.3° |
C6 | C5 | C4 | 119.9° | 118.6° |
C5 | C6 | O6 | 125.8° | 120.9° |
C5 | C6 | N1 | 111.7° | 118.3° |
C5 | C4 | N3 | 128.7° | 119.7° |
O6 | C6 | N1 | 122.4° | 120.8° |
C6 | N1 | C2 | 124.3° | 120.3° |
C6 | N1 | HN1 | 118.9° | 119.8° |
C2 | N1 | HN1 | 116.7° | 119.9° |
N1 | C2 | N2 | 117.9° | 119.1° |
N1 | C2 | N3 | 123.8° | 121.9° |
N2 | C2 | N3 | 118.2° | 119.0° |
C2 | N2 | HN21 | 109.2° | 120.0° |
C2 | N2 | HN22 | 117.9° | 120.0° |
C2 | N3 | C4 | 111.5° | 121.1° |
HN21 | N2 | HN22 | 109.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1' | N9 | C8 | C4 | 180.0° | 180.0° |
N9 | C1' | C2' | O4' | 124.3° | 119.0° |
N9 | C1' | C2' | H1' | 110.0° | 122.1° |
N9 | C1' | O4' | H1' | 112.5° | 122.2° |
N9 | C1' | C2' | C3' | 123.2° | 142.8° |
N9 | C1' | C2' | O2' | 120.2° | 98.5° |
N9 | C1' | C2' | H2' | 1.0° | 24.2° |
N9 | C1' | O4' | C4' | 117.3° | 159.3° |
C1' | N9 | C8 | N7 | 179.5° | 180.0° |
C1' | N9 | C8 | H8 | 0.5° | 0.0° |
C1' | N9 | C4 | C5 | 178.7° | 180.0° |
C1' | N9 | C4 | N3 | 0.2° | 0.0° |
C8 | N9 | C1' | C2' | 175.4° | 93.5° |
C8 | N9 | C1' | O4' | 51.8° | 22.1° |
C8 | N9 | C1' | H1' | 73.7° | 144.3° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.6° | 0.0° |
C8 | N9 | C4 | C5 | 1.3° | 0.0° |
C8 | N9 | C4 | N3 | 179.8° | 180.0° |
C4 | N9 | C1' | C2' | 4.6° | 86.5° |
C4 | N9 | C1' | O4' | 128.2° | 157.9° |
C4 | N9 | C1' | H1' | 106.3° | 35.7° |
C4 | N9 | C8 | N7 | 0.5° | 0.0° |
C4 | N9 | C8 | H8 | 179.5° | 180.0° |
N9 | C4 | C5 | N7 | 1.8° | 0.0° |
N9 | C4 | C5 | C6 | 179.1° | 180.0° |
N9 | C4 | C5 | N3 | 178.9° | 180.0° |
N9 | C4 | N3 | C2 | 178.7° | 180.0° |
C2' | C1' | O4' | H1' | 113.6° | 118.9° |
C1' | C2' | C3' | O2' | 116.5° | 119.0° |
C1' | C2' | C3' | H2' | 122.3° | 118.5° |
C1' | C2' | O2' | H2' | 122.4° | 122.7° |
C1' | C2' | C3' | C4' | 13.0° | 0.2° |
C1' | C2' | C3' | H3'1 | 138.3° | 118.6° |
C1' | C2' | C3' | H3'2 | 112.2° | 118.8° |
C2' | C1' | O4' | C4' | 16.7° | 40.4° |
C1' | C2' | O2' | H1 | 180.0° | 176.1° |
O4' | C1' | C2' | C3' | 1.1° | 23.8° |
O4' | C1' | C2' | O2' | 115.5° | 142.6° |
O4' | C1' | C2' | H2' | 123.3° | 94.8° |
C1' | O4' | C4' | C3' | 26.4° | 40.5° |
C1' | O4' | C4' | C5' | 98.2° | 159.4° |
C1' | O4' | C4' | H4' | 142.9° | 78.4° |
H1' | C1' | C2' | C3' | 126.8° | 95.1° |
H1' | C1' | C2' | O2' | 10.2° | 23.7° |
H1' | C1' | C2' | H2' | 111.0° | 146.3° |
H1' | C1' | O4' | C4' | 130.2° | 78.5° |
C3' | C2' | O2' | H2' | 122.2° | 122.6° |
C2' | C3' | C4' | H3'1 | 125.3° | 118.8° |
C2' | C3' | C4' | H3'2 | 125.3° | 118.5° |
C2' | C3' | H3'1 | H3'2 | 121.1° | 122.6° |
C2' | C3' | C4' | O4' | 23.3° | 24.1° |
C2' | C3' | C4' | C5' | 94.2° | 143.0° |
C2' | C3' | C4' | H4' | 147.1° | 94.8° |
C3' | C2' | O2' | H1 | 64.6° | 61.4° |
O2' | C2' | C3' | C4' | 129.5° | 118.8° |
O2' | C2' | C3' | H3'1 | 105.2° | 122.5° |
O2' | C2' | C3' | H3'2 | 4.2° | 0.2° |
H2' | C2' | C3' | C4' | 109.3° | 118.7° |
H2' | C2' | C3' | H3'1 | 16.0° | 0.0° |
H2' | C2' | C3' | H3'2 | 125.5° | 122.7° |
H2' | C2' | O2' | H1 | 57.6° | 61.2° |
C4' | C3' | H3'1 | H3'2 | 121.1° | 122.7° |
C3' | C4' | O4' | C5' | 124.5° | 118.9° |
C3' | C4' | O4' | H4' | 116.6° | 118.9° |
C3' | C4' | C5' | H4' | 116.5° | 122.4° |
C3' | C4' | C5' | O5' | 177.9° | 178.1° |
C3' | C4' | C5' | H5'1 | 52.6° | 58.1° |
C3' | C4' | C5' | H5'2 | 56.9° | 61.8° |
H3'1 | C3' | C4' | O4' | 148.6° | 94.7° |
H3'1 | C3' | C4' | C5' | 31.1° | 24.2° |
H3'1 | C3' | C4' | H4' | 87.6° | 146.5° |
H3'2 | C3' | C4' | O4' | 102.0° | 142.6° |
H3'2 | C3' | C4' | C5' | 140.6° | 98.5° |
H3'2 | C3' | C4' | H4' | 21.8° | 23.7° |
O4' | C4' | C5' | H4' | 123.9° | 122.2° |
O4' | C4' | C5' | O5' | 58.2° | 66.4° |
O4' | C4' | C5' | H5'1 | 67.0° | 173.6° |
O4' | C4' | C5' | H5'2 | 176.5° | 53.6° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 119.5° | 120.0° |
C4' | C5' | O5' | H5' | 180.0° | 180.0° |
H4' | C4' | C5' | O5' | 65.6° | 55.8° |
H4' | C4' | C5' | H5'1 | 169.1° | 64.2° |
H4' | C4' | C5' | H5'2 | 59.6° | 175.8° |
O5' | C5' | H5'1 | H5'2 | 119.5° | 120.0° |
H5'1 | C5' | O5' | H5' | 54.7° | 60.0° |
H5'2 | C5' | O5' | H5' | 54.7° | 59.9° |
C8 | N7 | C5 | C6 | 179.4° | 180.0° |
C8 | N7 | C5 | C4 | 1.6° | 0.0° |
H8 | C8 | N7 | C5 | 179.4° | 180.0° |
N7 | C5 | C6 | C4 | 179.0° | 180.0° |
N7 | C5 | C6 | O6 | 1.7° | 0.1° |
N7 | C5 | C6 | N1 | 179.3° | 179.8° |
N7 | C5 | C4 | N3 | 179.3° | 180.0° |
C5 | C6 | O6 | N1 | 179.0° | 179.7° |
C5 | C6 | N1 | C2 | 0.3° | 0.6° |
C5 | C6 | N1 | HN1 | 179.7° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.0° |
C4 | C5 | C6 | O6 | 179.3° | 180.0° |
C4 | C5 | C6 | N1 | 0.3° | 0.3° |
C5 | C4 | N3 | C2 | 0.2° | 0.0° |
O6 | C6 | N1 | C2 | 179.4° | 179.7° |
O6 | C6 | N1 | HN1 | 0.6° | 0.3° |
C6 | N1 | C2 | HN1 | 180.0° | 179.5° |
C6 | N1 | C2 | N2 | 178.6° | 179.7° |
C6 | N1 | C2 | N3 | 0.3° | 0.6° |
N1 | C2 | N2 | N3 | 178.4° | 179.7° |
N1 | C2 | N2 | HN21 | 54.7° | 179.7° |
N1 | C2 | N2 | HN22 | 180.0° | 0.6° |
N1 | C2 | N3 | C4 | 0.2° | 0.3° |
HN1 | N1 | C2 | N2 | 1.3° | 0.2° |
HN1 | N1 | C2 | N3 | 179.7° | 179.9° |
C2 | N2 | HN21 | HN22 | 130.2° | 179.7° |
N2 | C2 | N3 | C4 | 178.5° | 180.0° |
N3 | C2 | N2 | HN21 | 123.7° | 0.0° |
N3 | C2 | N2 | HN22 | 1.5° | 179.7° |