L1J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.54Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.37Å | |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | doub | 1.31Å | 1.33Å | |
N7 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.44Å | |
C2 | N2 | sing | 1.37Å | 1.30Å | |
C2 | N1 | sing | 1.36Å | 1.36Å | |
C6 | N1 | sing | 1.35Å | 1.38Å | |
C6 | O6 | doub | 1.22Å | 1.23Å | |
O5' | HO5' | sing | 0.97Å | 0.95Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N2 | HN22 | sing | 0.97Å | 1.00Å | |
N2 | HN21 | sing | 0.97Å | 1.00Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 109.6° | 110.9° |
O3' | C3' | C2' | 113.1° | 110.9° |
O3' | C3' | H3' | 111.8° | 110.8° |
C3' | O3' | H1 | 109.5° | 114.0° |
C4' | C3' | C2' | 101.5° | 102.1° |
C3' | C4' | C5' | 114.2° | 110.6° |
C3' | C4' | O4' | 107.9° | 103.5° |
C3' | C4' | H4' | 108.2° | 110.8° |
C4' | C3' | H3' | 110.1° | 111.0° |
C3' | C2' | C1' | 100.6° | 104.2° |
C3' | C2' | H2'2 | 111.7° | 110.5° |
C3' | C2' | H2'1 | 111.6° | 110.6° |
C2' | C3' | H3' | 110.3° | 110.9° |
C5' | C4' | O4' | 108.5° | 110.6° |
C4' | C5' | O5' | 113.7° | 109.5° |
C4' | C5' | H5'2 | 108.4° | 109.5° |
C4' | C5' | H5'1 | 108.4° | 109.5° |
C5' | C4' | H4' | 108.2° | 110.5° |
C4' | O4' | C1' | 108.3° | 107.0° |
O4' | C4' | H4' | 109.8° | 110.6° |
C2' | C1' | O4' | 106.0° | 107.3° |
C2' | C1' | N9 | 113.3° | 109.9° |
C2' | C1' | H1' | 107.9° | 110.0° |
C1' | C2' | H2'2 | 111.7° | 110.5° |
C1' | C2' | H2'1 | 111.6° | 110.5° |
C5' | O5' | HO5' | 109.5° | 114.0° |
O5' | C5' | H5'2 | 108.4° | 109.5° |
O5' | C5' | H5'1 | 108.4° | 109.4° |
O4' | C1' | N9 | 111.5° | 109.8° |
O4' | C1' | H1' | 109.4° | 109.9° |
C1' | N9 | C8 | 127.5° | 126.3° |
C1' | N9 | C4 | 126.9° | 126.3° |
N9 | C1' | H1' | 108.6° | 109.9° |
C8 | N9 | C4 | 105.6° | 107.5° |
N9 | C8 | N7 | 114.3° | 109.8° |
N9 | C8 | H8 | 122.9° | 125.1° |
N9 | C4 | N3 | 127.7° | 134.2° |
N9 | C4 | C5 | 105.7° | 106.1° |
C8 | N7 | C5 | 103.3° | 109.3° |
N7 | C8 | H8 | 122.8° | 125.1° |
N3 | C4 | C5 | 126.7° | 119.7° |
C4 | N3 | C2 | 113.1° | 121.1° |
C4 | C5 | N7 | 111.0° | 107.3° |
C4 | C5 | C6 | 118.0° | 118.6° |
N3 | C2 | N2 | 116.3° | 119.0° |
N3 | C2 | N1 | 124.9° | 121.9° |
N7 | C5 | C6 | 131.0° | 134.1° |
C5 | C6 | N1 | 114.1° | 118.3° |
C5 | C6 | O6 | 127.9° | 120.8° |
N2 | C2 | N1 | 118.8° | 119.0° |
C2 | N2 | HN22 | 120.0° | 120.0° |
C2 | N2 | HN21 | 120.0° | 120.0° |
C2 | N1 | C6 | 123.2° | 120.3° |
C2 | N1 | HN1 | 118.4° | 119.9° |
N1 | C6 | O6 | 118.1° | 120.9° |
C6 | N1 | HN1 | 118.4° | 119.8° |
H5'2 | C5' | H5'1 | 109.5° | 109.5° |
HN22 | N2 | HN21 | 120.0° | 120.0° |
H2'2 | C2' | H2'1 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | C2' | 119.8° | 118.1° |
O3' | C3' | C4' | H3' | 123.3° | 123.7° |
O3' | C3' | C2' | H3' | 126.0° | 123.6° |
O3' | C3' | C4' | C5' | 141.0° | 86.3° |
O3' | C3' | C4' | O4' | 98.2° | 155.2° |
O3' | C3' | C2' | C1' | 82.0° | 139.1° |
O3' | C3' | C4' | H4' | 20.5° | 36.6° |
O3' | C3' | C2' | H2'2 | 159.4° | 20.4° |
O3' | C3' | C2' | H2'1 | 36.5° | 102.2° |
C4' | C3' | C2' | H3' | 116.7° | 118.2° |
C3' | C4' | C5' | O4' | 120.4° | 114.1° |
C3' | C4' | C5' | H4' | 120.5° | 123.1° |
C3' | C4' | O4' | H4' | 117.7° | 118.7° |
C4' | C3' | C2' | C1' | 35.2° | 20.9° |
C3' | C4' | C5' | O5' | 57.5° | 179.5° |
C3' | C4' | O4' | C1' | 2.7° | 40.1° |
C3' | C4' | C5' | H5'2 | 178.1° | 60.5° |
C3' | C4' | C5' | H5'1 | 63.1° | 59.5° |
C4' | C3' | C2' | H2'2 | 83.3° | 97.8° |
C4' | C3' | C2' | H2'1 | 153.8° | 139.6° |
C4' | C3' | O3' | H1 | 180.0° | 180.0° |
C2' | C3' | C4' | C5' | 99.2° | 155.5° |
C2' | C3' | C4' | O4' | 21.6° | 37.1° |
C3' | C2' | C1' | H2'2 | 118.6° | 118.7° |
C3' | C2' | C1' | H2'1 | 118.5° | 118.8° |
C3' | C2' | C1' | O4' | 39.1° | 2.0° |
C3' | C2' | C1' | N9 | 161.7° | 121.4° |
C2' | C3' | C4' | H4' | 140.3° | 81.5° |
C3' | C2' | C1' | H1' | 78.0° | 117.5° |
C3' | C2' | H2'2 | H2'1 | 124.2° | 122.7° |
C2' | C3' | O3' | H1 | 67.6° | 67.3° |
C5' | C4' | O4' | H4' | 118.1° | 122.8° |
C4' | C5' | O5' | H5'2 | 120.6° | 120.0° |
C4' | C5' | O5' | H5'1 | 120.6° | 120.0° |
C5' | C4' | O4' | C1' | 127.0° | 158.6° |
C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
C4' | C5' | H5'2 | H5'1 | 118.1° | 120.0° |
C5' | C4' | C3' | H3' | 17.7° | 37.4° |
C4' | O4' | C1' | C2' | 26.5° | 26.5° |
O4' | C4' | C5' | O5' | 62.9° | 66.5° |
C4' | O4' | C1' | N9 | 150.2° | 145.9° |
O4' | C4' | C5' | H5'2 | 57.7° | 53.6° |
O4' | C4' | C5' | H5'1 | 176.5° | 173.6° |
C4' | O4' | C1' | H1' | 89.6° | 93.1° |
O4' | C4' | C3' | H3' | 138.4° | 81.1° |
C2' | C1' | O4' | N9 | 123.7° | 119.4° |
C2' | C1' | O4' | H1' | 116.1° | 119.6° |
C2' | C1' | N9 | H1' | 119.9° | 121.2° |
C2' | C1' | N9 | C8 | 122.6° | 94.3° |
C2' | C1' | N9 | C4 | 58.0° | 85.4° |
C1' | C2' | H2'2 | H2'1 | 124.1° | 122.5° |
C1' | C2' | C3' | H3' | 151.9° | 97.3° |
O5' | C5' | H5'2 | H5'1 | 118.1° | 119.9° |
O5' | C5' | C4' | H4' | 178.0° | 56.4° |
O4' | C1' | N9 | H1' | 120.6° | 121.0° |
O4' | C1' | N9 | C8 | 117.9° | 23.6° |
O4' | C1' | N9 | C4 | 61.5° | 156.8° |
C1' | O4' | C4' | H4' | 115.0° | 78.6° |
O4' | C1' | C2' | H2'2 | 79.5° | 120.7° |
O4' | C1' | C2' | H2'1 | 157.6° | 116.7° |
C1' | N9 | C8 | C4 | 179.5° | 179.7° |
C1' | N9 | C8 | N7 | 177.0° | 180.0° |
C1' | N9 | C4 | N3 | 1.5° | 0.0° |
C1' | N9 | C4 | C5 | 176.7° | 179.9° |
C1' | N9 | C8 | H8 | 3.0° | 0.1° |
N9 | C1' | C2' | H2'2 | 43.2° | 119.9° |
N9 | C1' | C2' | H2'1 | 79.7° | 2.6° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C4 | N3 | 177.9° | 179.7° |
C8 | N9 | C4 | C5 | 3.8° | 0.4° |
N9 | C8 | N7 | C5 | 1.6° | 0.1° |
C8 | N9 | C1' | H1' | 2.7° | 144.6° |
C4 | N9 | C8 | N7 | 3.5° | 0.2° |
N9 | C4 | N3 | C5 | 177.9° | 179.8° |
N9 | C4 | N3 | C2 | 175.9° | 180.0° |
N9 | C4 | C5 | N7 | 3.1° | 0.4° |
N9 | C4 | C5 | C6 | 176.3° | 179.8° |
C4 | N9 | C1' | H1' | 177.9° | 35.8° |
C4 | N9 | C8 | H8 | 176.5° | 179.8° |
C8 | N7 | C5 | C4 | 1.0° | 0.3° |
C8 | N7 | C5 | C6 | 178.3° | 180.0° |
N3 | C4 | C5 | N7 | 178.6° | 179.7° |
N3 | C4 | C5 | C6 | 2.0° | 0.1° |
C4 | N3 | C2 | N2 | 177.5° | 180.0° |
C4 | N3 | C2 | N1 | 0.1° | 0.0° |
C5 | C4 | N3 | C2 | 2.0° | 0.1° |
C4 | C5 | N7 | C6 | 179.3° | 179.7° |
C4 | C5 | C6 | N1 | 0.3° | 0.4° |
C4 | C5 | C6 | O6 | 179.1° | 179.7° |
N3 | C2 | N2 | N1 | 177.8° | 179.9° |
N3 | C2 | N1 | C6 | 2.4° | 0.4° |
N3 | C2 | N1 | HN1 | 177.6° | 179.9° |
N3 | C2 | N2 | HN22 | 0.0° | 0.0° |
N3 | C2 | N2 | HN21 | 180.0° | 180.0° |
N7 | C5 | C6 | N1 | 179.0° | 179.2° |
N7 | C5 | C6 | O6 | 0.2° | 0.0° |
C5 | N7 | C8 | H8 | 178.4° | 179.9° |
C5 | C6 | N1 | C2 | 2.3° | 0.6° |
C5 | C6 | N1 | O6 | 178.9° | 179.3° |
C5 | C6 | N1 | HN1 | 177.7° | 179.8° |
N2 | C2 | N1 | C6 | 175.3° | 179.6° |
N2 | C2 | N1 | HN1 | 4.7° | 0.0° |
C2 | N2 | HN22 | HN21 | 180.0° | 180.0° |
C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
C2 | N1 | C6 | O6 | 178.8° | 179.9° |
N1 | C2 | N2 | HN22 | 177.8° | 180.0° |
N1 | C2 | N2 | HN21 | 2.2° | 0.0° |
O6 | C6 | N1 | HN1 | 1.2° | 0.5° |
HO5' | O5' | C5' | H5'2 | 59.4° | 60.0° |
HO5' | O5' | C5' | H5'1 | 59.4° | 60.0° |
H5'2 | C5' | C4' | H4' | 61.4° | 176.4° |
H5'1 | C5' | C4' | H4' | 57.4° | 63.6° |
H4' | C4' | C3' | H3' | 102.8° | 160.3° |
H1' | C1' | C2' | H2'2 | 163.4° | 1.2° |
H1' | C1' | C2' | H2'1 | 40.5° | 123.7° |
H2'2 | C2' | C3' | H3' | 33.4° | 144.0° |
H2'1 | C2' | C3' | H3' | 89.6° | 21.4° |
H3' | C3' | O3' | H1 | 57.7° | 56.3° |