ABL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1A | O1A | doub | 1.21Å | 1.26Å | |
C1A | C2A | sing | 1.50Å | 1.51Å | |
C1A | N5 | sing | 1.33Å | 1.32Å | |
C2A | O2A | sing | 1.43Å | 1.42Å | |
C2A | C3A | sing | 1.53Å | 1.53Å | |
C3A | O3A | sing | 1.43Å | 1.45Å | |
C3A | C4A | sing | 1.53Å | 1.51Å | |
C4A | O1 | sing | 1.43Å | 1.45Å | |
C4A | C5A | sing | 1.53Å | 1.54Å | |
O1 | C1 | sing | 1.43Å | 1.46Å | |
C5A | N5 | sing | 1.46Å | 1.47Å | |
C5A | C6A | sing | 1.53Å | 1.54Å | |
C6A | O6A | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.38Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.40Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C2A | H2A | sing | 1.09Å | 1.10Å | |
O2A | HO2A | sing | 0.97Å | 0.95Å | |
C3A | H3A | sing | 1.09Å | 1.10Å | |
O3A | HO3A | sing | 0.97Å | 0.95Å | |
C4A | H4A | sing | 1.09Å | 1.10Å | |
C5A | H5A | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C6A | H6 | sing | 1.09Å | 1.10Å | |
C6A | H6A | sing | 1.09Å | 1.10Å | |
O6A | HO6A | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | C1A | C2A | 121.0° | 118.3° |
O1A | C1A | N5 | 121.2° | 118.3° |
C2A | C1A | N5 | 117.7° | 123.5° |
C1A | C2A | O2A | 107.6° | 109.4° |
C1A | C2A | C3A | 116.6° | 109.9° |
C1A | C2A | H2A | 105.7° | 109.4° |
C1A | N5 | C5A | 123.1° | 124.1° |
C1A | N5 | HN5 | 118.5° | 118.0° |
O2A | C2A | C3A | 108.9° | 109.4° |
O2A | C2A | H2A | 113.9° | 109.4° |
C2A | O2A | HO2A | 109.5° | 114.0° |
C2A | C3A | O3A | 104.8° | 109.7° |
C2A | C3A | C4A | 109.3° | 108.4° |
C3A | C2A | H2A | 104.3° | 109.4° |
C2A | C3A | H3A | 112.8° | 109.7° |
O3A | C3A | C4A | 110.1° | 109.6° |
O3A | C3A | H3A | 112.1° | 109.7° |
C3A | O3A | HO3A | 109.5° | 114.0° |
C3A | C4A | O1 | 112.3° | 109.6° |
C3A | C4A | C5A | 106.2° | 108.7° |
C4A | C3A | H3A | 107.7° | 109.7° |
C3A | C4A | H4A | 108.3° | 109.6° |
O1 | C4A | C5A | 104.6° | 109.6° |
C4A | O1 | C1 | 118.3° | 114.0° |
O1 | C4A | H4A | 109.8° | 109.6° |
C4A | C5A | N5 | 111.7° | 110.4° |
C4A | C5A | C6A | 109.6° | 109.3° |
C5A | C4A | H4A | 115.6° | 109.7° |
C4A | C5A | H5A | 106.6° | 109.3° |
O1 | C1 | C2 | 111.0° | 109.5° |
O1 | C1 | O5 | 107.1° | 109.5° |
O1 | C1 | H1 | 110.2° | 109.5° |
N5 | C5A | C6A | 105.1° | 109.2° |
N5 | C5A | H5A | 111.0° | 109.5° |
C5A | N5 | HN5 | 118.5° | 117.9° |
C5A | C6A | O6A | 110.7° | 109.5° |
C6A | C5A | H5A | 113.0° | 109.1° |
C5A | C6A | H6 | 109.0° | 109.4° |
C5A | C6A | H6A | 109.0° | 109.4° |
O6A | C6A | H6 | 109.0° | 109.5° |
O6A | C6A | H6A | 109.0° | 109.5° |
C6A | O6A | HO6A | 109.5° | 114.0° |
C2 | C1 | O5 | 109.9° | 109.4° |
C1 | C2 | O2 | 110.9° | 109.5° |
C1 | C2 | C3 | 110.1° | 109.2° |
C2 | C1 | H1 | 107.4° | 109.5° |
C1 | C2 | H2 | 108.6° | 109.5° |
C1 | O5 | C5 | 117.9° | 114.1° |
O5 | C1 | H1 | 111.3° | 109.5° |
O2 | C2 | C3 | 111.2° | 109.5° |
O2 | C2 | H2 | 107.5° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 111.4° | 109.6° |
C2 | C3 | C4 | 108.4° | 109.1° |
C3 | C2 | H2 | 108.3° | 109.5° |
C2 | C3 | H3 | 109.7° | 109.6° |
O3 | C3 | C4 | 111.9° | 109.5° |
O3 | C3 | H3 | 106.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 110.7° | 109.5° |
C3 | C4 | C5 | 111.0° | 109.2° |
C4 | C3 | H3 | 109.3° | 109.6° |
C3 | C4 | H4 | 108.4° | 109.5° |
O4 | C4 | C5 | 111.6° | 109.5° |
O4 | C4 | H4 | 107.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 113.9° |
C4 | C5 | O5 | 107.8° | 109.4° |
C4 | C5 | C6 | 113.7° | 109.5° |
C5 | C4 | H4 | 107.4° | 109.6° |
C4 | C5 | H5 | 107.3° | 109.5° |
O5 | C5 | C6 | 107.8° | 109.5° |
O5 | C5 | H5 | 113.2° | 109.5° |
C5 | C6 | O6 | 113.2° | 109.5° |
C6 | C5 | H5 | 107.3° | 109.5° |
C5 | C6 | H61 | 108.2° | 109.5° |
C5 | C6 | H62 | 108.2° | 109.5° |
O6 | C6 | H61 | 108.2° | 109.5° |
O6 | C6 | H62 | 108.2° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H6 | C6A | H6A | 109.9° | 109.5° |
H61 | C6 | H62 | 110.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | C1A | C2A | N5 | 177.6° | 179.8° |
O1A | C1A | C2A | O2A | 38.7° | 42.3° |
O1A | C1A | C2A | C3A | 161.3° | 162.4° |
O1A | C1A | N5 | C5A | 163.4° | 177.5° |
O1A | C1A | C2A | H2A | 83.4° | 77.5° |
O1A | C1A | N5 | HN5 | 16.6° | 2.3° |
C1A | C2A | O2A | C3A | 127.3° | 120.4° |
C1A | C2A | O2A | H2A | 116.8° | 119.8° |
C1A | C2A | C3A | H2A | 116.1° | 120.1° |
C1A | C2A | C3A | O3A | 161.7° | 168.6° |
C1A | C2A | C3A | C4A | 43.6° | 49.0° |
C2A | C1A | N5 | C5A | 19.1° | 2.8° |
C1A | C2A | O2A | HO2A | 16.2° | 59.9° |
C1A | C2A | C3A | H3A | 76.2° | 70.9° |
C2A | C1A | N5 | HN5 | 160.9° | 177.5° |
N5 | C1A | C2A | O2A | 143.8° | 138.0° |
N5 | C1A | C2A | C3A | 21.2° | 17.9° |
C1A | N5 | C5A | C4A | 39.0° | 19.5° |
C1A | N5 | C5A | HN5 | 180.0° | 179.8° |
C1A | N5 | C5A | C6A | 157.7° | 139.7° |
N5 | C1A | C2A | H2A | 94.2° | 102.2° |
C1A | N5 | C5A | H5A | 79.8° | 100.9° |
O2A | C2A | C3A | H2A | 122.0° | 119.8° |
O2A | C2A | C3A | O3A | 76.4° | 71.3° |
O2A | C2A | C3A | C4A | 165.6° | 169.1° |
O2A | C2A | C3A | H3A | 45.8° | 49.3° |
C2A | C3A | O3A | C4A | 117.4° | 118.9° |
C2A | C3A | O3A | H3A | 122.7° | 120.5° |
C2A | C3A | C4A | H3A | 122.9° | 119.8° |
C2A | C3A | C4A | O1 | 174.3° | 172.7° |
C2A | C3A | C4A | C5A | 60.5° | 67.6° |
C3A | C2A | O2A | HO2A | 143.5° | 179.7° |
C2A | C3A | O3A | HO3A | 180.0° | 60.0° |
C2A | C3A | C4A | H4A | 64.3° | 52.3° |
O3A | C3A | C4A | H3A | 122.5° | 120.5° |
O3A | C3A | C4A | O1 | 71.1° | 53.0° |
O3A | C3A | C4A | C5A | 175.1° | 172.8° |
O3A | C3A | C2A | H2A | 45.6° | 48.5° |
O3A | C3A | C4A | H4A | 50.4° | 67.3° |
C3A | C4A | O1 | C5A | 114.8° | 119.2° |
C3A | C4A | O1 | H4A | 120.6° | 120.4° |
C3A | C4A | C5A | H4A | 120.1° | 119.9° |
C3A | C4A | O1 | C1 | 76.0° | 131.4° |
C3A | C4A | C5A | N5 | 58.4° | 51.0° |
C3A | C4A | C5A | C6A | 174.5° | 171.1° |
C4A | C3A | C2A | H2A | 72.5° | 71.2° |
C4A | C3A | O3A | HO3A | 62.6° | 178.9° |
C3A | C4A | C5A | H5A | 63.0° | 69.5° |
O1 | C4A | C5A | H4A | 120.9° | 120.4° |
O1 | C4A | C5A | N5 | 177.4° | 170.7° |
O1 | C4A | C5A | C6A | 66.5° | 69.1° |
C4A | O1 | C1 | C2 | 154.6° | 172.7° |
C4A | O1 | C1 | O5 | 85.4° | 67.3° |
O1 | C4A | C3A | H3A | 51.4° | 67.5° |
O1 | C4A | C5A | H5A | 56.1° | 50.3° |
C4A | O1 | C1 | H1 | 35.7° | 52.7° |
C5A | C4A | O1 | C1 | 169.2° | 109.4° |
C4A | C5A | N5 | C6A | 118.7° | 120.2° |
C4A | C5A | N5 | H5A | 118.8° | 120.4° |
C4A | C5A | C6A | H5A | 118.7° | 119.5° |
C4A | C5A | C6A | O6A | 58.3° | 174.9° |
C5A | C4A | C3A | H3A | 62.4° | 52.2° |
C4A | C5A | N5 | HN5 | 141.1° | 160.7° |
C4A | C5A | C6A | H6 | 178.2° | 54.9° |
C4A | C5A | C6A | H6A | 61.7° | 65.0° |
O1 | C1 | C2 | O5 | 118.3° | 120.0° |
O1 | C1 | C2 | H1 | 120.5° | 120.1° |
O1 | C1 | O5 | H1 | 120.5° | 120.0° |
O1 | C1 | C2 | O2 | 64.1° | 62.5° |
O1 | C1 | C2 | C3 | 172.4° | 177.6° |
O1 | C1 | O5 | C5 | 179.6° | 178.9° |
C1 | O1 | C4A | H4A | 44.6° | 11.1° |
O1 | C1 | C2 | H2 | 53.9° | 57.6° |
N5 | C5A | C6A | H5A | 121.2° | 119.6° |
N5 | C5A | C6A | O6A | 61.9° | 64.2° |
N5 | C5A | C4A | H4A | 61.7° | 68.9° |
N5 | C5A | C6A | H6 | 58.1° | 175.8° |
N5 | C5A | C6A | H6A | 178.2° | 55.9° |
C5A | C6A | O6A | H6 | 120.0° | 120.0° |
C5A | C6A | O6A | H6A | 120.0° | 120.0° |
C6A | C5A | C4A | H4A | 54.3° | 51.2° |
C6A | C5A | N5 | HN5 | 22.3° | 40.5° |
C5A | C6A | H6 | H6A | 119.5° | 119.9° |
C5A | C6A | O6A | HO6A | 180.0° | 180.0° |
O6A | C6A | C5A | H5A | 177.0° | 55.4° |
O6A | C6A | H6 | H6A | 119.5° | 120.1° |
C2 | C1 | O5 | H1 | 118.9° | 120.0° |
C1 | C2 | O2 | C3 | 122.9° | 119.7° |
C1 | C2 | O2 | H2 | 118.6° | 120.1° |
C1 | C2 | C3 | H2 | 118.7° | 119.9° |
C1 | C2 | C3 | O3 | 176.8° | 176.8° |
C1 | C2 | C3 | C4 | 53.3° | 57.0° |
C2 | C1 | O5 | C5 | 59.7° | 61.2° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 66.0° | 63.0° |
O5 | C1 | C2 | O2 | 177.6° | 177.5° |
O5 | C1 | C2 | C3 | 54.1° | 57.6° |
C1 | O5 | C5 | C4 | 60.6° | 61.2° |
C1 | O5 | C5 | C6 | 176.4° | 178.9° |
O5 | C1 | C2 | H2 | 64.4° | 62.3° |
C1 | O5 | C5 | H5 | 57.9° | 58.8° |
O2 | C2 | C3 | H2 | 118.0° | 120.2° |
O2 | C2 | C3 | O3 | 59.9° | 63.3° |
O2 | C2 | C3 | C4 | 176.6° | 176.9° |
O2 | C2 | C1 | H1 | 56.4° | 57.5° |
O2 | C2 | C3 | H3 | 57.3° | 56.9° |
C2 | C3 | O3 | C4 | 121.5° | 119.6° |
C2 | C3 | O3 | H3 | 119.4° | 120.2° |
C2 | C3 | C4 | H3 | 119.5° | 119.9° |
C2 | C3 | C4 | O4 | 179.8° | 176.9° |
C2 | C3 | C4 | C5 | 55.7° | 57.0° |
C3 | C2 | C1 | H1 | 67.1° | 62.4° |
C3 | C2 | O2 | HO2 | 57.1° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 61.9° | 63.0° |
O3 | C3 | C4 | H3 | 117.2° | 120.2° |
O3 | C3 | C4 | O4 | 56.5° | 63.2° |
O3 | C3 | C4 | C5 | 179.0° | 176.9° |
O3 | C3 | C2 | H2 | 58.1° | 56.9° |
O3 | C3 | C4 | H4 | 61.3° | 56.9° |
C3 | C4 | O4 | C5 | 124.1° | 119.7° |
C3 | C4 | O4 | H4 | 118.3° | 120.1° |
C3 | C4 | C5 | H4 | 118.3° | 119.9° |
C3 | C4 | C5 | O5 | 56.1° | 57.6° |
C3 | C4 | C5 | C6 | 175.5° | 177.6° |
C4 | C3 | C2 | H2 | 65.4° | 62.9° |
C4 | C3 | O3 | HO3 | 58.5° | 179.5° |
C3 | C4 | O4 | HO4 | 180.0° | 60.1° |
C3 | C4 | C5 | H5 | 66.1° | 62.4° |
O4 | C4 | C5 | H4 | 117.7° | 120.2° |
O4 | C4 | C5 | O5 | 179.9° | 177.5° |
O4 | C4 | C5 | C6 | 60.5° | 62.5° |
O4 | C4 | C3 | H3 | 60.7° | 56.9° |
O4 | C4 | C5 | H5 | 57.9° | 57.5° |
C4 | C5 | O5 | C6 | 123.1° | 120.0° |
C4 | C5 | O5 | H5 | 118.4° | 120.0° |
C4 | C5 | C6 | H5 | 118.4° | 120.0° |
C4 | C5 | C6 | O6 | 175.8° | 175.0° |
C5 | C4 | C3 | H3 | 63.8° | 63.0° |
C5 | C4 | O4 | HO4 | 55.9° | 179.7° |
C4 | C5 | C6 | H61 | 55.8° | 55.0° |
C4 | C5 | C6 | H62 | 64.2° | 65.0° |
O5 | C5 | C6 | H5 | 122.2° | 120.0° |
O5 | C5 | C6 | O6 | 64.8° | 65.0° |
C5 | O5 | C1 | H1 | 59.2° | 58.8° |
O5 | C5 | C4 | H4 | 62.2° | 62.3° |
O5 | C5 | C6 | H61 | 175.2° | 174.9° |
O5 | C5 | C6 | H62 | 55.2° | 54.9° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 57.2° | 57.7° |
C5 | C6 | H61 | H62 | 118.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O6 | C6 | C5 | H5 | 57.4° | 55.0° |
O6 | C6 | H61 | H62 | 118.4° | 120.0° |
H2A | C2A | O2A | HO2A | 100.6° | 59.9° |
H2A | C2A | C3A | H3A | 167.7° | 169.0° |
H3A | C3A | O3A | HO3A | 57.3° | 60.5° |
H3A | C3A | C4A | H4A | 172.8° | 172.1° |
H4A | C4A | C5A | H5A | 176.9° | 170.6° |
H5A | C5A | N5 | HN5 | 100.1° | 78.9° |
H5A | C5A | C6A | H6 | 63.0° | 64.6° |
H5A | C5A | C6A | H6A | 57.0° | 175.5° |
H6 | C6A | O6A | HO6A | 60.0° | 60.1° |
H6A | C6A | O6A | HO6A | 60.0° | 60.0° |
H1 | C1 | C2 | H2 | 174.4° | 177.7° |
H2 | C2 | O2 | HO2 | 61.4° | 60.1° |
H2 | C2 | C3 | H3 | 175.3° | 177.1° |
H3 | C3 | O3 | HO3 | 60.6° | 60.3° |
H3 | C3 | C4 | H4 | 178.5° | 177.1° |
H4 | C4 | O4 | HO4 | 61.7° | 60.1° |
H4 | C4 | C5 | H5 | 175.6° | 177.7° |
H5 | C5 | C6 | H61 | 62.6° | 65.0° |
H5 | C5 | C6 | H62 | 177.4° | 174.9° |
H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
H62 | C6 | O6 | HO6 | 60.0° | 60.0° |