AHZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2' | C2' | sing | 1.43Å | 1.44Å | |
O2' | H1 | sing | 0.97Å | 0.95Å | |
C2' | C3' | sing | 1.55Å | 1.54Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | H3 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.46Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.32Å | |
N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
C4 | N3 | sing | 1.33Å | 1.43Å | Aromatic |
O4' | C4' | sing | 1.44Å | 1.45Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
O5' | PA | sing | 1.61Å | 1.61Å | |
PA | O2A | doub | 1.54Å | 1.50Å | |
PA | O1A | sing | 1.55Å | 1.49Å | |
PA | O3A | sing | 1.61Å | 1.63Å | |
O3A | PB | sing | 1.61Å | 1.62Å | |
PB | O1B | doub | 1.55Å | 1.50Å | |
PB | O2B | sing | 1.55Å | 1.52Å | |
PB | O3B | sing | 1.61Å | 1.62Å | |
O3B | C7T | sing | 1.43Å | 1.45Å | |
C7T | C6T | sing | 1.53Å | 1.55Å | |
C7T | H7T1 | sing | 1.09Å | 1.12Å | |
C7T | H7T2 | sing | 1.09Å | 1.11Å | |
C6T | C5T | sing | 1.51Å | 1.52Å | |
C6T | H6T1 | sing | 1.09Å | 1.12Å | |
C6T | H6T2 | sing | 1.09Å | 1.11Å | |
C5T | S1T | sing | 1.71Å | 1.68Å | Aromatic |
C5T | C4T | doub | 1.34Å | 1.34Å | Aromatic |
S1T | C2T | sing | 1.76Å | 1.66Å | Aromatic |
C2T | C1R | sing | 1.47Å | 1.47Å | |
C2T | N3T | doub | 1.31Å | 1.26Å | Aromatic |
C1R | O1R | sing | 1.22Å | 1.27Å | |
C1R | O2R | doub | 1.22Å | 1.26Å | |
N3T | C4T | sing | 1.30Å | 1.34Å | Aromatic |
C4T | C1M | sing | 1.51Å | 1.51Å | |
C1M | H1M1 | sing | 1.09Å | 1.12Å | |
C1M | H1M2 | sing | 1.09Å | 1.12Å | |
C1M | H1M3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2' | O2' | H1 | 114.2° | 114.0° |
O2' | C2' | C3' | 114.2° | 110.9° |
O2' | C2' | C1' | 111.0° | 110.9° |
O2' | C2' | H2' | 102.5° | 110.8° |
C3' | C2' | C1' | 99.3° | 102.1° |
C3' | C2' | H2' | 113.7° | 110.9° |
C2' | C3' | O3' | 115.6° | 110.5° |
C2' | C3' | C4' | 103.6° | 104.2° |
C2' | C3' | H3' | 110.5° | 110.5° |
C1' | C2' | H2' | 116.7° | 111.0° |
C2' | C1' | N9 | 115.5° | 110.6° |
C2' | C1' | O4' | 104.2° | 103.5° |
C2' | C1' | H1' | 107.4° | 110.6° |
O3' | C3' | C4' | 112.4° | 110.5° |
O3' | C3' | H3' | 101.3° | 110.4° |
C3' | O3' | H3 | 115.7° | 114.0° |
C4' | C3' | H3' | 113.8° | 110.6° |
C3' | C4' | O4' | 106.7° | 107.3° |
C3' | C4' | C5' | 111.3° | 109.9° |
C3' | C4' | H4' | 109.6° | 109.9° |
N9 | C1' | O4' | 103.6° | 110.6° |
N9 | C1' | H1' | 107.9° | 110.6° |
C1' | N9 | C8 | 125.7° | 126.3° |
C1' | N9 | C4 | 126.6° | 126.3° |
O4' | C1' | H1' | 118.6° | 110.8° |
C1' | O4' | C4' | 106.3° | 107.0° |
C8 | N9 | C4 | 107.5° | 107.5° |
N9 | C8 | N7 | 111.9° | 110.0° |
N9 | C8 | H8 | 123.8° | 125.0° |
N9 | C4 | C5 | 106.7° | 106.0° |
N9 | C4 | N3 | 129.7° | 134.9° |
N7 | C8 | H8 | 124.3° | 125.0° |
C8 | N7 | C5 | 106.2° | 109.4° |
N7 | C5 | C6 | 136.7° | 134.7° |
N7 | C5 | C4 | 107.6° | 107.1° |
C6 | C5 | C4 | 115.7° | 118.2° |
C5 | C6 | N1 | 118.2° | 118.5° |
C5 | C6 | N6 | 119.9° | 120.8° |
C5 | C4 | N3 | 123.6° | 119.1° |
N1 | C6 | N6 | 122.0° | 120.8° |
C6 | N1 | C2 | 122.2° | 121.2° |
C6 | N6 | HN61 | 108.5° | 120.0° |
C6 | N6 | HN62 | 119.9° | 120.0° |
N1 | C2 | N3 | 127.4° | 122.4° |
N1 | C2 | H2 | 116.3° | 118.8° |
N3 | C2 | H2 | 116.3° | 118.8° |
C2 | N3 | C4 | 113.0° | 120.6° |
HN61 | N6 | HN62 | 108.5° | 120.0° |
O4' | C4' | C5' | 107.7° | 109.9° |
O4' | C4' | H4' | 113.0° | 109.9° |
C5' | C4' | H4' | 108.6° | 110.0° |
C4' | C5' | O5' | 106.8° | 109.5° |
C4' | C5' | H5'1 | 113.2° | 109.5° |
C4' | C5' | H5'2 | 113.2° | 109.5° |
O5' | C5' | H5'1 | 113.2° | 109.5° |
O5' | C5' | H5'2 | 113.2° | 109.5° |
C5' | O5' | PA | 121.1° | 123.0° |
H5'1 | C5' | H5'2 | 97.3° | 109.4° |
O5' | PA | O2A | 104.3° | 109.5° |
O5' | PA | O1A | 109.6° | 109.5° |
O5' | PA | O3A | 104.6° | 109.5° |
O2A | PA | O1A | 123.0° | 109.5° |
O2A | PA | O3A | 109.7° | 109.5° |
O1A | PA | O3A | 104.3° | 109.5° |
PA | O3A | PB | 129.5° | 134.0° |
O3A | PB | O1B | 114.9° | 109.5° |
O3A | PB | O2B | 98.3° | 109.5° |
O3A | PB | O3B | 100.8° | 109.5° |
O1B | PB | O2B | 119.7° | 109.5° |
O1B | PB | O3B | 109.7° | 109.5° |
O2B | PB | O3B | 111.5° | 109.5° |
PB | O3B | C7T | 121.9° | 123.0° |
O3B | C7T | C6T | 110.9° | 109.4° |
O3B | C7T | H7T1 | 111.7° | 109.5° |
O3B | C7T | H7T2 | 111.7° | 109.4° |
C6T | C7T | H7T1 | 111.7° | 109.5° |
C6T | C7T | H7T2 | 111.7° | 109.5° |
C7T | C6T | C5T | 106.4° | 109.4° |
C7T | C6T | H6T1 | 113.4° | 109.5° |
C7T | C6T | H6T2 | 113.4° | 109.5° |
H7T1 | C7T | H7T2 | 98.7° | 109.5° |
C5T | C6T | H6T1 | 113.4° | 109.5° |
C5T | C6T | H6T2 | 113.4° | 109.5° |
C6T | C5T | S1T | 127.4° | 125.5° |
C6T | C5T | C4T | 123.6° | 125.5° |
H6T1 | C6T | H6T2 | 97.1° | 109.5° |
S1T | C5T | C4T | 108.9° | 109.1° |
C5T | S1T | C2T | 90.5° | 90.3° |
C5T | C4T | N3T | 114.1° | 115.8° |
C5T | C4T | C1M | 124.9° | 122.1° |
S1T | C2T | C1R | 129.6° | 125.5° |
S1T | C2T | N3T | 114.0° | 108.9° |
C1R | C2T | N3T | 116.3° | 125.6° |
C2T | C1R | O1R | 111.5° | 120.0° |
C2T | C1R | O2R | 119.6° | 120.0° |
C2T | N3T | C4T | 112.5° | 116.0° |
O1R | C1R | O2R | 128.9° | 120.0° |
N3T | C4T | C1M | 121.0° | 122.1° |
C4T | C1M | H1M1 | 106.8° | 109.5° |
C4T | C1M | H1M2 | 124.9° | 109.5° |
C4T | C1M | H1M3 | 106.8° | 109.5° |
H1M1 | C1M | H1M2 | 106.7° | 109.4° |
H1M1 | C1M | H1M3 | 102.9° | 109.4° |
H1M2 | C1M | H1M3 | 106.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2' | C2' | C3' | C1' | 118.2° | 118.2° |
O2' | C2' | C3' | H2' | 117.2° | 123.6° |
O2' | C2' | C1' | H2' | 116.9° | 123.7° |
O2' | C2' | C3' | O3' | 27.7° | 20.4° |
O2' | C2' | C3' | C4' | 151.2° | 139.1° |
O2' | C2' | C3' | H3' | 86.6° | 102.1° |
O2' | C2' | C1' | N9 | 82.1° | 86.3° |
O2' | C2' | C1' | O4' | 165.0° | 155.2° |
O2' | C2' | C1' | H1' | 38.4° | 36.5° |
H1 | O2' | C2' | C3' | 180.0° | 61.4° |
H1 | O2' | C2' | C1' | 68.8° | 174.1° |
H1 | O2' | C2' | H2' | 56.5° | 62.1° |
C3' | C2' | C1' | H2' | 122.6° | 118.2° |
C2' | C3' | O3' | C4' | 118.7° | 114.8° |
C2' | C3' | O3' | H3' | 119.4° | 122.6° |
C2' | C3' | C4' | H3' | 120.0° | 118.8° |
C2' | C3' | O3' | H3 | 180.0° | 61.5° |
C3' | C2' | C1' | N9 | 157.4° | 155.5° |
C3' | C2' | C1' | O4' | 44.5° | 37.0° |
C3' | C2' | C1' | H1' | 82.1° | 81.6° |
C2' | C3' | C4' | O4' | 11.3° | 2.0° |
C2' | C3' | C4' | C5' | 105.9° | 121.4° |
C2' | C3' | C4' | H4' | 134.0° | 117.3° |
C1' | C2' | C3' | O3' | 90.4° | 97.8° |
C1' | C2' | C3' | C4' | 33.0° | 20.9° |
C1' | C2' | C3' | H3' | 155.3° | 139.7° |
C2' | C1' | N9 | O4' | 113.2° | 114.0° |
C2' | C1' | N9 | H1' | 120.2° | 122.8° |
C2' | C1' | O4' | H1' | 119.3° | 118.5° |
C2' | C1' | N9 | C8 | 55.5° | 95.0° |
C2' | C1' | N9 | C4 | 130.1° | 84.8° |
C2' | C1' | O4' | C4' | 39.3° | 40.1° |
H2' | C2' | C3' | O3' | 144.9° | 144.0° |
H2' | C2' | C3' | C4' | 91.6° | 97.4° |
H2' | C2' | C3' | H3' | 30.6° | 21.4° |
H2' | C2' | C1' | N9 | 34.8° | 37.4° |
H2' | C2' | C1' | O4' | 78.0° | 81.1° |
H2' | C2' | C1' | H1' | 155.3° | 160.2° |
O3' | C3' | C4' | H3' | 114.4° | 122.5° |
O3' | C3' | C4' | O4' | 114.2° | 120.7° |
O3' | C3' | C4' | C5' | 128.6° | 119.9° |
O3' | C3' | C4' | H4' | 8.5° | 1.3° |
C4' | C3' | O3' | H3 | 61.3° | 176.3° |
C3' | C4' | O4' | C1' | 16.9° | 26.5° |
C3' | C4' | O4' | C5' | 119.5° | 119.4° |
C3' | C4' | O4' | H4' | 120.5° | 119.4° |
C3' | C4' | C5' | H4' | 120.7° | 121.1° |
C3' | C4' | C5' | O5' | 69.2° | 175.0° |
C3' | C4' | C5' | H5'1 | 165.5° | 55.0° |
C3' | C4' | C5' | H5'2 | 56.1° | 64.9° |
H3' | C3' | O3' | H3 | 60.6° | 61.1° |
H3' | C3' | C4' | O4' | 131.3° | 116.7° |
H3' | C3' | C4' | C5' | 14.1° | 2.7° |
H3' | C3' | C4' | H4' | 106.0° | 123.9° |
N9 | C1' | O4' | H1' | 119.5° | 123.0° |
C1' | N9 | C8 | C4 | 175.3° | 179.8° |
C1' | N9 | C8 | N7 | 176.4° | 180.0° |
C1' | N9 | C8 | H8 | 3.6° | 0.0° |
C1' | N9 | C4 | C5 | 176.4° | 179.8° |
C1' | N9 | C4 | N3 | 4.5° | 0.7° |
N9 | C1' | O4' | C4' | 160.5° | 158.5° |
O4' | C1' | N9 | C8 | 57.7° | 19.0° |
O4' | C1' | N9 | C4 | 116.7° | 161.2° |
C1' | O4' | C4' | C5' | 136.4° | 146.0° |
C1' | O4' | C4' | H4' | 103.6° | 92.9° |
H1' | C1' | N9 | C8 | 175.7° | 142.2° |
H1' | C1' | N9 | C4 | 9.9° | 38.1° |
H1' | C1' | O4' | C4' | 80.0° | 78.5° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.6° | 0.0° |
C8 | N9 | C4 | C5 | 1.1° | 0.4° |
C8 | N9 | C4 | N3 | 179.7° | 179.5° |
C4 | N9 | C8 | N7 | 1.1° | 0.2° |
C4 | N9 | C8 | H8 | 178.9° | 179.8° |
N9 | C4 | C5 | N7 | 0.8° | 0.4° |
N9 | C4 | C5 | C6 | 178.9° | 179.9° |
N9 | C4 | C5 | N3 | 179.3° | 179.3° |
N9 | C4 | N3 | C2 | 179.8° | 179.6° |
C8 | N7 | C5 | C6 | 179.4° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.2° |
H8 | C8 | N7 | C5 | 179.4° | 180.0° |
N7 | C5 | C6 | C4 | 179.5° | 179.7° |
N7 | C5 | C6 | N1 | 179.5° | 180.0° |
N7 | C5 | C6 | N6 | 0.1° | 0.0° |
N7 | C5 | C4 | N3 | 180.0° | 179.7° |
C5 | C6 | N1 | N6 | 179.6° | 180.0° |
C5 | C6 | N1 | C2 | 0.4° | 0.0° |
C5 | C6 | N6 | HN61 | 54.7° | 0.0° |
C5 | C6 | N6 | HN62 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.4° | 0.6° |
C4 | C5 | C6 | N1 | 1.0° | 0.3° |
C4 | C5 | C6 | N6 | 179.4° | 179.7° |
C5 | C4 | N3 | C2 | 0.7° | 0.6° |
C6 | N1 | C2 | N3 | 0.9° | 0.0° |
C6 | N1 | C2 | H2 | 179.1° | 180.0° |
N1 | C6 | N6 | HN61 | 125.7° | 179.9° |
N1 | C6 | N6 | HN62 | 0.4° | 0.0° |
N6 | C6 | N1 | C2 | 179.9° | 180.0° |
C6 | N6 | HN61 | HN62 | 131.7° | 179.9° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 1.5° | 0.3° |
H2 | C2 | N3 | C4 | 178.6° | 179.7° |
O4' | C4' | C5' | H4' | 122.7° | 121.1° |
O4' | C4' | C5' | O5' | 174.2° | 67.2° |
O4' | C4' | C5' | H5'1 | 48.9° | 172.8° |
O4' | C4' | C5' | H5'2 | 60.6° | 52.9° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
C4' | C5' | O5' | H5'2 | 125.2° | 120.1° |
C4' | C5' | H5'1 | H5'2 | 119.1° | 120.0° |
C4' | C5' | O5' | PA | 160.6° | 180.0° |
H4' | C4' | C5' | O5' | 51.5° | 53.9° |
H4' | C4' | C5' | H5'1 | 73.8° | 66.1° |
H4' | C4' | C5' | H5'2 | 176.7° | 174.0° |
O5' | C5' | H5'1 | H5'2 | 119.1° | 120.0° |
C5' | O5' | PA | O2A | 179.8° | 55.0° |
C5' | O5' | PA | O1A | 46.8° | 65.0° |
C5' | O5' | PA | O3A | 64.6° | 175.0° |
H5'1 | C5' | O5' | PA | 74.1° | 60.0° |
H5'2 | C5' | O5' | PA | 35.4° | 59.9° |
O5' | PA | O2A | O1A | 125.3° | 120.0° |
O5' | PA | O2A | O3A | 111.6° | 120.0° |
O5' | PA | O1A | O3A | 111.5° | 120.0° |
O5' | PA | O3A | PB | 90.5° | 165.0° |
O2A | PA | O1A | O3A | 125.5° | 120.0° |
O2A | PA | O3A | PB | 20.9° | 45.0° |
O1A | PA | O3A | PB | 154.4° | 75.0° |
PA | O3A | PB | O1B | 50.6° | 40.0° |
PA | O3A | PB | O2B | 178.9° | 80.0° |
PA | O3A | PB | O3B | 67.2° | 160.0° |
O3A | PB | O1B | O2B | 116.7° | 120.0° |
O3A | PB | O1B | O3B | 112.6° | 120.0° |
O3A | PB | O2B | O3B | 105.1° | 120.0° |
O3A | PB | O3B | C7T | 54.7° | 175.0° |
O1B | PB | O2B | O3B | 129.9° | 120.0° |
O1B | PB | O3B | C7T | 176.3° | 55.0° |
O2B | PB | O3B | C7T | 48.8° | 65.0° |
PB | O3B | C7T | C6T | 165.1° | 180.0° |
PB | O3B | C7T | H7T1 | 69.6° | 60.0° |
PB | O3B | C7T | H7T2 | 39.8° | 60.1° |
O3B | C7T | C6T | H7T1 | 125.2° | 120.0° |
O3B | C7T | C6T | H7T2 | 125.3° | 119.9° |
O3B | C7T | H7T1 | H7T2 | 117.6° | 120.0° |
O3B | C7T | C6T | C5T | 171.9° | 180.0° |
O3B | C7T | C6T | H6T1 | 46.6° | 60.0° |
O3B | C7T | C6T | H6T2 | 62.9° | 60.0° |
C6T | C7T | H7T1 | H7T2 | 117.6° | 120.0° |
C7T | C6T | C5T | H6T1 | 125.2° | 120.0° |
C7T | C6T | C5T | H6T2 | 125.3° | 120.0° |
C7T | C6T | H6T1 | H6T2 | 119.3° | 120.0° |
C7T | C6T | C5T | S1T | 98.5° | 89.9° |
C7T | C6T | C5T | C4T | 77.5° | 89.7° |
H7T1 | C7T | C6T | C5T | 62.9° | 60.0° |
H7T1 | C7T | C6T | H6T1 | 171.9° | 180.0° |
H7T1 | C7T | C6T | H6T2 | 62.4° | 60.0° |
H7T2 | C7T | C6T | C5T | 46.6° | 60.1° |
H7T2 | C7T | C6T | H6T1 | 78.6° | 59.9° |
H7T2 | C7T | C6T | H6T2 | 171.9° | 180.0° |
C5T | C6T | H6T1 | H6T2 | 119.3° | 120.0° |
C6T | C5T | S1T | C4T | 176.5° | 179.7° |
C6T | C5T | S1T | C2T | 176.8° | 180.0° |
C6T | C5T | C4T | N3T | 177.9° | 179.8° |
C6T | C5T | C4T | C1M | 4.5° | 0.0° |
H6T1 | C6T | C5T | S1T | 136.2° | 150.0° |
H6T1 | C6T | C5T | C4T | 47.8° | 30.3° |
H6T2 | C6T | C5T | S1T | 26.8° | 30.0° |
H6T2 | C6T | C5T | C4T | 157.3° | 150.3° |
C5T | S1T | C2T | C1R | 179.1° | 180.0° |
C5T | S1T | C2T | N3T | 0.7° | 0.0° |
S1T | C5T | C4T | N3T | 1.3° | 0.5° |
S1T | C5T | C4T | C1M | 178.9° | 179.7° |
C4T | C5T | S1T | C2T | 0.3° | 0.3° |
C5T | C4T | N3T | C2T | 1.9° | 0.5° |
C5T | C4T | N3T | C1M | 177.7° | 179.8° |
C5T | C4T | C1M | H1M1 | 54.8° | 90.0° |
C5T | C4T | C1M | H1M2 | 180.0° | 150.0° |
C5T | C4T | C1M | H1M3 | 54.7° | 30.0° |
S1T | C2T | C1R | N3T | 178.3° | 179.9° |
S1T | C2T | C1R | O1R | 170.0° | 0.0° |
S1T | C2T | C1R | O2R | 12.1° | 180.0° |
S1T | C2T | N3T | C4T | 1.6° | 0.2° |
C2T | C1R | O1R | O2R | 177.7° | 180.0° |
C1R | C2T | N3T | C4T | 179.8° | 179.7° |
N3T | C2T | C1R | O1R | 8.3° | 180.0° |
N3T | C2T | C1R | O2R | 169.7° | 0.1° |
C2T | N3T | C4T | C1M | 179.6° | 179.7° |
N3T | C4T | C1M | H1M1 | 127.7° | 89.8° |
N3T | C4T | C1M | H1M2 | 2.5° | 30.2° |
N3T | C4T | C1M | H1M3 | 122.7° | 150.2° |
C4T | C1M | H1M1 | H1M2 | 135.6° | 120.0° |
C4T | C1M | H1M1 | H1M3 | 112.2° | 120.0° |
C4T | C1M | H1M2 | H1M3 | 125.3° | 120.1° |
H1M1 | C1M | H1M2 | H1M3 | 109.5° | 119.9° |