NYZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C2 | doub | 1.22Å | 1.24Å | |
C2 | N1 | sing | 1.33Å | 1.37Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N1 | C6 | doub | 1.33Å | 1.34Å | |
N3 | C4 | sing | 1.37Å | 1.37Å | |
O2' | C2' | sing | 1.43Å | 1.42Å | |
C6 | N6 | sing | 1.37Å | 1.34Å | |
C6 | C5 | sing | 1.42Å | 1.42Å | |
C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
C4 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
C2' | C1' | sing | 1.55Å | 1.54Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
C1' | N9 | sing | 1.47Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
O4' | C4' | sing | 1.44Å | 1.44Å | |
N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.43Å | 1.45Å | |
O5' | PA | sing | 1.61Å | 1.57Å | |
O2A | PA | doub | 1.48Å | 1.56Å | |
PA | O1A | sing | 1.61Å | 1.52Å | |
PA | C3A | sing | 1.82Å | 1.79Å | |
C3A | PB | sing | 1.82Å | 1.79Å | |
O1B | PB | doub | 1.48Å | 1.49Å | |
O2B | PB | sing | 1.61Å | 1.54Å | |
PB | O3B | sing | 1.61Å | 1.54Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
O2B | H1 | sing | 0.97Å | 0.95Å | |
O3B | H2 | sing | 0.97Å | 0.95Å | |
O1A | H4 | sing | 0.97Å | 0.95Å | |
C3A | H3A2 | sing | 1.09Å | 1.10Å | |
C3A | H3A1 | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N6 | H61 | sing | 0.97Å | 1.00Å | |
N6 | H62 | sing | 0.97Å | 1.00Å | |
N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C2 | N1 | 121.8° | 119.1° |
O | C2 | N3 | 118.4° | 119.1° |
N1 | C2 | N3 | 119.8° | 121.8° |
C2 | N1 | C6 | 120.5° | 121.5° |
C2 | N3 | C4 | 121.3° | 119.9° |
C2 | N3 | H3 | 119.4° | 120.1° |
N1 | C6 | N6 | 117.3° | 120.3° |
N1 | C6 | C5 | 120.5° | 119.3° |
N3 | C4 | C5 | 119.5° | 119.0° |
N3 | C4 | N9 | 134.0° | 134.5° |
C4 | N3 | H3 | 119.3° | 120.0° |
O2' | C2' | C1' | 109.4° | 110.9° |
O2' | C2' | C3' | 113.1° | 110.9° |
O2' | C2' | H2' | 111.4° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
N6 | C6 | C5 | 122.2° | 120.3° |
C6 | N6 | H61 | 120.0° | 120.0° |
C6 | N6 | H62 | 120.0° | 120.0° |
C6 | C5 | C4 | 118.4° | 118.5° |
C6 | C5 | N7 | 132.0° | 134.3° |
C5 | C4 | N9 | 106.5° | 106.4° |
C4 | C5 | N7 | 109.6° | 107.2° |
C4 | N9 | C1' | 125.8° | 126.3° |
C4 | N9 | C8 | 106.2° | 107.5° |
C1' | C2' | C3' | 103.0° | 102.0° |
C2' | C1' | N9 | 114.3° | 110.6° |
C2' | C1' | O4' | 107.8° | 103.5° |
C1' | C2' | H2' | 109.8° | 111.0° |
C2' | C1' | H1' | 107.7° | 110.6° |
C2' | C3' | O3' | 113.7° | 110.6° |
C2' | C3' | C4' | 102.4° | 104.2° |
C2' | C3' | H3' | 109.1° | 110.5° |
C3' | C2' | H2' | 109.9° | 110.9° |
C5 | N7 | C8 | 104.8° | 109.2° |
N9 | C1' | O4' | 109.4° | 110.7° |
C1' | N9 | C8 | 127.9° | 126.2° |
N9 | C1' | H1' | 108.4° | 110.5° |
C1' | O4' | C4' | 109.1° | 106.9° |
O4' | C1' | H1' | 109.2° | 110.7° |
N9 | C8 | N7 | 112.9° | 109.6° |
N9 | C8 | H8 | 123.6° | 125.2° |
O3' | C3' | C4' | 111.5° | 110.5° |
O3' | C3' | H3' | 110.6° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 104.2° | 107.5° |
C3' | C4' | C5' | 114.2° | 109.9° |
C3' | C4' | H4' | 109.1° | 109.9° |
C4' | C3' | H3' | 109.2° | 110.5° |
O4' | C4' | C5' | 109.9° | 109.9° |
O4' | C4' | H4' | 110.1° | 109.9° |
N7 | C8 | H8 | 123.6° | 125.2° |
C4' | C5' | O5' | 112.1° | 109.5° |
C4' | C5' | H5'1 | 108.8° | 109.4° |
C4' | C5' | H5'2 | 108.8° | 109.5° |
C5' | C4' | H4' | 109.2° | 109.8° |
C5' | O5' | PA | 122.3° | 123.0° |
O5' | C5' | H5'1 | 108.8° | 109.4° |
O5' | C5' | H5'2 | 108.8° | 109.5° |
O5' | PA | O2A | 109.8° | 109.5° |
O5' | PA | O1A | 111.5° | 109.5° |
O5' | PA | C3A | 101.3° | 109.5° |
O2A | PA | O1A | 108.7° | 109.5° |
O2A | PA | C3A | 103.5° | 109.5° |
O1A | PA | C3A | 121.4° | 109.4° |
PA | O1A | H4 | 109.5° | 114.0° |
PA | C3A | PB | 115.6° | 109.5° |
PA | C3A | H3A2 | 107.9° | 109.5° |
PA | C3A | H3A1 | 107.9° | 109.5° |
C3A | PB | O1B | 113.3° | 109.4° |
C3A | PB | O2B | 108.9° | 109.5° |
C3A | PB | O3B | 100.8° | 109.5° |
PB | C3A | H3A2 | 107.9° | 109.4° |
PB | C3A | H3A1 | 107.9° | 109.4° |
O1B | PB | O2B | 112.8° | 109.5° |
O1B | PB | O3B | 113.7° | 109.5° |
O2B | PB | O3B | 106.6° | 109.5° |
PB | O2B | H1 | 109.5° | 114.0° |
PB | O3B | H2 | 109.5° | 114.0° |
H3A2 | C3A | H3A1 | 109.4° | 109.5° |
H5'1 | C5' | H5'2 | 109.5° | 109.5° |
H61 | N6 | H62 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C2 | N1 | N3 | 179.4° | 179.8° |
O | C2 | N1 | C6 | 179.0° | 180.0° |
O | C2 | N3 | C4 | 178.8° | 179.9° |
O | C2 | N3 | H3 | 1.2° | 0.2° |
N1 | C2 | N3 | C4 | 1.8° | 0.3° |
C2 | N1 | C6 | N6 | 179.5° | 180.0° |
C2 | N1 | C6 | C5 | 1.9° | 0.1° |
N1 | C2 | N3 | H3 | 178.2° | 180.0° |
N3 | C2 | N1 | C6 | 0.4° | 0.2° |
C2 | N3 | C4 | H3 | 180.0° | 179.7° |
C2 | N3 | C4 | C5 | 2.3° | 0.1° |
C2 | N3 | C4 | N9 | 179.8° | 179.9° |
N1 | C6 | N6 | C5 | 178.5° | 179.9° |
N1 | C6 | C5 | C4 | 1.4° | 0.2° |
N1 | C6 | C5 | N7 | 179.4° | 180.0° |
N1 | C6 | N6 | H61 | 0.0° | 179.9° |
N1 | C6 | N6 | H62 | 180.0° | 0.1° |
N3 | C4 | C5 | C6 | 0.7° | 0.1° |
N3 | C4 | C5 | N9 | 178.5° | 180.0° |
N3 | C4 | C5 | N7 | 178.7° | 180.0° |
N3 | C4 | N9 | C1' | 2.0° | 0.2° |
N3 | C4 | N9 | C8 | 177.8° | 179.9° |
O2' | C2' | C1' | C3' | 120.5° | 118.2° |
O2' | C2' | C1' | H2' | 122.6° | 123.6° |
O2' | C2' | C3' | H2' | 125.2° | 123.6° |
O2' | C2' | C1' | N9 | 129.6° | 86.2° |
O2' | C2' | C1' | O4' | 108.6° | 155.2° |
O2' | C2' | C3' | O3' | 31.8° | 20.3° |
O2' | C2' | C3' | C4' | 88.7° | 139.1° |
O2' | C2' | C3' | H3' | 155.7° | 102.2° |
O2' | C2' | C1' | H1' | 9.1° | 36.6° |
N6 | C6 | C5 | C4 | 179.8° | 179.9° |
N6 | C6 | C5 | N7 | 0.9° | 0.1° |
C6 | N6 | H61 | H62 | 180.0° | 180.0° |
C6 | C5 | C4 | N7 | 179.4° | 179.8° |
C6 | C5 | C4 | N9 | 179.2° | 179.9° |
C6 | C5 | N7 | C8 | 178.5° | 180.0° |
C5 | C6 | N6 | H61 | 178.5° | 0.0° |
C5 | C6 | N6 | H62 | 1.5° | 180.0° |
C5 | C4 | N9 | C1' | 179.9° | 179.8° |
C5 | C4 | N9 | C8 | 0.4° | 0.1° |
C4 | C5 | N7 | C8 | 0.8° | 0.2° |
C5 | C4 | N3 | H3 | 177.7° | 179.9° |
C4 | N9 | C1' | C2' | 91.9° | 85.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.0° |
C4 | N9 | C1' | C8 | 179.7° | 179.9° |
C4 | N9 | C1' | O4' | 147.1° | 160.9° |
C4 | N9 | C8 | N7 | 0.9° | 0.2° |
C4 | N9 | C8 | H8 | 179.1° | 180.0° |
C4 | N9 | C1' | H1' | 28.2° | 37.8° |
N9 | C4 | N3 | H3 | 0.2° | 0.1° |
C1' | C2' | C3' | H2' | 116.9° | 118.2° |
C2' | C1' | N9 | O4' | 121.0° | 114.1° |
C2' | C1' | N9 | H1' | 120.0° | 122.8° |
C2' | C1' | O4' | H1' | 116.7° | 118.6° |
C2' | C1' | N9 | C8 | 88.4° | 95.1° |
C1' | C2' | C3' | O3' | 149.7° | 97.9° |
C1' | C2' | C3' | C4' | 29.2° | 20.9° |
C2' | C1' | O4' | C4' | 11.7° | 39.9° |
C1' | C2' | C3' | H3' | 86.4° | 139.6° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C3' | C2' | C1' | N9 | 109.9° | 155.6° |
C3' | C2' | C1' | O4' | 11.9° | 37.0° |
C2' | C3' | O3' | C4' | 115.2° | 114.9° |
C2' | C3' | O3' | H3' | 123.1° | 122.6° |
C2' | C3' | C4' | H3' | 115.5° | 118.7° |
C2' | C3' | C4' | O4' | 36.9° | 1.9° |
C2' | C3' | C4' | C5' | 156.9° | 121.5° |
C2' | C3' | C4' | H4' | 80.7° | 117.6° |
C2' | C3' | O3' | HO3' | 180.0° | 65.1° |
C3' | C2' | O2' | HO2' | 65.9° | 67.3° |
C3' | C2' | C1' | H1' | 129.6° | 81.7° |
C5 | N7 | C8 | N9 | 1.1° | 0.2° |
C5 | N7 | C8 | H8 | 178.9° | 180.0° |
N9 | C1' | O4' | H1' | 118.5° | 123.0° |
N9 | C1' | O4' | C4' | 136.5° | 158.4° |
C1' | N9 | C8 | N7 | 179.3° | 179.7° |
C1' | N9 | C8 | H8 | 0.7° | 0.0° |
N9 | C1' | C2' | H2' | 7.0° | 37.4° |
O4' | C1' | N9 | C8 | 32.6° | 19.0° |
C1' | O4' | C4' | C3' | 30.8° | 26.4° |
C1' | O4' | C4' | C5' | 153.5° | 146.0° |
C1' | O4' | C4' | H4' | 86.0° | 93.1° |
O4' | C1' | C2' | H2' | 128.9° | 81.2° |
N9 | C8 | N7 | H8 | 180.0° | 179.7° |
C8 | N9 | C1' | H1' | 151.5° | 142.1° |
O3' | C3' | C4' | H3' | 122.5° | 122.5° |
O3' | C3' | C4' | O4' | 158.9° | 120.8° |
O3' | C3' | C4' | C5' | 81.1° | 119.7° |
O3' | C3' | C4' | H4' | 41.3° | 1.3° |
O3' | C3' | C2' | H2' | 93.4° | 143.9° |
C3' | C4' | O4' | C5' | 122.7° | 119.6° |
C3' | C4' | O4' | H4' | 116.8° | 119.5° |
C3' | C4' | C5' | H4' | 122.4° | 121.0° |
C3' | C4' | C5' | O5' | 170.7° | 175.3° |
C3' | C4' | C5' | H5'1 | 50.3° | 64.8° |
C3' | C4' | C5' | H5'2 | 68.9° | 55.3° |
C4' | C3' | O3' | HO3' | 64.8° | 179.9° |
C4' | C3' | C2' | H2' | 146.1° | 97.3° |
O4' | C4' | C5' | H4' | 121.0° | 121.0° |
O4' | C4' | C5' | O5' | 72.6° | 66.6° |
O4' | C4' | C5' | H5'1 | 167.0° | 53.3° |
O4' | C4' | C5' | H5'2 | 47.8° | 173.3° |
O4' | C4' | C3' | H3' | 78.6° | 116.8° |
C4' | O4' | C1' | H1' | 105.0° | 78.6° |
C4' | C5' | O5' | H5'1 | 120.4° | 119.9° |
C4' | C5' | O5' | H5'2 | 120.4° | 120.1° |
C4' | C5' | O5' | PA | 156.2° | 180.0° |
C4' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
C5' | C4' | C3' | H3' | 41.3° | 2.8° |
C5' | O5' | PA | O2A | 61.6° | 55.1° |
C5' | O5' | PA | O1A | 177.9° | 65.0° |
C5' | O5' | PA | C3A | 47.4° | 175.0° |
O5' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
O5' | C5' | C4' | H4' | 48.4° | 54.3° |
O5' | PA | O2A | O1A | 122.2° | 120.0° |
O5' | PA | O2A | C3A | 107.5° | 120.0° |
O5' | PA | O1A | C3A | 119.2° | 120.0° |
O5' | PA | C3A | PB | 70.9° | 180.0° |
O5' | PA | O1A | H4 | 121.2° | 60.0° |
O5' | PA | C3A | H3A2 | 168.2° | 60.0° |
O5' | PA | C3A | H3A1 | 50.0° | 60.0° |
PA | O5' | C5' | H5'1 | 35.8° | 60.0° |
PA | O5' | C5' | H5'2 | 83.5° | 60.0° |
O2A | PA | O1A | C3A | 119.7° | 120.0° |
O2A | PA | C3A | PB | 175.4° | 60.0° |
O2A | PA | O1A | H4 | 0.0° | 180.0° |
O2A | PA | C3A | H3A2 | 54.5° | 180.0° |
O2A | PA | C3A | H3A1 | 63.7° | 60.0° |
O1A | PA | C3A | PB | 53.2° | 60.0° |
O1A | PA | C3A | H3A2 | 67.7° | 60.0° |
O1A | PA | C3A | H3A1 | 174.1° | 180.0° |
PA | C3A | PB | H3A2 | 120.9° | 120.0° |
PA | C3A | PB | H3A1 | 120.9° | 120.0° |
PA | C3A | PB | O1B | 111.5° | 60.0° |
PA | C3A | PB | O2B | 14.9° | 60.0° |
PA | C3A | PB | O3B | 126.7° | 180.0° |
C3A | PA | O1A | H4 | 119.7° | 60.0° |
PA | C3A | H3A2 | H3A1 | 117.2° | 120.1° |
C3A | PB | O1B | O2B | 124.3° | 120.0° |
C3A | PB | O1B | O3B | 114.3° | 120.0° |
C3A | PB | O2B | O3B | 108.0° | 120.1° |
C3A | PB | O2B | H1 | 126.7° | 60.1° |
C3A | PB | O3B | H2 | 121.5° | 180.0° |
PB | C3A | H3A2 | H3A1 | 117.2° | 119.9° |
O1B | PB | O2B | O3B | 125.4° | 120.0° |
O1B | PB | O2B | H1 | 0.0° | 180.0° |
O1B | PB | O3B | H2 | 0.0° | 60.0° |
O1B | PB | C3A | H3A2 | 127.6° | 180.0° |
O1B | PB | C3A | H3A1 | 9.4° | 60.1° |
O2B | PB | O3B | H2 | 124.8° | 59.9° |
O2B | PB | C3A | H3A2 | 106.0° | 60.0° |
O2B | PB | C3A | H3A1 | 135.8° | 180.0° |
O3B | PB | O2B | H1 | 125.4° | 60.0° |
O3B | PB | C3A | H3A2 | 5.8° | 60.0° |
O3B | PB | C3A | H3A1 | 112.4° | 59.9° |
H5'1 | C5' | C4' | H4' | 72.0° | 174.3° |
H5'2 | C5' | C4' | H4' | 168.7° | 65.7° |
H4' | C4' | C3' | H3' | 163.8° | 123.7° |
H3' | C3' | O3' | HO3' | 56.9° | 57.5° |
H3' | C3' | C2' | H2' | 30.5° | 21.4° |
H2' | C2' | O2' | HO2' | 58.4° | 56.3° |
H2' | C2' | C1' | H1' | 113.4° | 160.2° |