A1CYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SG | CB | sing | 1.81Å | 1.82Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.20Å | |
| C | O3P | sing | 1.34Å | 1.35Å | |
| O2' | C2' | sing | 1.43Å | 1.40Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.54Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| O3P | P | sing | 1.61Å | 1.64Å | |
| O1P | P | doub | 1.48Å | 1.47Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| P | O5' | sing | 1.61Å | 1.66Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| SG | H8 | sing | 1.34Å | 1.30Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| O2P | H19 | sing | 0.97Å | 0.95Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SG | CB | CA | 116.1° | 109.5° |
| SG | CB | H6 | 107.8° | 109.5° |
| SG | CB | H7 | 107.8° | 109.4° |
| CB | SG | H8 | 102.0° | 103.0° |
| CB | CA | C | 111.7° | 109.5° |
| CB | CA | N | 111.8° | 109.5° |
| CB | CA | H5 | 108.4° | 109.5° |
| CA | CB | H6 | 107.8° | 109.5° |
| CA | CB | H7 | 107.8° | 109.5° |
| C | CA | N | 107.5° | 109.5° |
| CA | C | O | 122.4° | 120.0° |
| CA | C | O3P | 114.2° | 120.0° |
| C | CA | H5 | 108.5° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H3 | 109.5° | 111.0° |
| N | CA | H5 | 108.9° | 109.4° |
| O | C | O3P | 123.4° | 120.0° |
| C | O3P | P | 130.3° | 117.0° |
| O2' | C2' | C3' | 113.7° | 110.6° |
| O2' | C2' | C1' | 113.7° | 110.5° |
| O2' | C2' | H11 | 110.7° | 110.5° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| O3' | C3' | C2' | 111.5° | 110.5° |
| O3' | C3' | C4' | 110.7° | 110.5° |
| O3' | C3' | H12 | 112.0° | 110.5° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| C2' | C3' | C4' | 101.6° | 104.0° |
| C3' | C2' | C1' | 100.5° | 104.1° |
| C3' | C2' | H11 | 108.8° | 110.5° |
| C2' | C3' | H12 | 110.3° | 110.5° |
| C3' | C4' | C5' | 113.8° | 110.4° |
| C3' | C4' | O4' | 106.8° | 104.8° |
| C4' | C3' | H12 | 110.2° | 110.5° |
| C3' | C4' | H13 | 108.6° | 110.4° |
| C2' | C1' | N9 | 113.0° | 110.4° |
| C2' | C1' | O4' | 103.0° | 104.8° |
| C2' | C1' | H9 | 109.4° | 110.5° |
| C1' | C2' | H11 | 108.8° | 110.5° |
| O3P | P | O1P | 109.7° | 109.5° |
| O3P | P | O5' | 107.3° | 109.5° |
| O3P | P | O2P | 110.2° | 109.4° |
| O1P | P | O5' | 105.6° | 109.5° |
| O1P | P | O2P | 117.2° | 109.4° |
| N9 | C1' | O4' | 109.6° | 110.4° |
| C1' | N9 | C8 | 125.1° | 126.2° |
| C1' | N9 | C4 | 128.4° | 126.3° |
| N9 | C1' | H9 | 110.6° | 110.3° |
| C1' | O4' | C4' | 108.6° | 105.3° |
| O4' | C1' | H9 | 111.0° | 110.3° |
| O5' | P | O2P | 106.2° | 109.5° |
| P | O5' | C5' | 119.6° | 123.0° |
| P | O2P | H19 | 109.5° | 114.0° |
| C5' | C4' | O4' | 108.9° | 110.4° |
| C4' | C5' | O5' | 109.5° | 109.5° |
| C5' | C4' | H13 | 108.9° | 110.3° |
| C4' | C5' | H14 | 109.5° | 109.5° |
| C4' | C5' | H15 | 109.4° | 109.5° |
| O4' | C4' | H13 | 109.8° | 110.4° |
| O5' | C5' | H14 | 109.4° | 109.5° |
| O5' | C5' | H15 | 109.5° | 109.4° |
| C8 | N9 | C4 | 106.4° | 107.5° |
| N9 | C8 | N7 | 113.5° | 110.0° |
| N9 | C8 | H1 | 123.3° | 125.0° |
| N9 | C4 | N3 | 128.5° | 134.9° |
| N9 | C4 | C5 | 105.1° | 106.0° |
| C8 | N7 | C5 | 104.1° | 109.5° |
| N7 | C8 | H1 | 123.3° | 125.0° |
| C4 | N3 | C2 | 111.4° | 120.7° |
| N3 | C4 | C5 | 126.4° | 119.1° |
| N3 | C2 | N1 | 128.9° | 122.5° |
| N3 | C2 | H10 | 115.6° | 118.8° |
| C4 | C5 | N7 | 110.9° | 107.1° |
| C4 | C5 | C6 | 117.2° | 118.2° |
| N7 | C5 | C6 | 131.8° | 134.7° |
| C5 | C6 | N1 | 117.4° | 118.5° |
| C5 | C6 | N6 | 123.5° | 120.8° |
| C2 | N1 | C6 | 118.7° | 121.2° |
| N1 | C2 | H10 | 115.6° | 118.8° |
| N1 | C6 | N6 | 119.0° | 120.8° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| H2 | N | H3 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H14 | C5' | H15 | 109.5° | 109.5° |
| H16 | N6 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SG | CB | CA | H6 | 121.0° | 120.0° |
| SG | CB | CA | H7 | 121.0° | 120.0° |
| SG | CB | CA | C | 177.7° | 180.0° |
| SG | CB | CA | N | 57.2° | 60.0° |
| SG | CB | CA | H5 | 62.8° | 60.0° |
| SG | CB | H6 | H7 | 117.0° | 119.9° |
| CB | CA | C | N | 123.0° | 120.0° |
| CB | CA | C | H5 | 119.4° | 120.0° |
| CB | CA | N | H5 | 119.7° | 120.0° |
| CB | CA | C | O | 54.4° | 100.0° |
| CB | CA | C | O3P | 123.1° | 80.0° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CB | CA | N | H3 | 60.0° | 63.9° |
| CA | CB | H6 | H7 | 117.0° | 120.0° |
| CA | CB | SG | H8 | 180.0° | 180.0° |
| C | CA | N | H5 | 117.3° | 120.0° |
| CA | C | O | O3P | 177.2° | 180.0° |
| CA | C | O3P | P | 176.6° | 180.0° |
| C | CA | N | H2 | 57.1° | 60.0° |
| C | CA | N | H3 | 62.9° | 176.1° |
| C | CA | CB | H6 | 61.3° | 60.0° |
| C | CA | CB | H7 | 56.7° | 60.0° |
| N | CA | C | O | 177.4° | 20.0° |
| N | CA | C | O3P | 0.1° | 159.9° |
| CA | N | H2 | H3 | 120.0° | 123.9° |
| N | CA | CB | H6 | 178.2° | 60.0° |
| N | CA | CB | H7 | 63.8° | 180.0° |
| O | C | O3P | P | 5.9° | 0.0° |
| O | C | CA | H5 | 65.0° | 140.0° |
| C | O3P | P | O1P | 49.6° | 55.0° |
| C | O3P | P | O5' | 64.7° | 175.1° |
| C | O3P | P | O2P | 180.0° | 65.0° |
| O3P | C | CA | H5 | 117.5° | 40.0° |
| O2' | C2' | C3' | O3' | 40.8° | 0.1° |
| O2' | C2' | C3' | C1' | 121.9° | 118.7° |
| O2' | C2' | C3' | H11 | 123.9° | 122.7° |
| O2' | C2' | C3' | C4' | 158.8° | 118.7° |
| O2' | C2' | C1' | H11 | 123.9° | 122.6° |
| O2' | C2' | C1' | N9 | 75.9° | 98.4° |
| O2' | C2' | C1' | O4' | 166.0° | 142.7° |
| O2' | C2' | C1' | H9 | 47.9° | 23.9° |
| O2' | C2' | C3' | H12 | 84.3° | 122.6° |
| O3' | C3' | C2' | C4' | 118.0° | 118.7° |
| O3' | C3' | C2' | H12 | 125.1° | 122.7° |
| O3' | C3' | C4' | H12 | 124.5° | 122.7° |
| O3' | C3' | C2' | C1' | 81.1° | 118.7° |
| O3' | C3' | C4' | C5' | 139.5° | 98.5° |
| O3' | C3' | C4' | O4' | 100.4° | 142.6° |
| O3' | C3' | C2' | H11 | 164.7° | 122.7° |
| O3' | C3' | C4' | H13 | 18.0° | 23.7° |
| C2' | C3' | C4' | H12 | 117.0° | 118.6° |
| C3' | C2' | C1' | H11 | 114.2° | 118.6° |
| C3' | C2' | C1' | N9 | 162.2° | 142.8° |
| C3' | C2' | C1' | O4' | 44.1° | 23.9° |
| C2' | C3' | C4' | C5' | 102.0° | 142.8° |
| C2' | C3' | C4' | O4' | 18.2° | 24.0° |
| C3' | C2' | C1' | H9 | 74.0° | 94.9° |
| C2' | C3' | C4' | H13 | 136.6° | 95.0° |
| C3' | C2' | O2' | H18 | 180.0° | 65.3° |
| C2' | C3' | O3' | H20 | 180.0° | 61.5° |
| C4' | C3' | C2' | C1' | 36.9° | 0.0° |
| C3' | C4' | O4' | C1' | 9.8° | 40.5° |
| C3' | C4' | C5' | O4' | 119.0° | 115.4° |
| C3' | C4' | C5' | H13 | 121.3° | 122.2° |
| C3' | C4' | O4' | H13 | 117.6° | 118.9° |
| C3' | C4' | C5' | O5' | 57.9° | 175.0° |
| C4' | C3' | C2' | H11 | 77.3° | 118.6° |
| C3' | C4' | C5' | H14 | 177.9° | 55.0° |
| C3' | C4' | C5' | H15 | 62.1° | 65.1° |
| C4' | C3' | O3' | H20 | 67.6° | 176.1° |
| C2' | C1' | N9 | O4' | 114.2° | 115.4° |
| C2' | C1' | N9 | H9 | 123.1° | 122.4° |
| C2' | C1' | O4' | H9 | 117.0° | 118.9° |
| C2' | C1' | O4' | C4' | 33.9° | 40.5° |
| C2' | C1' | N9 | C8 | 51.9° | 91.8° |
| C2' | C1' | N9 | C4 | 128.2° | 88.2° |
| C1' | C2' | C3' | H12 | 153.8° | 118.6° |
| C1' | C2' | O2' | H18 | 65.8° | 179.9° |
| O3P | P | O1P | O5' | 115.4° | 120.0° |
| O3P | P | O1P | O2P | 126.6° | 120.0° |
| O3P | P | O5' | O2P | 117.9° | 120.0° |
| O3P | P | O5' | C5' | 58.9° | 175.0° |
| O3P | P | O2P | H19 | 126.3° | 60.0° |
| O1P | P | O5' | O2P | 125.1° | 120.0° |
| O1P | P | O5' | C5' | 175.8° | 55.0° |
| O1P | P | O2P | H19 | 0.0° | 180.0° |
| N9 | C1' | O4' | H9 | 122.4° | 122.2° |
| N9 | C1' | O4' | C4' | 154.5° | 159.4° |
| C1' | N9 | C8 | C4 | 179.9° | 180.0° |
| C1' | N9 | C8 | N7 | 179.6° | 180.0° |
| C1' | N9 | C4 | N3 | 0.1° | 0.0° |
| C1' | N9 | C4 | C5 | 179.7° | 180.0° |
| C1' | N9 | C8 | H1 | 0.4° | 0.0° |
| N9 | C1' | C2' | H11 | 48.1° | 24.2° |
| C1' | O4' | C4' | C5' | 133.1° | 159.3° |
| O4' | C1' | N9 | C8 | 62.3° | 23.6° |
| O4' | C1' | N9 | C4 | 117.6° | 156.4° |
| O4' | C1' | C2' | H11 | 70.1° | 94.7° |
| C1' | O4' | C4' | H13 | 107.8° | 78.4° |
| P | O5' | C5' | C4' | 166.1° | 180.0° |
| P | O5' | C5' | H14 | 73.9° | 59.9° |
| P | O5' | C5' | H15 | 46.1° | 60.0° |
| O5' | P | O2P | H19 | 117.7° | 60.0° |
| O2P | P | O5' | C5' | 59.0° | 65.0° |
| C5' | C4' | O4' | H13 | 119.2° | 122.3° |
| C4' | C5' | O5' | H14 | 120.0° | 120.1° |
| C4' | C5' | O5' | H15 | 120.0° | 120.0° |
| C5' | C4' | C3' | H12 | 15.0° | 24.2° |
| C4' | C5' | H14 | H15 | 120.0° | 120.0° |
| O4' | C4' | C5' | O5' | 61.1° | 69.6° |
| C4' | O4' | C1' | H9 | 83.1° | 78.5° |
| O4' | C4' | C3' | H12 | 135.2° | 94.7° |
| O4' | C4' | C5' | H14 | 58.9° | 170.4° |
| O4' | C4' | C5' | H15 | 178.9° | 50.4° |
| O5' | C5' | C4' | H13 | 179.2° | 52.7° |
| O5' | C5' | H14 | H15 | 120.0° | 119.9° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C4 | C5 | 0.2° | 0.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C1' | H9 | 175.0° | 145.8° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| N9 | C4 | N3 | C5 | 179.9° | 180.0° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.0° |
| N9 | C4 | C5 | C6 | 179.4° | 179.9° |
| C4 | N9 | C8 | H1 | 179.6° | 180.0° |
| C4 | N9 | C1' | H9 | 5.1° | 34.2° |
| C8 | N7 | C5 | C4 | 0.2° | 0.0° |
| C8 | N7 | C5 | C6 | 179.1° | 179.9° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C4 | N3 | C2 | N1 | 0.9° | 0.1° |
| C4 | N3 | C2 | H10 | 179.1° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| N3 | C2 | N1 | H10 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 1.3° | 0.0° |
| C4 | C5 | N7 | C6 | 179.3° | 179.9° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| N7 | C5 | C6 | N1 | 179.5° | 180.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.1° |
| C5 | N7 | C8 | H1 | 179.6° | 180.0° |
| C5 | C6 | N1 | C2 | 0.6° | 0.1° |
| C5 | C6 | N1 | N6 | 180.0° | 179.9° |
| C5 | C6 | N6 | H16 | 180.0° | 180.0° |
| C5 | C6 | N6 | H17 | 59.9° | 0.1° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| C6 | N1 | C2 | H10 | 178.7° | 179.9° |
| N1 | C6 | N6 | H16 | 0.0° | 0.1° |
| N1 | C6 | N6 | H17 | 120.0° | 180.0° |
| C6 | N6 | H16 | H17 | 120.0° | 179.9° |
| H2 | N | CA | H5 | 60.3° | 180.0° |
| H3 | N | CA | H5 | 179.8° | 56.1° |
| H5 | CA | CB | H6 | 58.1° | 180.0° |
| H5 | CA | CB | H7 | 176.2° | 60.0° |
| H6 | CB | SG | H8 | 59.0° | 60.0° |
| H7 | CB | SG | H8 | 59.0° | 60.0° |
| H9 | C1' | C2' | H11 | 171.8° | 146.5° |
| H11 | C2' | C3' | H12 | 39.6° | 0.0° |
| H11 | C2' | O2' | H18 | 57.1° | 57.4° |
| H12 | C3' | C4' | H13 | 106.5° | 146.4° |
| H12 | C3' | O3' | H20 | 55.8° | 61.2° |
| H13 | C4' | C5' | H14 | 60.8° | 67.3° |
| H13 | C4' | C5' | H15 | 59.2° | 172.7° |
