A5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | N3S | sing | 1.35Å | 1.37Å | |
| N3S | S | sing | 1.65Å | 1.61Å | |
| N3S | H3S | sing | 0.97Å | 1.02Å | |
| S | O1S | doub | 1.42Å | 1.48Å | |
| S | O2S | doub | 1.42Å | 1.50Å | |
| S | O5' | sing | 1.52Å | 1.60Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| N6 | H61 | sing | 0.97Å | 1.02Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.0° | 106.7° |
| CA | N | HN2 | 111.6° | 106.7° |
| N | CA | CB | 111.0° | 109.5° |
| N | CA | C | 108.1° | 109.5° |
| N | CA | HA | 108.8° | 109.4° |
| H | N | HN2 | 111.7° | 106.7° |
| CB | CA | C | 107.7° | 109.5° |
| CB | CA | HA | 109.1° | 109.4° |
| CA | CB | HB1 | 111.1° | 109.5° |
| CA | CB | HB2 | 111.7° | 109.4° |
| CA | CB | HB3 | 111.7° | 109.4° |
| C | CA | HA | 112.0° | 109.5° |
| CA | C | O | 126.1° | 120.0° |
| CA | C | N3S | 111.2° | 120.1° |
| HB1 | CB | HB2 | 111.6° | 109.5° |
| HB1 | CB | HB3 | 111.6° | 109.5° |
| HB2 | CB | HB3 | 98.7° | 109.5° |
| O | C | N3S | 117.4° | 119.9° |
| C | N3S | S | 125.5° | 120.1° |
| C | N3S | H3S | 108.3° | 120.0° |
| S | N3S | H3S | 126.3° | 120.0° |
| N3S | S | O1S | 110.4° | 105.8° |
| N3S | S | O2S | 103.9° | 105.7° |
| N3S | S | O5' | 107.0° | 107.4° |
| O1S | S | O2S | 118.1° | 125.4° |
| O1S | S | O5' | 109.7° | 105.7° |
| O2S | S | O5' | 107.1° | 105.8° |
| S | O5' | C5' | 120.0° | 106.9° |
| O5' | C5' | C4' | 112.1° | 109.5° |
| O5' | C5' | H5'1 | 111.3° | 109.5° |
| O5' | C5' | H5'2 | 111.3° | 109.4° |
| C4' | C5' | H5'1 | 111.2° | 109.5° |
| C4' | C5' | H5'2 | 111.2° | 109.4° |
| C5' | C4' | O4' | 111.1° | 109.8° |
| C5' | C4' | C3' | 116.2° | 109.9° |
| C5' | C4' | H4' | 102.1° | 109.9° |
| H5'1 | C5' | H5'2 | 99.1° | 109.5° |
| O4' | C4' | C3' | 104.3° | 107.5° |
| O4' | C4' | H4' | 114.4° | 109.9° |
| C4' | O4' | C1' | 109.9° | 106.9° |
| C3' | C4' | H4' | 109.1° | 109.8° |
| C4' | C3' | O3' | 110.3° | 110.8° |
| C4' | C3' | C2' | 103.2° | 104.0° |
| C4' | C3' | H3' | 114.7° | 110.5° |
| O4' | C1' | C2' | 107.6° | 103.5° |
| O4' | C1' | N9 | 108.8° | 110.6° |
| O4' | C1' | H1' | 113.5° | 110.7° |
| O3' | C3' | C2' | 114.1° | 110.5° |
| O3' | C3' | H3' | 104.0° | 110.4° |
| C3' | O3' | H3T | 110.3° | 106.9° |
| C2' | C3' | H3' | 111.0° | 110.4° |
| C3' | C2' | O2' | 114.2° | 110.9° |
| C3' | C2' | C1' | 103.0° | 102.1° |
| C3' | C2' | H2' | 111.3° | 111.0° |
| O2' | C2' | C1' | 111.1° | 110.9° |
| O2' | C2' | H2' | 103.2° | 110.8° |
| C2' | O2' | HO'2 | 114.2° | 106.8° |
| C1' | C2' | H2' | 114.3° | 110.9° |
| C2' | C1' | N9 | 115.7° | 110.7° |
| C2' | C1' | H1' | 106.3° | 110.6° |
| N9 | C1' | H1' | 105.1° | 110.5° |
| C1' | N9 | C8 | 129.5° | 126.2° |
| C1' | N9 | C4 | 124.9° | 126.2° |
| C8 | N9 | C4 | 105.6° | 107.5° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 125.0° | 125.1° |
| N9 | C4 | C5 | 105.7° | 106.0° |
| N9 | C4 | N3 | 127.6° | 135.0° |
| N7 | C8 | H8 | 121.1° | 125.0° |
| C8 | N7 | C5 | 104.2° | 109.5° |
| N7 | C5 | C6 | 133.1° | 134.7° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C6 | C5 | C4 | 116.2° | 118.2° |
| C5 | C6 | N6 | 123.4° | 120.8° |
| C5 | C6 | N1 | 118.4° | 118.5° |
| C5 | C4 | N3 | 126.7° | 119.0° |
| N6 | C6 | N1 | 118.2° | 120.8° |
| C6 | N6 | H61 | 123.4° | 120.0° |
| C6 | N6 | H62 | 107.2° | 120.0° |
| C6 | N1 | C2 | 119.0° | 121.2° |
| H61 | N6 | H62 | 107.3° | 120.0° |
| N1 | C2 | N3 | 127.7° | 122.5° |
| N1 | C2 | H2 | 116.5° | 118.8° |
| N3 | C2 | H2 | 115.8° | 118.7° |
| C2 | N3 | C4 | 112.0° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 125.3° | 113.7° |
| N | CA | CB | C | 118.2° | 120.1° |
| N | CA | CB | HA | 119.9° | 119.9° |
| N | CA | C | HA | 119.9° | 120.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB2 | 54.7° | 60.1° |
| N | CA | CB | HB3 | 54.7° | 180.0° |
| N | CA | C | O | 0.1° | 30.0° |
| N | CA | C | N3S | 153.6° | 150.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | C | 62.0° | 60.1° |
| H | N | CA | HA | 59.9° | 179.9° |
| HN2 | N | CA | CB | 54.7° | 53.7° |
| HN2 | N | CA | C | 172.7° | 173.8° |
| HN2 | N | CA | HA | 65.4° | 66.2° |
| CB | CA | C | HA | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 125.4° | 120.0° |
| CA | CB | HB1 | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 117.6° | 119.9° |
| CB | CA | C | O | 120.2° | 90.0° |
| CB | CA | C | N3S | 86.3° | 89.9° |
| C | CA | CB | HB1 | 61.7° | 180.0° |
| C | CA | CB | HB2 | 172.9° | 60.0° |
| C | CA | CB | HB3 | 63.5° | 59.9° |
| CA | C | O | N3S | 152.0° | 179.9° |
| CA | C | N3S | S | 169.1° | 180.0° |
| CA | C | N3S | H3S | 11.0° | 0.1° |
| HA | CA | CB | HB1 | 60.1° | 60.0° |
| HA | CA | CB | HB2 | 65.2° | 180.0° |
| HA | CA | CB | HB3 | 174.7° | 60.1° |
| HA | CA | C | O | 119.7° | 150.0° |
| HA | CA | C | N3S | 33.7° | 30.0° |
| HB1 | CB | HB2 | HB3 | 117.4° | 120.1° |
| O | C | N3S | S | 13.1° | 0.0° |
| O | C | N3S | H3S | 167.0° | 180.0° |
| C | N3S | S | H3S | 179.9° | 180.0° |
| C | N3S | S | O1S | 51.3° | 172.6° |
| C | N3S | S | O2S | 178.8° | 52.6° |
| C | N3S | S | O5' | 68.1° | 60.0° |
| N3S | S | O1S | O2S | 119.3° | 123.1° |
| N3S | S | O1S | O5' | 117.7° | 113.7° |
| N3S | S | O2S | O5' | 113.0° | 113.7° |
| N3S | S | O5' | C5' | 51.6° | 90.0° |
| H3S | N3S | S | O1S | 128.8° | 7.4° |
| H3S | N3S | S | O2S | 1.2° | 127.4° |
| H3S | N3S | S | O5' | 111.8° | 120.0° |
| O1S | S | O2S | O5' | 124.3° | 123.1° |
| O1S | S | O5' | C5' | 171.4° | 22.6° |
| O2S | S | O5' | C5' | 59.3° | 157.4° |
| S | O5' | C5' | C4' | 133.9° | 180.0° |
| S | O5' | C5' | H5'1 | 8.6° | 60.0° |
| S | O5' | C5' | H5'2 | 100.9° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 55.6° | 61.7° |
| O5' | C5' | C4' | C3' | 63.5° | 179.7° |
| O5' | C5' | C4' | H4' | 177.9° | 59.3° |
| C4' | C5' | H5'1 | H5'2 | 117.1° | 119.9° |
| C5' | C4' | O4' | C3' | 126.0° | 119.6° |
| C5' | C4' | O4' | H4' | 114.9° | 121.0° |
| C5' | C4' | C3' | H4' | 114.6° | 121.0° |
| C5' | C4' | O4' | C1' | 148.2° | 146.0° |
| C5' | C4' | C3' | O3' | 81.6° | 119.8° |
| C5' | C4' | C3' | C2' | 156.2° | 121.4° |
| C5' | C4' | C3' | H3' | 35.4° | 2.9° |
| H5'1 | C5' | C4' | O4' | 179.2° | 58.3° |
| H5'1 | C5' | C4' | C3' | 61.8° | 59.7° |
| H5'1 | C5' | C4' | H4' | 56.8° | 179.3° |
| H5'2 | C5' | C4' | O4' | 69.7° | 178.3° |
| H5'2 | C5' | C4' | C3' | 171.2° | 60.3° |
| H5'2 | C5' | C4' | H4' | 52.7° | 60.7° |
| O4' | C4' | C3' | H4' | 122.7° | 119.5° |
| O4' | C4' | C3' | O3' | 155.7° | 120.7° |
| O4' | C4' | C3' | C2' | 33.5° | 1.9° |
| O4' | C4' | C3' | H3' | 87.3° | 116.6° |
| C4' | O4' | C1' | C2' | 1.7° | 40.0° |
| C4' | O4' | C1' | N9 | 127.8° | 158.7° |
| C4' | O4' | C1' | H1' | 115.6° | 78.5° |
| C3' | C4' | O4' | C1' | 22.3° | 26.4° |
| C4' | C3' | O3' | C2' | 115.6° | 114.8° |
| C4' | C3' | O3' | H3' | 123.4° | 122.7° |
| C4' | C3' | C2' | H3' | 123.3° | 118.5° |
| C4' | C3' | O3' | H3T | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 88.6° | 139.2° |
| C4' | C3' | C2' | C1' | 32.0° | 21.0° |
| C4' | C3' | C2' | H2' | 155.0° | 97.2° |
| H4' | C4' | O4' | C1' | 96.8° | 93.0° |
| H4' | C4' | C3' | O3' | 33.1° | 1.2° |
| H4' | C4' | C3' | C2' | 89.2° | 117.6° |
| H4' | C4' | C3' | H3' | 150.0° | 123.9° |
| O4' | C1' | C2' | C3' | 19.3° | 37.1° |
| O4' | C1' | C2' | O2' | 103.3° | 155.3° |
| O4' | C1' | C2' | N9 | 121.8° | 118.6° |
| O4' | C1' | C2' | H1' | 121.9° | 118.6° |
| O4' | C1' | C2' | H2' | 140.3° | 81.2° |
| O4' | C1' | N9 | H1' | 121.9° | 122.9° |
| O4' | C1' | N9 | C8 | 54.2° | 28.5° |
| O4' | C1' | N9 | C4 | 125.1° | 151.7° |
| O3' | C3' | C2' | H3' | 117.0° | 122.5° |
| O3' | C3' | C2' | O2' | 31.1° | 20.2° |
| O3' | C3' | C2' | C1' | 151.7° | 98.0° |
| O3' | C3' | C2' | H2' | 85.4° | 143.8° |
| C2' | C3' | O3' | H3T | 64.3° | 61.4° |
| C3' | C2' | O2' | C1' | 116.0° | 112.7° |
| C3' | C2' | O2' | H2' | 121.0° | 123.7° |
| C3' | C2' | C1' | H2' | 121.0° | 118.3° |
| C3' | C2' | O2' | HO'2 | 180.0° | 67.3° |
| C3' | C2' | C1' | N9 | 102.5° | 155.7° |
| C3' | C2' | C1' | H1' | 141.3° | 81.4° |
| H3' | C3' | O3' | H3T | 56.6° | 61.1° |
| H3' | C3' | C2' | O2' | 148.1° | 102.3° |
| H3' | C3' | C2' | C1' | 91.3° | 139.5° |
| H3' | C3' | C2' | H2' | 31.7° | 21.3° |
| O2' | C2' | C1' | H2' | 116.4° | 123.6° |
| O2' | C2' | C1' | N9 | 134.8° | 86.1° |
| O2' | C2' | C1' | H1' | 18.6° | 36.7° |
| C1' | C2' | O2' | HO'2 | 64.0° | 180.0° |
| C2' | C1' | N9 | H1' | 116.9° | 122.9° |
| C2' | C1' | N9 | C8 | 67.0° | 85.7° |
| C2' | C1' | N9 | C4 | 113.6° | 94.1° |
| H2' | C2' | O2' | HO'2 | 59.0° | 56.4° |
| H2' | C2' | C1' | N9 | 18.5° | 37.4° |
| H2' | C2' | C1' | H1' | 97.7° | 160.3° |
| C1' | N9 | C8 | C4 | 179.5° | 179.8° |
| C1' | N9 | C8 | N7 | 179.4° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.0° |
| C1' | N9 | C4 | C5 | 179.3° | 179.8° |
| C1' | N9 | C4 | N3 | 0.4° | 0.6° |
| H1' | C1' | N9 | C8 | 176.1° | 151.4° |
| H1' | C1' | N9 | C4 | 3.2° | 28.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.2° | 0.3° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.8° |
| N9 | C4 | C5 | N7 | 0.2° | 0.3° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N3 | 179.8° | 179.4° |
| N9 | C4 | N3 | C2 | 179.7° | 179.6° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.2° |
| H8 | C8 | N7 | C5 | 180.0° | 180.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.8° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.7° |
| C5 | C6 | N6 | N1 | 179.9° | 179.9° |
| C5 | C6 | N6 | H61 | 180.0° | 179.9° |
| C5 | C6 | N6 | H62 | 54.8° | 0.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.2° |
| C6 | C5 | C4 | N3 | 0.0° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| C6 | N6 | H61 | H62 | 125.2° | 179.9° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | H61 | 0.1° | 0.1° |
| N1 | C6 | N6 | H62 | 125.3° | 179.9° |
| C6 | N1 | C2 | N3 | 0.0° | 0.2° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| H2 | C2 | N3 | C4 | 180.0° | 179.7° |
