P5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CG | sing | 1.54Å | 1.52Å | |
| CB | CA | sing | 1.54Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.54Å | 1.55Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | N3S | sing | 1.35Å | 1.34Å | |
| N | CD | sing | 1.49Å | 1.48Å | |
| N | CA | sing | 1.49Å | 1.47Å | |
| N | HT1 | sing | 1.01Å | 1.02Å | |
| CD | HD1 | sing | 1.09Å | 1.12Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| N3S | S | sing | 1.66Å | 1.59Å | |
| 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 | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H1'1 | sing | 1.09Å | 1.11Å | |
| C5' | H1'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| N6 | H61 | sing | 0.97Å | 1.02Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | CA | 101.9° | 105.1° |
| CG | CB | HB1 | 115.1° | 110.4° |
| CG | CB | HB2 | 115.1° | 110.4° |
| CB | CG | CD | 105.7° | 105.1° |
| CB | CG | HG1 | 113.6° | 110.4° |
| CB | CG | HG2 | 113.6° | 110.3° |
| CA | CB | HB1 | 115.1° | 110.3° |
| CA | CB | HB2 | 115.1° | 110.3° |
| CB | CA | C | 111.4° | 110.4° |
| CB | CA | N | 106.7° | 104.7° |
| CB | CA | HA | 110.5° | 110.4° |
| HB1 | CB | HB2 | 95.3° | 110.4° |
| CD | CG | HG1 | 113.6° | 110.3° |
| CD | CG | HG2 | 113.7° | 110.3° |
| CG | CD | N | 104.0° | 104.7° |
| CG | CD | HD1 | 114.3° | 110.4° |
| CG | CD | HD2 | 114.2° | 110.4° |
| HG1 | CG | HG2 | 96.8° | 110.3° |
| O | C | CA | 120.3° | 120.0° |
| O | C | N3S | 123.0° | 120.0° |
| CA | C | N3S | 116.7° | 120.1° |
| C | CA | N | 110.9° | 110.5° |
| C | CA | HA | 106.3° | 110.3° |
| C | N3S | S | 125.0° | 120.1° |
| C | N3S | H3S | 108.2° | 120.0° |
| CD | N | CA | 110.1° | 104.2° |
| CD | N | HT1 | 112.0° | 106.7° |
| N | CD | HD1 | 114.3° | 110.5° |
| N | CD | HD2 | 114.3° | 110.3° |
| CA | N | HT1 | 111.9° | 106.9° |
| N | CA | HA | 111.1° | 110.4° |
| HD1 | CD | HD2 | 96.2° | 110.5° |
| S | N3S | H3S | 126.8° | 119.9° |
| N3S | S | O1S | 109.3° | 105.7° |
| N3S | S | O2S | 103.6° | 105.8° |
| N3S | S | O5' | 107.1° | 107.4° |
| O1S | S | O2S | 118.9° | 125.4° |
| O1S | S | O5' | 109.6° | 105.7° |
| O2S | S | O5' | 107.7° | 105.8° |
| S | O5' | C5' | 120.9° | 106.8° |
| O5' | C5' | C4' | 112.3° | 109.6° |
| O5' | C5' | H1'1 | 111.2° | 109.5° |
| O5' | C5' | H1'2 | 111.2° | 109.4° |
| C4' | C5' | H1'1 | 111.1° | 109.5° |
| C4' | C5' | H1'2 | 111.2° | 109.4° |
| C5' | C4' | O4' | 109.9° | 110.3° |
| C5' | C4' | C3' | 115.8° | 110.5° |
| C5' | C4' | H4' | 103.1° | 110.3° |
| H1'1 | C5' | H1'2 | 99.2° | 109.4° |
| O4' | C4' | C3' | 103.9° | 104.9° |
| O4' | C4' | H4' | 115.3° | 110.4° |
| C4' | O4' | C1' | 110.7° | 105.2° |
| C3' | C4' | H4' | 109.3° | 110.4° |
| C4' | C3' | C2' | 102.4° | 104.1° |
| C4' | C3' | O3' | 109.2° | 110.5° |
| C4' | C3' | H3' | 115.1° | 110.5° |
| O4' | C1' | N9 | 110.0° | 110.4° |
| O4' | C1' | C2' | 106.9° | 104.9° |
| O4' | C1' | H1' | 114.2° | 110.4° |
| N9 | C1' | C2' | 117.6° | 110.4° |
| N9 | C1' | H1' | 102.5° | 110.3° |
| C1' | N9 | C4 | 124.4° | 126.3° |
| C1' | N9 | C8 | 130.2° | 126.3° |
| C2' | C1' | H1' | 105.9° | 110.4° |
| C1' | C2' | O2' | 106.7° | 110.8° |
| C1' | C2' | C3' | 102.5° | 104.0° |
| C1' | C2' | H2' | 117.8° | 110.4° |
| C4 | N9 | C8 | 105.4° | 107.4° |
| N9 | C4 | N3 | 127.8° | 134.9° |
| N9 | C4 | C5 | 105.6° | 106.1° |
| N9 | C8 | N7 | 114.2° | 110.0° |
| N9 | C8 | H8 | 124.9° | 125.0° |
| N3 | C4 | C5 | 126.6° | 119.0° |
| C4 | N3 | C2 | 111.9° | 120.7° |
| C4 | C5 | C6 | 116.1° | 118.2° |
| C4 | C5 | N7 | 110.7° | 107.1° |
| N3 | C2 | N1 | 128.0° | 122.4° |
| N3 | C2 | H2 | 115.3° | 118.8° |
| N1 | C2 | H2 | 116.7° | 118.8° |
| C2 | N1 | C6 | 119.1° | 121.2° |
| N1 | C6 | N6 | 117.8° | 120.8° |
| N1 | C6 | C5 | 118.3° | 118.4° |
| N6 | C6 | C5 | 123.9° | 120.8° |
| C6 | N6 | H61 | 117.8° | 120.0° |
| C6 | N6 | H62 | 109.1° | 119.9° |
| C6 | C5 | N7 | 133.2° | 134.7° |
| H61 | N6 | H62 | 109.3° | 120.1° |
| C5 | N7 | C8 | 104.0° | 109.4° |
| N7 | C8 | H8 | 120.9° | 125.0° |
| O2' | C2' | C3' | 115.5° | 110.5° |
| O2' | C2' | H2' | 105.3° | 110.5° |
| C2' | O2' | HO'2 | 106.7° | 106.8° |
| C3' | C2' | H2' | 109.5° | 110.5° |
| C2' | C3' | O3' | 112.0° | 110.5° |
| C2' | C3' | H3' | 112.4° | 110.6° |
| O3' | C3' | H3' | 106.0° | 110.5° |
| C3' | O3' | H3T | 109.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | CA | HB1 | 125.3° | 118.9° |
| CG | CB | CA | HB2 | 125.2° | 118.9° |
| CG | CB | HB1 | HB2 | 120.9° | 122.2° |
| CB | CG | CD | HG1 | 125.3° | 119.0° |
| CB | CG | CD | HG2 | 125.3° | 118.9° |
| CB | CG | HG1 | HG2 | 119.5° | 122.2° |
| CG | CB | CA | C | 91.0° | 142.7° |
| CB | CG | CD | N | 25.2° | 23.8° |
| CG | CB | CA | N | 30.1° | 23.7° |
| CB | CG | CD | HD1 | 150.6° | 142.6° |
| CB | CG | CD | HD2 | 100.0° | 94.9° |
| CG | CB | CA | HA | 151.0° | 95.1° |
| CA | CB | HB1 | HB2 | 121.0° | 122.1° |
| CA | CB | CG | CD | 33.7° | 0.0° |
| CA | CB | CG | HG1 | 91.6° | 118.9° |
| CA | CB | CG | HG2 | 159.0° | 118.9° |
| CB | CA | C | O | 113.7° | 88.4° |
| CB | CA | C | N | 118.7° | 115.3° |
| CB | CA | C | HA | 120.4° | 122.3° |
| CB | CA | C | N3S | 65.9° | 91.6° |
| CB | CA | N | CD | 15.2° | 39.3° |
| CB | CA | N | HA | 120.5° | 118.8° |
| CB | CA | N | HT1 | 110.1° | 152.1° |
| HB1 | CB | CG | CD | 91.6° | 118.9° |
| HB1 | CB | CG | HG1 | 143.1° | 0.0° |
| HB1 | CB | CG | HG2 | 33.7° | 122.2° |
| HB1 | CB | CA | C | 143.7° | 23.7° |
| HB1 | CB | CA | N | 95.2° | 95.2° |
| HB1 | CB | CA | HA | 25.7° | 146.0° |
| HB2 | CB | CG | CD | 159.0° | 118.8° |
| HB2 | CB | CG | HG1 | 33.7° | 122.2° |
| HB2 | CB | CG | HG2 | 75.7° | 0.0° |
| HB2 | CB | CA | C | 34.2° | 98.4° |
| HB2 | CB | CA | N | 155.4° | 142.6° |
| HB2 | CB | CA | HA | 83.8° | 23.8° |
| CD | CG | HG1 | HG2 | 119.5° | 122.1° |
| CG | CD | N | HD1 | 125.3° | 118.9° |
| CG | CD | N | HD2 | 125.2° | 118.8° |
| CG | CD | N | CA | 6.1° | 39.3° |
| CG | CD | N | HT1 | 131.3° | 152.2° |
| CG | CD | HD1 | HD2 | 120.1° | 122.5° |
| HG1 | CG | CD | N | 100.1° | 95.2° |
| HG1 | CG | CD | HD1 | 25.2° | 23.6° |
| HG1 | CG | CD | HD2 | 134.7° | 146.1° |
| HG2 | CG | CD | N | 150.6° | 142.7° |
| HG2 | CG | CD | HD1 | 84.1° | 98.5° |
| HG2 | CG | CD | HD2 | 25.3° | 24.0° |
| O | C | CA | N3S | 179.7° | 180.0° |
| O | C | CA | N | 5.0° | 27.0° |
| O | C | CA | HA | 125.8° | 149.3° |
| O | C | N3S | S | 0.5° | 0.1° |
| O | C | N3S | H3S | 179.6° | 180.0° |
| C | CA | N | CD | 106.3° | 158.2° |
| C | CA | N | HA | 118.0° | 122.3° |
| C | CA | N | HT1 | 128.5° | 89.1° |
| CA | C | N3S | S | 179.2° | 180.0° |
| CA | C | N3S | H3S | 0.8° | 0.0° |
| N3S | C | CA | N | 175.4° | 153.1° |
| N3S | C | CA | HA | 54.5° | 30.7° |
| C | N3S | S | H3S | 179.9° | 179.9° |
| C | N3S | S | O1S | 51.4° | 52.6° |
| C | N3S | S | O2S | 179.0° | 172.6° |
| C | N3S | S | O5' | 67.3° | 59.9° |
| CD | N | CA | HT1 | 125.3° | 112.8° |
| N | CD | HD1 | HD2 | 120.2° | 122.3° |
| CD | N | CA | HA | 135.7° | 79.5° |
| CA | N | CD | HD1 | 131.4° | 158.1° |
| CA | N | CD | HD2 | 119.1° | 79.5° |
| HT1 | N | CD | HD1 | 103.4° | 88.9° |
| HT1 | N | CD | HD2 | 6.1° | 33.4° |
| HT1 | N | CA | HA | 10.4° | 33.3° |
| N3S | S | O1S | O2S | 118.5° | 123.2° |
| N3S | S | O1S | O5' | 117.1° | 113.7° |
| N3S | S | O2S | O5' | 113.2° | 113.8° |
| N3S | S | O5' | C5' | 55.7° | 90.1° |
| H3S | N3S | S | O1S | 128.7° | 127.5° |
| H3S | N3S | S | O2S | 1.0° | 7.4° |
| H3S | N3S | S | O5' | 112.7° | 120.0° |
| O1S | S | O2S | O5' | 125.3° | 123.1° |
| O1S | S | O5' | C5' | 174.2° | 157.4° |
| O2S | S | O5' | C5' | 55.1° | 22.6° |
| S | O5' | C5' | C4' | 122.3° | 180.0° |
| S | O5' | C5' | H1'1 | 2.9° | 59.9° |
| S | O5' | C5' | H1'2 | 112.5° | 60.0° |
| O5' | C5' | C4' | H1'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H1'2 | 125.3° | 120.0° |
| O5' | C5' | H1'1 | H1'2 | 117.1° | 119.9° |
| O5' | C5' | C4' | O4' | 60.0° | 61.4° |
| O5' | C5' | C4' | C3' | 57.3° | 176.9° |
| O5' | C5' | C4' | H4' | 176.6° | 60.8° |
| C4' | C5' | H1'1 | H1'2 | 117.0° | 120.0° |
| C5' | C4' | O4' | C3' | 124.5° | 119.0° |
| C5' | C4' | O4' | H4' | 116.0° | 122.1° |
| C5' | C4' | C3' | H4' | 115.9° | 122.2° |
| C5' | C4' | O4' | C1' | 147.5° | 159.5° |
| C5' | C4' | C3' | C2' | 156.1° | 143.0° |
| C5' | C4' | C3' | O3' | 85.0° | 98.3° |
| C5' | C4' | C3' | H3' | 34.0° | 24.3° |
| H1'1 | C5' | C4' | O4' | 174.7° | 178.5° |
| H1'1 | C5' | C4' | C3' | 68.0° | 63.0° |
| H1'1 | C5' | C4' | H4' | 51.3° | 59.3° |
| H1'2 | C5' | C4' | O4' | 65.3° | 58.6° |
| H1'2 | C5' | C4' | C3' | 177.4° | 56.9° |
| H1'2 | C5' | C4' | H4' | 58.1° | 179.2° |
| O4' | C4' | C3' | H4' | 123.5° | 118.9° |
| C4' | O4' | C1' | N9 | 129.4° | 159.4° |
| C4' | O4' | C1' | C2' | 0.7° | 40.4° |
| C4' | O4' | C1' | H1' | 116.0° | 78.5° |
| O4' | C4' | C3' | C2' | 35.5° | 24.1° |
| O4' | C4' | C3' | O3' | 154.4° | 142.8° |
| O4' | C4' | C3' | H3' | 86.7° | 94.6° |
| C3' | C4' | O4' | C1' | 23.0° | 40.5° |
| C4' | C3' | C2' | C1' | 34.5° | 0.1° |
| C4' | C3' | C2' | O2' | 81.0° | 118.8° |
| C4' | C3' | C2' | O3' | 116.8° | 118.7° |
| C4' | C3' | C2' | H3' | 124.0° | 118.7° |
| C4' | C3' | C2' | H2' | 160.4° | 118.6° |
| C4' | C3' | O3' | H3' | 124.5° | 122.6° |
| C4' | C3' | O3' | H3T | 179.9° | 180.0° |
| H4' | C4' | O4' | C1' | 96.5° | 78.4° |
| H4' | C4' | C3' | C2' | 88.0° | 94.8° |
| H4' | C4' | C3' | O3' | 30.9° | 23.9° |
| H4' | C4' | C3' | H3' | 149.9° | 146.5° |
| O4' | C1' | N9 | C2' | 122.6° | 115.5° |
| O4' | C1' | N9 | H1' | 121.8° | 122.3° |
| O4' | C1' | C2' | H1' | 122.1° | 118.9° |
| O4' | C1' | N9 | C4 | 120.3° | 153.0° |
| O4' | C1' | N9 | C8 | 59.1° | 27.1° |
| O4' | C1' | C2' | O2' | 100.1° | 142.6° |
| O4' | C1' | C2' | C3' | 21.7° | 23.9° |
| O4' | C1' | C2' | H2' | 141.9° | 94.7° |
| N9 | C1' | C2' | H1' | 113.8° | 122.2° |
| C1' | N9 | C4 | C8 | 179.5° | 179.9° |
| C1' | N9 | C4 | N3 | 0.3° | 0.1° |
| C1' | N9 | C4 | C5 | 179.2° | 179.8° |
| C1' | N9 | C8 | N7 | 179.4° | 180.0° |
| C1' | N9 | C8 | H8 | 0.6° | 0.0° |
| N9 | C1' | C2' | O2' | 135.8° | 98.5° |
| N9 | C1' | C2' | C3' | 102.4° | 142.8° |
| N9 | C1' | C2' | H2' | 17.7° | 24.2° |
| C2' | C1' | N9 | C4 | 117.2° | 91.5° |
| C2' | C1' | N9 | C8 | 63.5° | 88.5° |
| C1' | C2' | O2' | C3' | 113.1° | 114.7° |
| C1' | C2' | O2' | H2' | 126.0° | 122.7° |
| C1' | C2' | C3' | H2' | 125.8° | 118.5° |
| C1' | C2' | O2' | HO'2 | 180.0° | 176.1° |
| C1' | C2' | C3' | O3' | 151.4° | 118.8° |
| C1' | C2' | C3' | H3' | 89.5° | 118.6° |
| H1' | C1' | N9 | C4 | 1.5° | 30.7° |
| H1' | C1' | N9 | C8 | 179.1° | 149.3° |
| H1' | C1' | C2' | O2' | 22.0° | 23.7° |
| H1' | C1' | C2' | C3' | 143.8° | 95.1° |
| H1' | C1' | C2' | H2' | 96.1° | 146.4° |
| N9 | C4 | N3 | C5 | 179.4° | 179.8° |
| N9 | C4 | N3 | C2 | 179.9° | 179.9° |
| N9 | C4 | C5 | C6 | 179.9° | 179.7° |
| N9 | C4 | C5 | N7 | 0.5° | 0.3° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| C8 | N9 | C4 | N3 | 179.8° | 180.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.2° |
| N9 | C8 | N7 | C5 | 0.3° | 0.2° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.5° |
| N3 | C4 | C5 | N7 | 180.0° | 179.8° |
| C5 | C4 | N3 | C2 | 0.5° | 0.3° |
| C4 | C5 | C6 | N1 | 0.5° | 0.5° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N7 | 179.3° | 179.1° |
| C4 | C5 | N7 | C8 | 0.5° | 0.3° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 179.9° |
| C2 | N1 | C6 | C5 | 0.4° | 0.3° |
| H2 | C2 | N1 | C6 | 179.6° | 180.0° |
| N1 | C6 | N6 | C5 | 179.4° | 179.8° |
| N1 | C6 | N6 | H61 | 180.0° | 0.0° |
| N1 | C6 | N6 | H62 | 54.7° | 179.7° |
| N1 | C6 | C5 | N7 | 179.7° | 179.6° |
| C6 | N6 | H61 | H62 | 125.3° | 179.8° |
| N6 | C6 | C5 | N7 | 0.8° | 0.6° |
| C5 | C6 | N6 | H61 | 0.6° | 179.8° |
| C5 | C6 | N6 | H62 | 124.7° | 0.5° |
| C6 | C5 | N7 | C8 | 179.8° | 179.5° |
| C5 | N7 | C8 | H8 | 179.7° | 179.7° |
| O2' | C2' | C3' | H2' | 118.6° | 122.6° |
| O2' | C2' | C3' | O3' | 35.8° | 0.1° |
| O2' | C2' | C3' | H3' | 155.0° | 122.5° |
| C3' | C2' | O2' | HO'2 | 66.9° | 61.5° |
| C2' | C3' | O3' | H3' | 122.9° | 122.7° |
| C2' | C3' | O3' | H3T | 67.3° | 65.3° |
| H2' | C2' | O2' | HO'2 | 54.0° | 61.1° |
| H2' | C2' | C3' | O3' | 82.8° | 122.7° |
| H2' | C2' | C3' | H3' | 36.3° | 0.1° |
| H3' | C3' | O3' | H3T | 55.6° | 57.4° |
