SA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| C | OXT | doub | 1.21Å | 1.28Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.47Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | ND | sing | 1.47Å | 1.80Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| ND | CE | sing | 1.47Å | 1.79Å | |
| ND | C5' | sing | 1.47Å | 1.71Å | |
| CE | HE1 | sing | 1.09Å | 1.11Å | |
| CE | HE2 | sing | 1.09Å | 1.12Å | |
| CE | HE3 | sing | 1.09Å | 1.11Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.37Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C6 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 111.4° | 106.7° |
| CA | N | HN2 | 111.6° | 106.8° |
| N | CA | C | 111.6° | 109.5° |
| N | CA | CB | 111.2° | 109.4° |
| N | CA | HA | 106.4° | 109.5° |
| HN1 | N | HN2 | 111.4° | 106.7° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| CA | C | O | 119.2° | 120.0° |
| CA | C | OXT | 114.9° | 120.0° |
| CB | CA | HA | 110.0° | 109.4° |
| CA | CB | CG | 111.9° | 109.5° |
| CA | CB | HB1 | 111.3° | 109.5° |
| CA | CB | HB2 | 111.3° | 109.5° |
| O | C | OXT | 126.0° | 120.0° |
| C | O | HO | 119.2° | 120.0° |
| CG | CB | HB1 | 111.3° | 109.5° |
| CG | CB | HB2 | 111.3° | 109.5° |
| CB | CG | ND | 117.0° | 109.5° |
| CB | CG | HG1 | 109.5° | 109.5° |
| CB | CG | HG2 | 109.4° | 109.5° |
| HB1 | CB | HB2 | 99.1° | 109.4° |
| ND | CG | HG1 | 109.5° | 109.5° |
| ND | CG | HG2 | 109.5° | 109.5° |
| CG | ND | CE | 102.3° | 106.7° |
| CG | ND | C5' | 101.8° | 106.7° |
| HG1 | CG | HG2 | 100.7° | 109.4° |
| CE | ND | C5' | 104.3° | 106.7° |
| ND | CE | HE1 | 114.9° | 109.5° |
| ND | CE | HE2 | 102.3° | 109.5° |
| ND | CE | HE3 | 114.9° | 109.5° |
| ND | C5' | C4' | 114.4° | 109.4° |
| ND | C5' | H5'1 | 110.4° | 109.5° |
| ND | C5' | H5'2 | 110.4° | 109.5° |
| HE1 | CE | HE2 | 114.9° | 109.4° |
| HE1 | CE | HE3 | 95.5° | 109.5° |
| HE2 | CE | HE3 | 115.0° | 109.4° |
| C4' | C5' | H5'1 | 110.4° | 109.5° |
| C4' | C5' | H5'2 | 110.4° | 109.4° |
| C5' | C4' | O4' | 105.4° | 109.8° |
| C5' | C4' | C3' | 113.2° | 109.9° |
| C5' | C4' | H4' | 107.6° | 109.9° |
| H5'1 | C5' | H5'2 | 99.9° | 109.5° |
| O4' | C4' | C3' | 102.0° | 107.4° |
| O4' | C4' | H4' | 117.9° | 109.9° |
| C4' | O4' | C1' | 105.6° | 107.0° |
| C3' | C4' | H4' | 110.8° | 109.9° |
| C4' | C3' | O3' | 104.8° | 110.8° |
| C4' | C3' | C2' | 105.3° | 104.1° |
| C4' | C3' | H3' | 114.9° | 110.5° |
| O4' | C1' | C2' | 104.4° | 103.5° |
| O4' | C1' | N9 | 109.4° | 110.6° |
| O4' | C1' | H1' | 114.9° | 110.6° |
| O3' | C3' | C2' | 109.1° | 110.5° |
| O3' | C3' | H3' | 111.4° | 110.4° |
| C3' | O3' | H2 | 104.8° | 106.8° |
| C2' | C3' | H3' | 111.0° | 110.5° |
| C3' | C2' | O2' | 121.8° | 110.9° |
| C3' | C2' | C1' | 101.1° | 102.1° |
| C3' | C2' | H2' | 110.1° | 111.0° |
| O2' | C2' | C1' | 116.5° | 110.8° |
| O2' | C2' | H2' | 91.9° | 110.8° |
| C2' | O2' | H1 | 121.8° | 106.8° |
| C1' | C2' | H2' | 116.2° | 110.9° |
| C2' | C1' | N9 | 114.9° | 110.8° |
| C2' | C1' | H1' | 109.3° | 110.6° |
| N9 | C1' | H1' | 104.3° | 110.6° |
| C1' | N9 | C8 | 130.0° | 126.3° |
| C1' | N9 | C4 | 123.5° | 126.3° |
| C8 | N9 | C4 | 106.5° | 107.4° |
| N9 | C8 | N7 | 113.5° | 110.0° |
| N9 | C8 | H8 | 125.3° | 125.0° |
| N9 | C4 | C5 | 105.3° | 106.0° |
| N9 | C4 | N3 | 128.0° | 134.9° |
| N7 | C8 | H8 | 121.2° | 125.0° |
| C8 | N7 | C5 | 104.0° | 109.4° |
| N7 | C5 | C6 | 132.7° | 134.6° |
| N7 | C5 | C4 | 110.7° | 107.2° |
| C6 | C5 | C4 | 116.6° | 118.2° |
| C5 | C6 | N6 | 122.1° | 120.8° |
| C5 | C6 | N1 | 118.9° | 118.4° |
| C5 | C4 | N3 | 126.7° | 119.1° |
| N6 | C6 | N1 | 119.1° | 120.8° |
| C6 | N6 | HN61 | 107.7° | 120.0° |
| C6 | N6 | HN62 | 122.1° | 120.0° |
| C6 | N1 | C2 | 118.0° | 121.2° |
| HN61 | N6 | HN62 | 107.8° | 120.0° |
| N1 | C2 | N3 | 127.8° | 122.5° |
| N1 | C2 | H3 | 116.4° | 118.8° |
| N3 | C2 | H3 | 115.8° | 118.8° |
| C2 | N3 | C4 | 112.1° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.4° | 113.8° |
| N | CA | C | CB | 122.6° | 120.0° |
| N | CA | C | HA | 117.6° | 120.0° |
| N | CA | CB | HA | 117.6° | 120.0° |
| N | CA | C | O | 0.6° | 160.0° |
| N | CA | C | OXT | 179.6° | 20.0° |
| N | CA | CB | CG | 13.7° | 65.0° |
| N | CA | CB | HB1 | 139.0° | 175.0° |
| N | CA | CB | HB2 | 111.5° | 55.1° |
| HN1 | N | CA | C | 54.7° | 60.0° |
| HN1 | N | CA | CB | 66.1° | 60.0° |
| HN1 | N | CA | HA | 174.2° | 180.0° |
| HN2 | N | CA | C | 180.0° | 173.8° |
| HN2 | N | CA | CB | 59.1° | 53.7° |
| HN2 | N | CA | HA | 60.6° | 66.2° |
| C | CA | CB | HA | 119.6° | 120.0° |
| CA | C | O | OXT | 179.9° | 180.0° |
| CA | C | O | HO | 180.0° | 179.9° |
| C | CA | CB | CG | 136.6° | 175.0° |
| C | CA | CB | HB1 | 98.2° | 54.9° |
| C | CA | CB | HB2 | 11.3° | 65.0° |
| CB | CA | C | O | 122.1° | 80.0° |
| CB | CA | C | OXT | 57.8° | 100.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 117.2° | 119.9° |
| CA | CB | CG | ND | 179.2° | 180.0° |
| CA | CB | CG | HG1 | 54.0° | 60.0° |
| CA | CB | CG | HG2 | 55.5° | 60.0° |
| HA | CA | C | O | 118.1° | 40.0° |
| HA | CA | C | OXT | 62.0° | 140.0° |
| HA | CA | CB | CG | 103.9° | 55.0° |
| HA | CA | CB | HB1 | 21.4° | 65.0° |
| HA | CA | CB | HB2 | 130.9° | 175.0° |
| OXT | C | O | HO | 0.1° | 0.0° |
| CG | CB | HB1 | HB2 | 117.2° | 120.0° |
| CB | CG | ND | HG1 | 125.2° | 120.0° |
| CB | CG | ND | HG2 | 125.2° | 120.0° |
| CB | CG | HG1 | HG2 | 115.2° | 120.0° |
| CB | CG | ND | CE | 72.5° | 76.2° |
| CB | CG | ND | C5' | 179.8° | 170.0° |
| HB1 | CB | CG | ND | 55.5° | 60.0° |
| HB1 | CB | CG | HG1 | 179.2° | 180.0° |
| HB1 | CB | CG | HG2 | 69.8° | 60.0° |
| HB2 | CB | CG | ND | 54.0° | 60.0° |
| HB2 | CB | CG | HG1 | 71.3° | 60.0° |
| HB2 | CB | CG | HG2 | 179.2° | NaN° |
| ND | CG | HG1 | HG2 | 115.3° | 120.0° |
| CG | ND | CE | C5' | 105.8° | 113.8° |
| CG | ND | CE | HE1 | 54.8° | 180.0° |
| CG | ND | CE | HE2 | 180.0° | 60.0° |
| CG | ND | CE | HE3 | 54.7° | 60.0° |
| CG | ND | C5' | C4' | 75.0° | 170.0° |
| CG | ND | C5' | H5'1 | 159.7° | 50.0° |
| CG | ND | C5' | H5'2 | 50.3° | 70.1° |
| HG1 | CG | ND | CE | 52.8° | 43.8° |
| HG1 | CG | ND | C5' | 54.9° | 70.0° |
| HG2 | CG | ND | CE | 162.3° | 163.7° |
| HG2 | CG | ND | C5' | 54.6° | 49.9° |
| ND | CE | HE1 | HE2 | 118.4° | 120.0° |
| ND | CE | HE1 | HE3 | 120.8° | 120.0° |
| ND | CE | HE2 | HE3 | 125.3° | 120.0° |
| CE | ND | C5' | C4' | 178.8° | 76.2° |
| CE | ND | C5' | H5'1 | 53.6° | 163.7° |
| CE | ND | C5' | H5'2 | 55.9° | 43.7° |
| C5' | ND | CE | HE1 | 160.6° | 66.2° |
| C5' | ND | CE | HE2 | 74.2° | 53.8° |
| C5' | ND | CE | HE3 | 51.1° | 173.8° |
| ND | C5' | C4' | H5'1 | 125.3° | 120.1° |
| ND | C5' | C4' | H5'2 | 125.3° | 120.0° |
| ND | C5' | H5'1 | H5'2 | 116.3° | 120.0° |
| ND | C5' | C4' | O4' | 176.4° | 66.7° |
| ND | C5' | C4' | C3' | 73.0° | 175.3° |
| ND | C5' | C4' | H4' | 49.8° | 54.3° |
| HE1 | CE | HE2 | HE3 | 109.5° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 116.2° | 120.0° |
| C5' | C4' | O4' | C3' | 118.4° | 119.5° |
| C5' | C4' | O4' | H4' | 120.1° | 121.0° |
| C5' | C4' | C3' | H4' | 121.0° | 121.0° |
| C5' | C4' | O4' | C1' | 162.0° | 145.9° |
| C5' | C4' | C3' | O3' | 110.3° | 119.9° |
| C5' | C4' | C3' | C2' | 134.6° | 121.4° |
| C5' | C4' | C3' | H3' | 12.2° | 2.8° |
| H5'1 | C5' | C4' | O4' | 58.3° | 53.3° |
| H5'1 | C5' | C4' | C3' | 52.3° | 64.7° |
| H5'1 | C5' | C4' | H4' | 175.0° | 174.3° |
| H5'2 | C5' | C4' | O4' | 51.1° | 173.3° |
| H5'2 | C5' | C4' | C3' | 161.8° | 55.3° |
| H5'2 | C5' | C4' | H4' | 75.5° | 65.7° |
| O4' | C4' | C3' | H4' | 126.3° | 119.5° |
| O4' | C4' | C3' | O3' | 136.9° | 120.7° |
| O4' | C4' | C3' | C2' | 21.8° | 1.9° |
| O4' | C4' | C3' | H3' | 100.5° | 116.7° |
| C4' | O4' | C1' | C2' | 47.8° | 40.1° |
| C4' | O4' | C1' | N9 | 171.2° | 158.7° |
| C4' | O4' | C1' | H1' | 71.9° | 78.4° |
| C3' | C4' | O4' | C1' | 43.6° | 26.5° |
| C4' | C3' | O3' | C2' | 112.3° | 114.8° |
| C4' | C3' | O3' | H3' | 124.8° | 122.7° |
| C4' | C3' | C2' | H3' | 124.8° | 118.6° |
| C4' | C3' | O3' | H2 | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 135.5° | 139.1° |
| C4' | C3' | C2' | C1' | 4.4° | 21.0° |
| C4' | C3' | C2' | H2' | 119.0° | 97.2° |
| H4' | C4' | O4' | C1' | 77.9° | 93.1° |
| H4' | C4' | C3' | O3' | 10.6° | 1.1° |
| H4' | C4' | C3' | C2' | 104.4° | 117.6° |
| H4' | C4' | C3' | H3' | 133.2° | 123.8° |
| O4' | C1' | C2' | C3' | 30.9° | 37.1° |
| O4' | C1' | C2' | O2' | 165.1° | 155.3° |
| O4' | C1' | C2' | N9 | 119.8° | 118.5° |
| O4' | C1' | C2' | H1' | 123.4° | 118.5° |
| O4' | C1' | C2' | H2' | 88.3° | 81.2° |
| O4' | C1' | N9 | H1' | 123.4° | 122.9° |
| O4' | C1' | N9 | C8 | 60.9° | 23.6° |
| O4' | C1' | N9 | C4 | 118.3° | 156.8° |
| O3' | C3' | C2' | H3' | 123.1° | 122.5° |
| O3' | C3' | C2' | O2' | 23.4° | 20.2° |
| O3' | C3' | C2' | C1' | 107.6° | 97.9° |
| O3' | C3' | C2' | H2' | 128.9° | 143.8° |
| C2' | C3' | O3' | H2 | 67.7° | 61.4° |
| C3' | C2' | O2' | C1' | 124.2° | 112.7° |
| C3' | C2' | O2' | H2' | 115.2° | 123.8° |
| C3' | C2' | C1' | H2' | 119.1° | 118.3° |
| C3' | C2' | O2' | H1 | 180.0° | 67.3° |
| C3' | C2' | C1' | N9 | 150.7° | 155.6° |
| C3' | C2' | C1' | H1' | 92.5° | 81.4° |
| H3' | C3' | O3' | H2 | 55.2° | 61.1° |
| H3' | C3' | C2' | O2' | 99.7° | 102.3° |
| H3' | C3' | C2' | C1' | 129.3° | 139.6° |
| H3' | C3' | C2' | H2' | 5.9° | 21.4° |
| O2' | C2' | C1' | H2' | 106.6° | 123.5° |
| O2' | C2' | C1' | N9 | 75.1° | 86.2° |
| O2' | C2' | C1' | H1' | 41.7° | 36.8° |
| C1' | C2' | O2' | H1 | 55.8° | 180.0° |
| C2' | C1' | N9 | H1' | 119.7° | 123.0° |
| C2' | C1' | N9 | C8 | 56.0° | 90.5° |
| C2' | C1' | N9 | C4 | 124.7° | 89.1° |
| H2' | C2' | O2' | H1 | 64.8° | 56.4° |
| H2' | C2' | C1' | N9 | 31.5° | 37.3° |
| H2' | C2' | C1' | H1' | 148.4° | 160.3° |
| C1' | N9 | C8 | C4 | 179.4° | 179.7° |
| C1' | N9 | C8 | N7 | 179.6° | 180.0° |
| C1' | N9 | C8 | H8 | 0.4° | 0.1° |
| C1' | N9 | C4 | C5 | 179.8° | 179.9° |
| C1' | N9 | C4 | N3 | 0.6° | 0.8° |
| H1' | C1' | N9 | C8 | 175.7° | 146.5° |
| H1' | C1' | N9 | C4 | 5.0° | 33.9° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C4 | N9 | C8 | N7 | 0.3° | 0.3° |
| C4 | N9 | C8 | H8 | 179.7° | 179.8° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | C6 | 179.7° | 179.8° |
| N9 | C4 | C5 | N3 | 179.7° | 179.3° |
| N9 | C4 | N3 | C2 | 179.8° | 179.5° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 179.7° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.7° |
| C5 | C6 | N6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN61 | 54.7° | 0.0° |
| C5 | C6 | N6 | HN62 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.5° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C5 | C4 | N3 | C2 | 0.2° | 0.5° |
| C6 | N6 | HN61 | HN62 | 133.4° | 179.9° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 125.4° | 180.0° |
| N1 | C6 | N6 | HN62 | 0.2° | 0.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| C6 | N1 | C2 | H3 | 179.9° | 180.0° |
| N1 | C2 | N3 | H3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.2° |
| H3 | C2 | N3 | C4 | 179.7° | 179.8° |
