SAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | SE | sing | 1.96Å | 1.95Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| SE | C5' | sing | 1.96Å | 1.90Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.64Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.43Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | 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 | 110.2° | 106.7° |
| CA | N | HN2 | 111.9° | 106.7° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | C | 110.2° | 109.5° |
| N | CA | HA | 108.7° | 109.4° |
| HN1 | N | HN2 | 111.9° | 106.7° |
| CB | CA | C | 110.1° | 109.5° |
| CB | CA | HA | 108.8° | 109.5° |
| CA | CB | CG | 111.5° | 109.6° |
| CA | CB | HB1 | 111.5° | 109.5° |
| CA | CB | HB2 | 111.4° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | C | O | 117.8° | 120.0° |
| CA | C | OXT | 118.6° | 120.0° |
| CG | CB | HB1 | 111.4° | 109.5° |
| CG | CB | HB2 | 111.5° | 109.4° |
| CB | CG | SE | 114.9° | 109.6° |
| CB | CG | HG1 | 110.3° | 109.5° |
| CB | CG | HG2 | 110.3° | 109.5° |
| HB1 | CB | HB2 | 98.9° | 109.4° |
| SE | CG | HG1 | 110.2° | 109.5° |
| SE | CG | HG2 | 110.3° | 109.4° |
| CG | SE | C5' | 96.4° | 95.1° |
| HG1 | CG | HG2 | 99.9° | 109.4° |
| SE | C5' | C4' | 111.2° | 109.5° |
| SE | C5' | H5'1 | 111.6° | 109.5° |
| SE | C5' | H5'2 | 111.6° | 109.5° |
| O | C | OXT | 123.6° | 120.0° |
| C | OXT | HXT | 118.6° | 120.0° |
| C4' | C5' | H5'1 | 111.5° | 109.4° |
| C4' | C5' | H5'2 | 111.5° | 109.4° |
| C5' | C4' | O4' | 102.2° | 109.8° |
| C5' | C4' | C3' | 116.5° | 110.0° |
| C5' | C4' | H4' | 109.0° | 109.9° |
| H5'1 | C5' | H5'2 | 98.8° | 109.4° |
| O4' | C4' | C3' | 106.8° | 107.4° |
| O4' | C4' | H4' | 118.3° | 109.8° |
| C4' | O4' | C1' | 103.4° | 107.0° |
| C3' | C4' | H4' | 104.6° | 109.8° |
| C4' | C3' | O3' | 117.7° | 110.8° |
| C4' | C3' | C2' | 99.8° | 104.0° |
| C4' | C3' | H3' | 112.3° | 110.4° |
| O4' | C1' | C2' | 102.8° | 103.5° |
| O4' | C1' | N9 | 99.1° | 110.7° |
| O4' | C1' | H1' | 124.6° | 110.6° |
| O3' | C3' | C2' | 113.8° | 110.5° |
| O3' | C3' | H3' | 97.9° | 110.5° |
| C3' | O3' | HO3' | 117.7° | 106.8° |
| C2' | C3' | H3' | 116.3° | 110.5° |
| C3' | C2' | O2' | 117.1° | 110.9° |
| C3' | C2' | C1' | 99.8° | 102.1° |
| C3' | C2' | H2' | 114.1° | 111.0° |
| O2' | C2' | C1' | 117.0° | 110.9° |
| O2' | C2' | H2' | 95.7° | 110.8° |
| C2' | O2' | HO2' | 117.1° | 106.8° |
| C1' | C2' | H2' | 114.2° | 110.9° |
| C2' | C1' | N9 | 121.7° | 110.8° |
| C2' | C1' | H1' | 103.5° | 110.6° |
| N9 | C1' | H1' | 106.8° | 110.5° |
| C1' | N9 | C8 | 127.9° | 126.2° |
| C1' | N9 | C4 | 124.7° | 126.3° |
| C8 | N9 | C4 | 107.4° | 107.4° |
| N9 | C8 | N7 | 111.0° | 110.0° |
| N9 | C8 | H8 | 128.5° | 125.0° |
| N9 | C4 | C5 | 104.5° | 106.1° |
| N9 | C4 | N3 | 128.5° | 134.9° |
| N7 | C8 | H8 | 120.5° | 125.0° |
| C8 | N7 | C5 | 105.8° | 109.5° |
| N7 | C5 | C6 | 133.2° | 134.7° |
| N7 | C5 | C4 | 111.4° | 107.1° |
| C6 | C5 | C4 | 115.4° | 118.2° |
| C5 | C6 | N6 | 121.2° | 120.8° |
| C5 | C6 | N1 | 119.3° | 118.4° |
| C5 | C4 | N3 | 127.0° | 119.0° |
| N6 | C6 | N1 | 119.5° | 120.8° |
| C6 | N6 | HN61 | 121.2° | 119.9° |
| C6 | N6 | HN62 | 108.1° | 120.0° |
| C6 | N1 | C2 | 118.1° | 121.2° |
| HN61 | N6 | HN62 | 108.0° | 120.1° |
| N1 | C2 | N3 | 127.9° | 122.4° |
| N1 | C2 | H2 | 116.9° | 118.7° |
| N3 | C2 | H2 | 115.3° | 118.9° |
| C2 | N3 | C4 | 112.3° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 125.3° | 113.7° |
| N | CA | CB | C | 121.8° | 120.0° |
| N | CA | CB | HA | 119.1° | 119.9° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | CB | CG | 58.9° | 60.0° |
| N | CA | CB | HB1 | 66.3° | 60.1° |
| N | CA | CB | HB2 | 175.8° | 180.0° |
| N | CA | C | O | 2.3° | 29.9° |
| N | CA | C | OXT | 179.1° | 150.0° |
| HN1 | N | CA | CB | 180.0° | 60.0° |
| HN1 | N | CA | C | 58.3° | 60.0° |
| HN1 | N | CA | HA | 60.9° | 180.0° |
| HN2 | N | CA | CB | 54.7° | 53.7° |
| HN2 | N | CA | C | 176.4° | 173.8° |
| HN2 | N | CA | HA | 64.4° | 66.2° |
| CB | CA | C | HA | 119.1° | 120.0° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 117.4° | 120.0° |
| CA | CB | CG | SE | 134.8° | 180.0° |
| CA | CB | CG | HG1 | 9.5° | 59.9° |
| CA | CB | CG | HG2 | 99.9° | 60.0° |
| CB | CA | C | O | 119.5° | 90.1° |
| CB | CA | C | OXT | 59.1° | 90.0° |
| C | CA | CB | CG | 179.3° | 180.0° |
| C | CA | CB | HB1 | 55.4° | 60.0° |
| C | CA | CB | HB2 | 54.1° | 59.9° |
| CA | C | O | OXT | 178.5° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 60.2° | 59.9° |
| HA | CA | CB | HB1 | 174.6° | 180.0° |
| HA | CA | CB | HB2 | 65.1° | 60.1° |
| HA | CA | C | O | 121.4° | 149.9° |
| HA | CA | C | OXT | 60.0° | 30.0° |
| CG | CB | HB1 | HB2 | 117.4° | 119.9° |
| CB | CG | SE | HG1 | 125.3° | 120.1° |
| CB | CG | SE | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 116.1° | 120.0° |
| CB | CG | SE | C5' | 178.9° | 180.0° |
| HB1 | CB | CG | SE | 100.0° | 60.0° |
| HB1 | CB | CG | HG1 | 134.7° | 180.0° |
| HB1 | CB | CG | HG2 | 25.3° | 60.1° |
| HB2 | CB | CG | SE | 9.5° | 60.0° |
| HB2 | CB | CG | HG1 | 115.8° | 60.1° |
| HB2 | CB | CG | HG2 | 134.8° | 180.0° |
| SE | CG | HG1 | HG2 | 116.1° | 119.9° |
| CG | SE | C5' | C4' | 70.8° | 180.0° |
| CG | SE | C5' | H5'1 | 54.5° | 60.0° |
| CG | SE | C5' | H5'2 | 164.0° | 60.0° |
| HG1 | CG | SE | C5' | 53.6° | 59.9° |
| HG2 | CG | SE | C5' | 55.8° | 59.9° |
| SE | C5' | C4' | H5'1 | 125.3° | 120.0° |
| SE | C5' | C4' | H5'2 | 125.3° | 120.0° |
| SE | C5' | H5'1 | H5'2 | 117.5° | 120.0° |
| SE | C5' | C4' | O4' | 178.5° | 61.7° |
| SE | C5' | C4' | C3' | 65.5° | 179.7° |
| SE | C5' | C4' | H4' | 52.5° | 59.2° |
| O | C | OXT | HXT | 1.5° | 0.1° |
| C4' | C5' | H5'1 | H5'2 | 117.4° | 119.9° |
| C5' | C4' | O4' | C3' | 122.9° | 119.6° |
| C5' | C4' | O4' | H4' | 119.7° | 121.0° |
| C5' | C4' | C3' | H4' | 120.3° | 121.1° |
| C5' | C4' | O4' | C1' | 154.6° | 146.0° |
| C5' | C4' | C3' | O3' | 122.5° | 119.9° |
| C5' | C4' | C3' | C2' | 113.9° | 121.4° |
| C5' | C4' | C3' | H3' | 10.0° | 2.8° |
| H5'1 | C5' | C4' | O4' | 53.2° | 58.4° |
| H5'1 | C5' | C4' | C3' | 169.2° | 59.7° |
| H5'1 | C5' | C4' | H4' | 72.8° | 179.3° |
| H5'2 | C5' | C4' | O4' | 56.2° | 178.3° |
| H5'2 | C5' | C4' | C3' | 59.8° | 60.3° |
| H5'2 | C5' | C4' | H4' | 177.7° | 60.8° |
| O4' | C4' | C3' | H4' | 126.2° | 119.4° |
| O4' | C4' | C3' | O3' | 124.0° | 120.6° |
| O4' | C4' | C3' | C2' | 0.4° | 1.9° |
| O4' | C4' | C3' | H3' | 123.5° | 116.7° |
| C4' | O4' | C1' | C2' | 51.5° | 40.0° |
| C4' | O4' | C1' | N9 | 177.1° | 158.7° |
| C4' | O4' | C1' | H1' | 65.1° | 78.4° |
| C3' | C4' | O4' | C1' | 31.7° | 26.4° |
| C4' | C3' | O3' | C2' | 116.3° | 114.8° |
| C4' | C3' | O3' | H3' | 120.4° | 122.7° |
| C4' | C3' | C2' | H3' | 121.0° | 118.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.3° |
| C4' | C3' | C2' | O2' | 155.1° | 139.2° |
| C4' | C3' | C2' | C1' | 27.8° | 21.0° |
| C4' | C3' | C2' | H2' | 94.4° | 97.2° |
| H4' | C4' | O4' | C1' | 85.7° | 93.0° |
| H4' | C4' | C3' | O3' | 2.2° | 1.2° |
| H4' | C4' | C3' | C2' | 125.8° | 117.5° |
| H4' | C4' | C3' | H3' | 110.3° | 123.9° |
| O4' | C1' | C2' | C3' | 49.9° | 37.1° |
| O4' | C1' | C2' | O2' | 177.3° | 155.3° |
| O4' | C1' | C2' | N9 | 109.4° | 118.6° |
| O4' | C1' | C2' | H1' | 130.8° | 118.5° |
| O4' | C1' | C2' | H2' | 72.2° | 81.2° |
| O4' | C1' | N9 | H1' | 130.5° | 122.9° |
| O4' | C1' | N9 | C8 | 50.1° | 28.5° |
| O4' | C1' | N9 | C4 | 128.1° | 151.7° |
| O3' | C3' | C2' | H3' | 112.7° | 122.5° |
| O3' | C3' | C2' | O2' | 28.8° | 20.3° |
| O3' | C3' | C2' | C1' | 98.5° | 97.9° |
| O3' | C3' | C2' | H2' | 139.3° | 143.9° |
| C2' | C3' | O3' | HO3' | 63.7° | 61.5° |
| C3' | C2' | O2' | C1' | 118.4° | 112.7° |
| C3' | C2' | O2' | H2' | 120.8° | 123.7° |
| C3' | C2' | C1' | H2' | 122.1° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
| C3' | C2' | C1' | N9 | 159.3° | 155.7° |
| C3' | C2' | C1' | H1' | 80.9° | 81.4° |
| H3' | C3' | O3' | HO3' | 59.7° | 61.0° |
| H3' | C3' | C2' | O2' | 83.9° | 102.3° |
| H3' | C3' | C2' | C1' | 148.8° | 139.5° |
| H3' | C3' | C2' | H2' | 26.6° | 21.3° |
| O2' | C2' | C1' | H2' | 110.5° | 123.5° |
| O2' | C2' | C1' | N9 | 73.3° | 86.1° |
| O2' | C2' | C1' | H1' | 46.5° | 36.8° |
| C1' | C2' | O2' | HO2' | 61.6° | 180.0° |
| C2' | C1' | N9 | H1' | 118.2° | 122.9° |
| C2' | C1' | N9 | C8 | 61.2° | 85.7° |
| C2' | C1' | N9 | C4 | 120.6° | 94.1° |
| H2' | C2' | O2' | HO2' | 59.3° | 56.4° |
| H2' | C2' | C1' | N9 | 37.2° | 37.4° |
| H2' | C2' | C1' | H1' | 157.0° | 160.3° |
| C1' | N9 | C8 | C4 | 178.4° | 179.8° |
| C1' | N9 | C8 | N7 | 178.4° | 180.0° |
| C1' | N9 | C8 | H8 | 1.6° | 0.1° |
| C1' | N9 | C4 | C5 | 178.8° | 179.9° |
| C1' | N9 | C4 | N3 | 2.0° | 0.7° |
| H1' | C1' | N9 | C8 | 179.3° | 151.4° |
| H1' | C1' | N9 | C4 | 2.5° | 28.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.4° | 0.1° |
| C8 | N9 | C4 | C5 | 0.3° | 0.3° |
| C8 | N9 | C4 | N3 | 179.5° | 179.5° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.7° |
| N9 | C4 | C5 | N7 | 0.6° | 0.4° |
| N9 | C4 | C5 | C6 | 179.1° | 179.8° |
| N9 | C4 | C5 | N3 | 179.2° | 179.3° |
| N9 | C4 | N3 | C2 | 179.9° | 179.6° |
| C8 | N7 | C5 | C6 | 178.8° | 179.9° |
| C8 | N7 | C5 | C4 | 0.7° | 0.3° |
| H8 | C8 | N7 | C5 | 179.6° | 179.9° |
| N7 | C5 | C6 | C4 | 178.1° | 179.8° |
| N7 | C5 | C6 | N6 | 1.1° | 0.1° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| C5 | C6 | N6 | N1 | 179.2° | 179.9° |
| C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.0° |
| C5 | C6 | N1 | C2 | 1.1° | 0.1° |
| C6 | C5 | C4 | N3 | 1.7° | 0.5° |
| C4 | C5 | C6 | N6 | 179.2° | 179.7° |
| C4 | C5 | C6 | N1 | 1.6° | 0.2° |
| C5 | C4 | N3 | C2 | 1.1° | 0.6° |
| C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
| N6 | C6 | N1 | C2 | 179.7° | 179.9° |
| N1 | C6 | N6 | HN61 | 0.8° | 0.1° |
| N1 | C6 | N6 | HN62 | 124.4° | 179.9° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| C6 | N1 | C2 | H2 | 179.4° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| H2 | C2 | N3 | C4 | 179.5° | 179.8° |
