SFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.49Å | |
| CD | C5' | sing | 1.53Å | 1.53Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| NE | HNE1 | sing | 1.01Å | 1.00Å | |
| NE | HNE2 | sing | 1.01Å | 1.00Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.4° | 111.0° |
| N | CA | C | 110.0° | 109.5° |
| N | CA | CB | 110.0° | 109.4° |
| N | CA | HA | 109.1° | 109.5° |
| HN1 | N | HN2 | 109.4° | 111.1° |
| C | CA | CB | 110.6° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | O | 118.2° | 120.0° |
| CA | C | OXT | 119.0° | 120.0° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | CG | 113.7° | 109.5° |
| CA | CB | HB1 | 108.1° | 109.5° |
| CA | CB | HB2 | 108.1° | 109.5° |
| O | C | OXT | 122.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | HB1 | 108.1° | 109.5° |
| CG | CB | HB2 | 108.1° | 109.5° |
| CB | CG | CD | 115.4° | 109.5° |
| CB | CG | HG1 | 107.5° | 109.5° |
| CB | CG | HG2 | 107.6° | 109.4° |
| HB1 | CB | HB2 | 110.8° | 109.4° |
| CD | CG | HG1 | 107.6° | 109.4° |
| CD | CG | HG2 | 107.5° | 109.5° |
| CG | CD | NE | 110.7° | 109.5° |
| CG | CD | C5' | 106.2° | 109.5° |
| CG | CD | HD | 111.6° | 109.5° |
| HG1 | CG | HG2 | 111.3° | 109.5° |
| NE | CD | C5' | 111.8° | 109.4° |
| NE | CD | HD | 106.1° | 109.5° |
| CD | NE | HNE1 | 109.5° | 111.0° |
| CD | NE | HNE2 | 109.5° | 111.0° |
| C5' | CD | HD | 110.5° | 109.5° |
| CD | C5' | C4' | 120.3° | 109.5° |
| CD | C5' | H5'1 | 106.0° | 109.5° |
| CD | C5' | H5'2 | 106.0° | 109.5° |
| HNE1 | NE | HNE2 | 109.5° | 111.0° |
| C4' | C5' | H5'1 | 106.0° | 109.4° |
| C4' | C5' | H5'2 | 106.0° | 109.5° |
| C5' | C4' | O4' | 111.2° | 109.9° |
| C5' | C4' | C3' | 110.5° | 109.9° |
| C5' | C4' | H4' | 107.1° | 109.8° |
| H5'1 | C5' | H5'2 | 112.7° | 109.5° |
| O4' | C4' | C3' | 107.8° | 107.3° |
| O4' | C4' | H4' | 109.7° | 109.9° |
| C4' | O4' | C1' | 108.6° | 107.0° |
| C3' | C4' | H4' | 110.5° | 110.0° |
| C4' | C3' | O3' | 109.7° | 110.5° |
| C4' | C3' | C2' | 105.0° | 104.2° |
| C4' | C3' | H3' | 112.4° | 110.5° |
| O4' | C1' | C2' | 106.4° | 103.5° |
| O4' | C1' | N9 | 111.5° | 110.6° |
| O4' | C1' | H1' | 110.9° | 110.6° |
| O3' | C3' | C2' | 109.9° | 110.5° |
| O3' | C3' | H3' | 107.7° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 112.2° | 110.6° |
| C3' | C2' | O2' | 110.6° | 110.9° |
| C3' | C2' | C1' | 104.4° | 102.1° |
| C3' | C2' | H2' | 112.7° | 110.9° |
| O2' | C2' | C1' | 111.1° | 110.9° |
| O2' | C2' | H2' | 106.0° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 112.1° | 110.9° |
| C2' | C1' | N9 | 111.5° | 110.6° |
| C2' | C1' | H1' | 110.9° | 110.6° |
| N9 | C1' | H1' | 105.7° | 110.7° |
| C1' | N9 | C8 | 129.7° | 126.3° |
| C1' | N9 | C4 | 126.3° | 126.3° |
| C8 | N9 | C4 | 103.8° | 107.4° |
| N9 | C8 | N7 | 117.0° | 110.0° |
| N9 | C8 | H8 | 121.5° | 125.0° |
| N9 | C4 | C5 | 106.5° | 106.0° |
| N9 | C4 | N3 | 126.3° | 134.9° |
| N7 | C8 | H8 | 121.5° | 125.0° |
| C8 | N7 | C5 | 102.1° | 109.5° |
| N7 | C5 | C6 | 132.2° | 134.7° |
| N7 | C5 | C4 | 110.5° | 107.1° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C5 | C6 | N6 | 122.8° | 120.8° |
| C5 | C6 | N1 | 117.5° | 118.5° |
| C5 | C4 | N3 | 127.0° | 119.1° |
| N6 | C6 | N1 | 119.7° | 120.7° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N1 | C2 | 119.1° | 121.2° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| N1 | C2 | N3 | 129.2° | 122.4° |
| N1 | C2 | H2 | 115.4° | 118.8° |
| N3 | C2 | H2 | 115.4° | 118.7° |
| C2 | N3 | C4 | 110.2° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| N | CA | C | CB | 121.7° | 120.0° |
| N | CA | C | HA | 119.3° | 120.1° |
| N | CA | CB | HA | 119.3° | 120.0° |
| N | CA | C | O | 4.2° | 20.0° |
| N | CA | C | OXT | 175.4° | 160.0° |
| N | CA | CB | CG | 161.1° | 65.0° |
| N | CA | CB | HB1 | 41.1° | 55.0° |
| N | CA | CB | HB2 | 78.9° | 175.0° |
| HN1 | N | CA | C | 180.0° | 59.9° |
| HN1 | N | CA | CB | 58.0° | 60.0° |
| HN1 | N | CA | HA | 61.0° | 180.0° |
| HN2 | N | CA | C | 60.0° | 176.0° |
| HN2 | N | CA | CB | 178.0° | 64.0° |
| HN2 | N | CA | HA | 59.0° | 56.0° |
| C | CA | CB | HA | 119.0° | 120.0° |
| CA | C | O | OXT | 179.6° | 180.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| C | CA | CB | CG | 77.2° | 175.0° |
| C | CA | CB | HB1 | 162.8° | 65.0° |
| C | CA | CB | HB2 | 42.8° | 55.0° |
| CB | CA | C | O | 117.5° | 100.0° |
| CB | CA | C | OXT | 62.9° | 80.0° |
| CA | CB | CG | HB1 | 120.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.2° | 120.0° |
| CA | CB | CG | CD | 161.6° | 180.0° |
| CA | CB | CG | HG1 | 41.6° | 60.0° |
| CA | CB | CG | HG2 | 78.4° | 60.0° |
| HA | CA | C | O | 123.5° | 140.0° |
| HA | CA | C | OXT | 56.1° | 40.0° |
| HA | CA | CB | CG | 41.8° | 55.0° |
| HA | CA | CB | HB1 | 78.2° | 175.1° |
| HA | CA | CB | HB2 | 161.8° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB1 | HB2 | 118.3° | 119.9° |
| CB | CG | CD | HG1 | 120.0° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 117.6° | 120.0° |
| CB | CG | CD | NE | 80.4° | 65.0° |
| CB | CG | CD | C5' | 158.1° | 175.0° |
| CB | CG | CD | HD | 37.5° | 55.0° |
| HB1 | CB | CG | CD | 78.4° | 59.9° |
| HB1 | CB | CG | HG1 | 161.6° | 179.9° |
| HB1 | CB | CG | HG2 | 41.6° | 60.0° |
| HB2 | CB | CG | CD | 41.6° | 60.0° |
| HB2 | CB | CG | HG1 | 78.4° | 60.0° |
| HB2 | CB | CG | HG2 | 161.6° | 180.0° |
| CD | CG | HG1 | HG2 | 117.6° | 120.0° |
| CG | CD | NE | C5' | 118.2° | 120.0° |
| CG | CD | NE | HD | 121.3° | 120.0° |
| CG | CD | C5' | HD | 121.3° | 120.1° |
| CG | CD | NE | HNE1 | 180.0° | 176.0° |
| CG | CD | NE | HNE2 | 60.0° | 60.0° |
| CG | CD | C5' | C4' | 166.4° | 175.0° |
| CG | CD | C5' | H5'1 | 73.6° | 55.0° |
| CG | CD | C5' | H5'2 | 46.4° | 65.0° |
| HG1 | CG | CD | NE | 159.6° | 175.0° |
| HG1 | CG | CD | C5' | 38.1° | 55.0° |
| HG1 | CG | CD | HD | 82.4° | 65.0° |
| HG2 | CG | CD | NE | 39.6° | 55.0° |
| HG2 | CG | CD | C5' | 81.9° | 65.0° |
| HG2 | CG | CD | HD | 157.5° | 174.9° |
| NE | CD | C5' | HD | 117.9° | 120.0° |
| CD | NE | HNE1 | HNE2 | 120.0° | 124.0° |
| NE | CD | C5' | C4' | 45.6° | 65.0° |
| NE | CD | C5' | H5'1 | 165.6° | 175.0° |
| NE | CD | C5' | H5'2 | 74.4° | 55.0° |
| C5' | CD | NE | HNE1 | 61.8° | 64.0° |
| C5' | CD | NE | HNE2 | 58.2° | 60.0° |
| CD | C5' | C4' | H5'1 | 120.0° | 120.0° |
| CD | C5' | C4' | H5'2 | 120.0° | 120.1° |
| CD | C5' | H5'1 | H5'2 | 115.5° | 120.0° |
| CD | C5' | C4' | O4' | 42.1° | 66.4° |
| CD | C5' | C4' | C3' | 161.8° | 175.7° |
| CD | C5' | C4' | H4' | 77.8° | 54.6° |
| HD | CD | NE | HNE1 | 58.7° | 56.0° |
| HD | CD | NE | HNE2 | 178.7° | 180.0° |
| HD | CD | C5' | C4' | 72.3° | 54.9° |
| HD | CD | C5' | H5'1 | 47.6° | 65.0° |
| HD | CD | C5' | H5'2 | 167.7° | 175.0° |
| C4' | C5' | H5'1 | H5'2 | 115.5° | 120.0° |
| C5' | C4' | O4' | C3' | 121.3° | 119.5° |
| C5' | C4' | O4' | H4' | 118.3° | 121.0° |
| C5' | C4' | C3' | H4' | 118.3° | 121.0° |
| C5' | C4' | O4' | C1' | 131.9° | 146.0° |
| C5' | C4' | C3' | O3' | 127.8° | 119.9° |
| C5' | C4' | C3' | C2' | 114.2° | 121.5° |
| C5' | C4' | C3' | H3' | 8.0° | 2.7° |
| H5'1 | C5' | C4' | O4' | 77.9° | 53.6° |
| H5'1 | C5' | C4' | C3' | 41.8° | 64.3° |
| H5'1 | C5' | C4' | H4' | 162.2° | 174.6° |
| H5'2 | C5' | C4' | O4' | 162.1° | 173.6° |
| H5'2 | C5' | C4' | C3' | 78.2° | 55.7° |
| H5'2 | C5' | C4' | H4' | 42.2° | 65.5° |
| O4' | C4' | C3' | H4' | 119.9° | 119.5° |
| O4' | C4' | C3' | O3' | 110.5° | 120.7° |
| O4' | C4' | C3' | C2' | 7.5° | 2.0° |
| O4' | C4' | C3' | H3' | 129.8° | 116.8° |
| C4' | O4' | C1' | C2' | 24.6° | 40.0° |
| C4' | O4' | C1' | N9 | 146.4° | 158.5° |
| C4' | O4' | C1' | H1' | 96.1° | 78.4° |
| C3' | C4' | O4' | C1' | 10.6° | 26.5° |
| C4' | C3' | O3' | C2' | 114.9° | 114.7° |
| C4' | C3' | O3' | H3' | 122.6° | 122.5° |
| C4' | C3' | C2' | H3' | 122.4° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 141.2° | 139.1° |
| C4' | C3' | C2' | C1' | 21.6° | 20.9° |
| C4' | C3' | C2' | H2' | 100.3° | 97.4° |
| H4' | C4' | O4' | C1' | 109.8° | 93.1° |
| H4' | C4' | C3' | O3' | 9.4° | 1.2° |
| H4' | C4' | C3' | C2' | 127.5° | 117.5° |
| H4' | C4' | C3' | H3' | 110.3° | 123.7° |
| O4' | C1' | C2' | C3' | 28.7° | 37.0° |
| O4' | C1' | C2' | O2' | 147.9° | 155.2° |
| O4' | C1' | C2' | N9 | 121.8° | 118.5° |
| O4' | C1' | C2' | H1' | 120.6° | 118.5° |
| O4' | C1' | C2' | H2' | 93.6° | 81.2° |
| O4' | C1' | N9 | H1' | 120.6° | 123.0° |
| O4' | C1' | N9 | C8 | 84.8° | 23.5° |
| O4' | C1' | N9 | C4 | 100.0° | 156.7° |
| O3' | C3' | C2' | H3' | 119.8° | 122.7° |
| O3' | C3' | C2' | O2' | 23.4° | 20.4° |
| O3' | C3' | C2' | C1' | 96.2° | 97.8° |
| O3' | C3' | C2' | H2' | 141.9° | 144.0° |
| C2' | C3' | O3' | HO3' | 65.1° | 65.3° |
| C3' | C2' | O2' | C1' | 115.4° | 112.7° |
| C3' | C2' | O2' | H2' | 122.5° | 123.6° |
| C3' | C2' | C1' | H2' | 122.3° | 118.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 150.5° | 155.5° |
| C3' | C2' | C1' | H1' | 92.0° | 81.5° |
| H3' | C3' | O3' | HO3' | 57.4° | 57.5° |
| H3' | C3' | C2' | O2' | 96.4° | 102.2° |
| H3' | C3' | C2' | C1' | 144.0° | 139.6° |
| H3' | C3' | C2' | H2' | 22.1° | 21.3° |
| O2' | C2' | C1' | H2' | 118.5° | 123.6° |
| O2' | C2' | C1' | N9 | 90.2° | 86.3° |
| O2' | C2' | C1' | H1' | 27.3° | 36.7° |
| C1' | C2' | O2' | HO2' | 64.6° | 174.2° |
| C2' | C1' | N9 | H1' | 120.6° | 122.9° |
| C2' | C1' | N9 | C8 | 34.0° | 90.6° |
| C2' | C1' | N9 | C4 | 141.2° | 89.2° |
| H2' | C2' | O2' | HO2' | 57.5° | 62.1° |
| H2' | C2' | C1' | N9 | 28.3° | 37.3° |
| H2' | C2' | C1' | H1' | 145.8° | 160.3° |
| C1' | N9 | C8 | C4 | 176.0° | 179.8° |
| C1' | N9 | C8 | N7 | 175.6° | 179.9° |
| C1' | N9 | C8 | H8 | 4.4° | 0.1° |
| C1' | N9 | C4 | C5 | 175.7° | 179.8° |
| C1' | N9 | C4 | N3 | 0.8° | 0.8° |
| H1' | C1' | N9 | C8 | 154.7° | 146.5° |
| H1' | C1' | N9 | C4 | 20.6° | 33.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| C8 | N9 | C4 | C5 | 0.5° | 0.4° |
| C8 | N9 | C4 | N3 | 175.4° | 179.4° |
| C4 | N9 | C8 | N7 | 0.4° | 0.2° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 174.8° | 179.8° |
| N9 | C4 | C5 | N3 | 174.8° | 179.2° |
| N9 | C4 | N3 | C2 | 174.0° | 179.6° |
| C8 | N7 | C5 | C6 | 174.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C6 | C4 | 174.0° | 179.7° |
| N7 | C5 | C6 | N6 | 5.2° | 0.0° |
| N7 | C5 | C6 | N1 | 174.1° | 180.0° |
| N7 | C5 | C4 | N3 | 175.3° | 179.6° |
| C5 | C6 | N6 | N1 | 179.3° | 180.0° |
| C5 | C6 | N6 | HN61 | 179.3° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C4 | C5 | C6 | N6 | 179.2° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C5 | C4 | N3 | C2 | 0.1° | 0.6° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.3° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.3° |
| H2 | C2 | N3 | C4 | 179.8° | 179.6° |
