SDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OG | CG | sing | 1.43Å | 1.42Å | |
| CD | CG | sing | 1.55Å | 1.53Å | |
| CD | N6 | sing | 1.48Å | 1.47Å | |
| CG | CB | sing | 1.55Å | 1.54Å | |
| O2P | P | sing | 1.72Å | 1.48Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N6 | CA | sing | 1.47Å | 1.46Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| CB | OB | sing | 1.43Å | 1.42Å | |
| CB | CA | sing | 1.54Å | 1.53Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.54Å | |
| P | O5' | sing | 1.72Å | 1.62Å | |
| P | O1P | sing | 1.72Å | 1.49Å | |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O1P | H1 | sing | 0.97Å | 0.95Å | |
| O2P | H3 | sing | 0.97Å | 0.95Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OG | HOG | sing | 0.97Å | 0.95Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| O3' | H4 | sing | 0.97Å | 0.95Å | |
| P | O3P | sing | 1.72Å | 19.33Å | |
| P | H5 | sing | 1.47Å | 19.33Å | |
| O3P | H6 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OG | CG | CD | 112.7° | 111.0° |
| OG | CG | CB | 110.9° | 111.0° |
| OG | CG | HG | 111.5° | 110.9° |
| CG | OG | HOG | 109.5° | 114.0° |
| CG | CD | N6 | 102.3° | 104.8° |
| CD | CG | CB | 101.6° | 101.6° |
| CD | CG | HG | 109.9° | 111.0° |
| CG | CD | HD1 | 111.2° | 110.3° |
| CG | CD | HD2 | 111.2° | 110.4° |
| CD | N6 | C6 | 123.9° | 111.0° |
| CD | N6 | CA | 112.8° | 108.6° |
| N6 | CD | HD1 | 111.2° | 110.4° |
| N6 | CD | HD2 | 111.2° | 110.4° |
| CG | CB | OB | 112.5° | 110.7° |
| CG | CB | CA | 102.8° | 103.1° |
| CG | CB | HB | 109.8° | 110.9° |
| CB | CG | HG | 109.8° | 111.0° |
| O2P | P | O5' | 108.4° | 120.0° |
| O2P | P | O1P | 118.9° | 90.0° |
| P | O2P | H3 | 109.5° | 114.0° |
| O2P | P | O3P | 43.3° | 90.0° |
| O2P | P | H5 | 43.3° | 120.0° |
| C8 | N7 | C5 | 103.0° | 109.4° |
| N7 | C8 | N9 | 114.5° | 110.0° |
| N7 | C8 | H8 | 122.7° | 125.0° |
| N7 | C5 | C6 | 133.9° | 134.7° |
| N7 | C5 | C4 | 111.1° | 107.1° |
| C8 | N9 | C4 | 105.2° | 107.5° |
| C8 | N9 | C1' | 129.0° | 126.3° |
| N9 | C8 | H8 | 122.7° | 125.0° |
| C6 | N6 | CA | 123.3° | 111.0° |
| N6 | C6 | C5 | 124.3° | 120.8° |
| N6 | C6 | N1 | 116.2° | 120.8° |
| N6 | CA | CB | 102.2° | 107.2° |
| N6 | CA | HA2 | 111.3° | 109.9° |
| N6 | CA | HA1 | 111.2° | 109.9° |
| C1' | C2' | C3' | 104.4° | 104.2° |
| C2' | C1' | N9 | 114.3° | 110.0° |
| C2' | C1' | O4' | 107.9° | 107.3° |
| C2' | C1' | H1' | 108.1° | 109.9° |
| C1' | C2' | H2'2 | 110.7° | 110.5° |
| C1' | C2' | H2'1 | 110.8° | 110.5° |
| C2' | C3' | O3' | 114.5° | 110.9° |
| C2' | C3' | C4' | 102.1° | 102.1° |
| C2' | C3' | H3' | 109.8° | 111.0° |
| C3' | C2' | H2'2 | 110.7° | 110.5° |
| C3' | C2' | H2'1 | 110.7° | 110.5° |
| C6 | C5 | C4 | 115.0° | 118.2° |
| C5 | C6 | N1 | 119.4° | 118.4° |
| C5 | C4 | N9 | 106.0° | 106.0° |
| C5 | C4 | N3 | 127.2° | 119.1° |
| OB | CB | CA | 110.0° | 110.7° |
| OB | CB | HB | 111.4° | 110.6° |
| CB | OB | HOB | 109.5° | 114.0° |
| CB | CA | HA2 | 111.2° | 109.9° |
| CB | CA | HA1 | 111.3° | 110.0° |
| CA | CB | HB | 109.9° | 110.7° |
| C6 | N1 | C2 | 118.7° | 121.2° |
| C4 | N9 | C1' | 125.6° | 126.2° |
| N9 | C4 | N3 | 126.7° | 135.0° |
| N9 | C1' | O4' | 108.1° | 109.9° |
| N9 | C1' | H1' | 108.8° | 109.9° |
| C4 | N3 | C2 | 111.4° | 120.7° |
| N1 | C2 | N3 | 128.2° | 122.4° |
| N1 | C2 | H2 | 115.9° | 118.8° |
| C1' | O4' | C4' | 110.1° | 107.0° |
| O4' | C1' | H1' | 109.6° | 109.9° |
| O3' | C3' | C4' | 108.9° | 110.9° |
| O3' | C3' | H3' | 111.4° | 110.8° |
| C3' | O3' | H4 | 109.5° | 114.0° |
| C3' | C4' | O4' | 108.0° | 103.5° |
| C3' | C4' | C5' | 114.8° | 110.6° |
| C3' | C4' | H4' | 107.4° | 110.8° |
| C4' | C3' | H3' | 109.7° | 110.9° |
| O5' | P | O1P | 109.4° | 90.0° |
| P | O5' | C5' | 122.3° | 114.0° |
| O5' | P | O3P | 82.9° | 90.0° |
| O5' | P | H5 | 82.9° | 120.0° |
| P | O1P | H1 | 109.5° | 114.0° |
| O1P | P | O3P | 162.0° | 180.0° |
| O1P | P | H5 | 162.0° | 90.0° |
| N3 | C2 | H2 | 115.9° | 118.8° |
| O5' | C5' | C4' | 113.8° | 109.5° |
| O5' | C5' | H5'2 | 108.4° | 109.5° |
| O5' | C5' | H5'1 | 108.4° | 109.5° |
| O4' | C4' | C5' | 110.2° | 110.6° |
| O4' | C4' | H4' | 108.9° | 110.6° |
| C4' | C5' | H5'2 | 108.4° | 109.4° |
| C4' | C5' | H5'1 | 108.4° | 109.4° |
| C5' | C4' | H4' | 107.4° | 110.5° |
| H5'2 | C5' | H5'1 | 109.5° | 109.5° |
| HA2 | CA | HA1 | 109.5° | 109.9° |
| HD1 | CD | HD2 | 109.4° | 110.4° |
| H2'2 | C2' | H2'1 | 109.5° | 110.5° |
| O3P | P | H5 | 0.0° | 90.0° |
| P | O3P | H6 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OG | CG | CD | CB | 118.7° | 118.2° |
| OG | CG | CD | HG | 125.0° | 123.8° |
| OG | CG | CD | N6 | 153.7° | 155.2° |
| OG | CG | CB | HG | 123.7° | 123.8° |
| OG | CG | CB | OB | 78.9° | 87.8° |
| OG | CG | CB | CA | 162.8° | 153.8° |
| OG | CG | CB | HB | 45.8° | 35.3° |
| OG | CG | CD | HD1 | 87.4° | 36.4° |
| OG | CG | CD | HD2 | 34.9° | 86.0° |
| CG | CD | N6 | HD1 | 118.9° | 118.8° |
| CG | CD | N6 | HD2 | 118.9° | 118.8° |
| CD | CG | CB | HG | 116.4° | 118.0° |
| CG | CD | N6 | C6 | 164.0° | 146.4° |
| CG | CD | N6 | CA | 15.2° | 24.1° |
| CD | CG | CB | OB | 161.1° | 154.0° |
| CD | CG | CB | CA | 42.8° | 35.6° |
| CD | CG | CB | HB | 74.1° | 82.9° |
| CD | CG | OG | HOG | 180.0° | 67.7° |
| CG | CD | HD1 | HD2 | 123.3° | 122.3° |
| N6 | CD | CG | CB | 35.1° | 37.0° |
| CD | N6 | C6 | CA | 179.0° | 120.9° |
| CD | N6 | C6 | C5 | 64.4° | 59.1° |
| CD | N6 | CA | CB | 11.4° | 1.0° |
| CD | N6 | C6 | N1 | 119.9° | 120.9° |
| CD | N6 | CA | HA2 | 107.4° | 120.4° |
| CD | N6 | CA | HA1 | 130.2° | 118.6° |
| N6 | CD | CG | HG | 81.2° | 81.0° |
| N6 | CD | HD1 | HD2 | 123.3° | 122.3° |
| CG | CB | CA | N6 | 33.2° | 22.3° |
| CG | CB | OB | CA | 114.0° | 113.6° |
| CG | CB | OB | HB | 123.8° | 123.3° |
| CG | CB | CA | HB | 116.9° | 118.6° |
| CG | CB | CA | HA2 | 85.6° | 97.1° |
| CG | CB | CA | HA1 | 152.0° | 141.7° |
| CG | CB | OB | HOB | 180.0° | 175.1° |
| CB | CG | OG | HOG | 66.9° | 180.0° |
| CB | CG | CD | HD1 | 153.9° | 81.8° |
| CB | CG | CD | HD2 | 83.8° | 155.9° |
| O2P | P | O5' | O1P | 131.1° | 90.0° |
| O2P | P | O5' | O3P | 35.4° | 90.0° |
| O2P | P | O5' | H5 | 35.4° | 180.0° |
| O2P | P | O1P | O3P | 6.4° | 10.6° |
| O2P | P | O1P | H5 | 6.4° | 120.0° |
| O2P | P | O5' | C5' | 169.2° | 0.0° |
| O2P | P | O1P | H1 | 180.0° | 122.3° |
| O2P | P | O3P | H5 | 90.0° | 120.0° |
| O2P | P | O3P | H6 | 90.0° | 60.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 178.7° | 179.9° |
| C8 | N7 | C5 | C4 | 0.8° | 0.0° |
| N7 | C8 | N9 | C4 | 2.5° | 0.0° |
| N7 | C8 | N9 | C1' | 173.9° | 179.7° |
| C5 | N7 | C8 | N9 | 1.1° | 0.0° |
| N7 | C5 | C6 | N6 | 4.1° | 0.0° |
| N7 | C5 | C6 | C4 | 179.4° | 179.9° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| N7 | C5 | C4 | N9 | 2.2° | 0.0° |
| N7 | C5 | C4 | N3 | 178.6° | 180.0° |
| C5 | N7 | C8 | H8 | 179.0° | 180.0° |
| C8 | N9 | C1' | C2' | 43.1° | 94.0° |
| C8 | N9 | C4 | C5 | 2.7° | 0.0° |
| C8 | N9 | C4 | C1' | 176.6° | 179.7° |
| C8 | N9 | C4 | N3 | 178.1° | 180.0° |
| C8 | N9 | C1' | O4' | 77.0° | 23.9° |
| C8 | N9 | C1' | H1' | 164.0° | 144.9° |
| N6 | C6 | C5 | N1 | 175.6° | 180.0° |
| N6 | C6 | C5 | C4 | 175.3° | 180.0° |
| C6 | N6 | CA | CB | 169.5° | 123.2° |
| N6 | C6 | N1 | C2 | 176.9° | 179.9° |
| C6 | N6 | CA | HA2 | 71.7° | 117.3° |
| C6 | N6 | CA | HA1 | 50.6° | 3.7° |
| C6 | N6 | CD | HD1 | 45.1° | 27.6° |
| C6 | N6 | CD | HD2 | 77.2° | 94.8° |
| CA | N6 | C6 | C5 | 116.6° | 180.0° |
| N6 | CA | CB | OB | 153.3° | 140.7° |
| N6 | CA | CB | HA2 | 118.9° | 119.4° |
| N6 | CA | CB | HA1 | 118.8° | 119.4° |
| CA | N6 | C6 | N1 | 59.2° | 0.0° |
| N6 | CA | HA2 | HA1 | 123.3° | 121.0° |
| N6 | CA | CB | HB | 83.6° | 96.3° |
| CA | N6 | CD | HD1 | 134.0° | 94.7° |
| CA | N6 | CD | HD2 | 103.7° | 142.9° |
| C1' | C2' | C3' | H2'2 | 119.2° | 118.7° |
| C1' | C2' | C3' | H2'1 | 119.2° | 118.7° |
| C2' | C1' | N9 | C4 | 141.2° | 85.6° |
| C2' | C1' | N9 | O4' | 120.1° | 117.9° |
| C2' | C1' | N9 | H1' | 120.9° | 121.1° |
| C2' | C1' | O4' | H1' | 117.5° | 119.4° |
| C1' | C2' | C3' | O3' | 91.3° | 139.1° |
| C1' | C2' | C3' | C4' | 26.2° | 20.9° |
| C2' | C1' | O4' | C4' | 3.3° | 26.5° |
| C1' | C2' | C3' | H3' | 142.5° | 97.3° |
| C1' | C2' | H2'2 | H2'1 | 122.4° | 122.6° |
| C3' | C2' | C1' | N9 | 139.6° | 121.5° |
| C3' | C2' | C1' | O4' | 19.3° | 2.0° |
| C2' | C3' | O3' | C4' | 113.6° | 112.7° |
| C2' | C3' | O3' | H3' | 125.3° | 123.7° |
| C2' | C3' | C4' | H3' | 116.4° | 118.3° |
| C2' | C3' | C4' | O4' | 25.4° | 37.0° |
| C2' | C3' | C4' | C5' | 97.9° | 155.5° |
| C2' | C3' | C4' | H4' | 142.7° | 81.5° |
| C3' | C2' | C1' | H1' | 99.2° | 117.4° |
| C3' | C2' | H2'2 | H2'1 | 122.3° | 122.6° |
| C2' | C3' | O3' | H4 | 180.0° | 67.2° |
| C6 | C5 | C4 | N9 | 177.3° | 180.0° |
| C6 | C5 | C4 | N3 | 1.9° | 0.0° |
| C5 | C6 | N1 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C5 | C4 | N9 | N3 | 179.2° | 180.0° |
| C5 | C4 | N9 | C1' | 173.9° | 179.7° |
| C5 | C4 | N3 | C2 | 1.9° | 0.0° |
| OB | CB | CA | HB | 123.1° | 123.0° |
| OB | CB | CA | HA2 | 34.4° | 21.3° |
| OB | CB | CA | HA1 | 87.9° | 99.9° |
| OB | CB | CG | HG | 44.7° | 36.0° |
| CB | CA | HA2 | HA1 | 123.4° | 121.2° |
| CA | CB | OB | HOB | 66.0° | 61.5° |
| CA | CB | CG | HG | 73.6° | 82.4° |
| C6 | N1 | C2 | N3 | 0.9° | 0.1° |
| C6 | N1 | C2 | H2 | 179.1° | 180.0° |
| C4 | N9 | C1' | O4' | 98.7° | 156.5° |
| N9 | C4 | N3 | C2 | 177.1° | 180.0° |
| C4 | N9 | C1' | H1' | 20.3° | 35.5° |
| C4 | N9 | C8 | H8 | 177.6° | 180.0° |
| C1' | N9 | C4 | N3 | 5.4° | 0.3° |
| N9 | C1' | O4' | H1' | 118.4° | 121.0° |
| N9 | C1' | O4' | C4' | 127.3° | 146.1° |
| C1' | N9 | C8 | H8 | 6.0° | 0.3° |
| N9 | C1' | C2' | H2'2 | 101.2° | 119.8° |
| N9 | C1' | C2' | H2'1 | 20.4° | 2.8° |
| C4 | N3 | C2 | N1 | 0.4° | 0.1° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| C1' | O4' | C4' | C3' | 14.3° | 40.1° |
| C1' | O4' | C4' | C5' | 111.8° | 158.6° |
| C1' | O4' | C4' | H4' | 130.6° | 78.6° |
| O4' | C1' | C2' | H2'2 | 138.5° | 120.7° |
| O4' | C1' | C2' | H2'1 | 99.9° | 116.6° |
| O3' | C3' | C4' | H3' | 122.1° | 123.5° |
| O3' | C3' | C4' | O4' | 96.0° | 155.3° |
| O3' | C3' | C4' | C5' | 140.6° | 86.2° |
| O3' | C3' | C4' | H4' | 21.3° | 36.7° |
| O3' | C3' | C2' | H2'2 | 27.8° | 20.4° |
| O3' | C3' | C2' | H2'1 | 149.5° | 102.3° |
| C3' | C4' | C5' | O5' | 40.4° | 179.5° |
| C3' | C4' | O4' | C5' | 126.1° | 118.5° |
| C3' | C4' | O4' | H4' | 116.4° | 118.7° |
| C3' | C4' | C5' | H4' | 119.4° | 123.1° |
| C3' | C4' | C5' | H5'2 | 80.3° | 60.5° |
| C3' | C4' | C5' | H5'1 | 161.0° | 59.5° |
| C4' | C3' | C2' | H2'2 | 145.4° | 97.8° |
| C4' | C3' | C2' | H2'1 | 93.0° | 139.5° |
| C4' | C3' | O3' | H4 | 66.4° | 180.0° |
| O5' | P | O1P | O3P | 131.6° | 109.3° |
| O5' | P | O1P | H5 | 131.6° | 120.0° |
| P | O5' | C5' | C4' | 160.9° | 177.7° |
| O5' | P | O1P | H1 | 54.7° | 117.7° |
| O5' | P | O2P | H3 | 180.0° | 90.0° |
| P | O5' | C5' | H5'2 | 78.5° | 62.4° |
| P | O5' | C5' | H5'1 | 40.3° | 57.7° |
| O5' | P | O3P | H5 | 90.0° | 120.0° |
| O5' | P | O3P | H6 | 90.0° | 179.9° |
| O1P | P | O5' | C5' | 38.1° | 90.0° |
| O1P | P | O2P | H3 | 54.3° | 180.0° |
| O1P | P | O3P | H5 | 90.0° | 130.7° |
| O1P | P | O3P | H6 | 90.0° | 70.6° |
| O5' | C5' | C4' | O4' | 81.9° | 66.4° |
| O5' | C5' | C4' | H5'2 | 120.6° | 120.0° |
| O5' | C5' | C4' | H5'1 | 120.6° | 120.0° |
| O5' | C5' | H5'2 | H5'1 | 118.0° | 120.1° |
| O5' | C5' | C4' | H4' | 159.7° | 56.4° |
| C5' | O5' | P | O3P | 155.3° | 90.0° |
| C5' | O5' | P | H5 | 155.3° | 180.0° |
| O4' | C4' | C5' | H4' | 118.4° | 122.8° |
| O4' | C4' | C5' | H5'2 | 157.5° | 53.5° |
| O4' | C4' | C5' | H5'1 | 38.7° | 173.6° |
| C4' | O4' | C1' | H1' | 114.3° | 92.9° |
| O4' | C4' | C3' | H3' | 141.9° | 81.2° |
| C4' | C5' | H5'2 | H5'1 | 118.1° | 120.0° |
| C5' | C4' | C3' | H3' | 18.5° | 37.3° |
| H1 | O1P | P | O3P | 173.6° | 133.0° |
| H1 | O1P | P | H5 | 173.6° | 2.3° |
| H3 | O2P | P | O3P | 122.9° | 0.0° |
| H3 | O2P | P | H5 | 122.9° | 90.0° |
| H5'2 | C5' | C4' | H4' | 39.1° | 176.3° |
| H5'1 | C5' | C4' | H4' | 79.7° | 63.6° |
| H4' | C4' | C3' | H3' | 100.8° | 160.2° |
| H1' | C1' | C2' | H2'2 | 20.0° | 1.3° |
| H1' | C1' | C2' | H2'1 | 141.6° | 123.9° |
| HA2 | CA | CB | HB | 157.5° | 144.3° |
| HA1 | CA | CB | HB | 35.2° | 23.1° |
| HB | CB | OB | HOB | 56.2° | 61.6° |
| HB | CB | CG | HG | 169.5° | 159.1° |
| HG | CG | OG | HOG | 55.8° | 56.2° |
| HG | CG | CD | HD1 | 37.6° | 160.1° |
| HG | CG | CD | HD2 | 159.9° | 37.8° |
| H3' | C3' | C2' | H2'2 | 98.3° | 144.0° |
| H3' | C3' | C2' | H2'1 | 23.3° | 21.3° |
| H3' | C3' | O3' | H4 | 54.7° | 56.4° |
| H5 | P | O3P | H6 | 90.0° | 60.0° |
