0XU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.37Å | |
| NE | CD | sing | 1.47Å | 1.48Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CD | C5' | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C5' | C4' | doub | 1.32Å | 1.33Å | |
| C4' | O4' | sing | 1.36Å | 1.38Å | |
| C4' | C3' | sing | 1.52Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| OXT | H5 | sing | 0.97Å | 0.95Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| NE | H11 | sing | 1.01Å | 1.00Å | |
| NE | H12 | sing | 1.01Å | 1.00Å | |
| C5' | H14 | sing | 1.08Å | 1.08Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| C1' | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 123.7° | 120.0° |
| O | C | CA | 111.5° | 120.1° |
| NE | CD | CG | 115.2° | 109.5° |
| NE | CD | C5' | 109.6° | 109.5° |
| NE | CD | H10 | 108.1° | 109.4° |
| CD | NE | H11 | 109.5° | 111.0° |
| CD | NE | H12 | 109.4° | 111.0° |
| CD | CG | CB | 110.0° | 109.5° |
| CG | CD | C5' | 108.4° | 109.5° |
| CD | CG | H8 | 109.4° | 109.4° |
| CD | CG | H9 | 109.3° | 109.5° |
| CG | CD | H10 | 107.4° | 109.5° |
| CG | CB | CA | 117.5° | 109.5° |
| CG | CB | H6 | 107.4° | 109.5° |
| CG | CB | H7 | 107.4° | 109.5° |
| CB | CG | H8 | 109.3° | 109.4° |
| CB | CG | H9 | 109.4° | 109.5° |
| OXT | C | CA | 124.8° | 120.0° |
| C | OXT | H5 | 109.5° | 117.0° |
| C | CA | N | 110.5° | 109.5° |
| C | CA | CB | 113.7° | 109.5° |
| C | CA | H4 | 105.4° | 109.5° |
| N | CA | CB | 115.4° | 109.4° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 105.8° | 109.4° |
| CD | C5' | C4' | 130.1° | 120.0° |
| C5' | CD | H10 | 107.9° | 109.5° |
| CD | C5' | H14 | 114.9° | 120.0° |
| CB | CA | H4 | 105.1° | 109.5° |
| CA | CB | H6 | 107.5° | 109.5° |
| CA | CB | H7 | 107.4° | 109.4° |
| C5' | C4' | O4' | 118.1° | 125.6° |
| C5' | C4' | C3' | 129.4° | 125.6° |
| C4' | C5' | H14 | 114.9° | 120.0° |
| O4' | C4' | C3' | 112.5° | 108.8° |
| C4' | O4' | C1' | 105.4° | 108.0° |
| C4' | C3' | C2' | 99.7° | 104.1° |
| C4' | C3' | O3' | 107.6° | 110.6° |
| C4' | C3' | H15 | 112.8° | 110.5° |
| O4' | C1' | N9 | 110.4° | 110.8° |
| O4' | C1' | C2' | 109.7° | 102.7° |
| O4' | C1' | H19 | 107.8° | 110.7° |
| N7 | C8 | N9 | 111.9° | 110.0° |
| C8 | N7 | C5 | 104.7° | 109.5° |
| N7 | C8 | H20 | 124.0° | 125.0° |
| C8 | N9 | C1' | 129.5° | 126.3° |
| C8 | N9 | C4 | 107.7° | 107.4° |
| N9 | C8 | H20 | 124.0° | 125.0° |
| N7 | C5 | C6 | 134.2° | 134.7° |
| N7 | C5 | C4 | 109.9° | 107.1° |
| C1' | N9 | C4 | 122.5° | 126.3° |
| N9 | C1' | C2' | 114.5° | 110.7° |
| N9 | C1' | H19 | 107.5° | 110.8° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 125.7° | 134.9° |
| C2' | C3' | O3' | 109.3° | 110.5° |
| C3' | C2' | C1' | 102.6° | 100.9° |
| C3' | C2' | O2' | 114.6° | 111.1° |
| C2' | C3' | H15 | 112.4° | 110.5° |
| C3' | C2' | H17 | 110.1° | 111.1° |
| O3' | C3' | H15 | 114.1° | 110.6° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| C6 | C5 | C4 | 115.8° | 118.2° |
| C5 | C6 | N6 | 123.1° | 120.8° |
| C5 | C6 | N1 | 118.0° | 118.4° |
| C5 | C4 | N3 | 128.5° | 119.1° |
| N6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| C6 | N6 | H22 | 109.4° | 120.0° |
| C1' | C2' | O2' | 107.5° | 111.3° |
| C1' | C2' | H17 | 110.1° | 111.0° |
| C2' | C1' | H19 | 106.7° | 110.8° |
| C6 | N1 | C2 | 120.2° | 121.2° |
| C4 | N3 | C2 | 110.0° | 120.6° |
| O2' | C2' | H17 | 111.6° | 111.0° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| N1 | C2 | N3 | 127.2° | 122.5° |
| N1 | C2 | H23 | 116.4° | 118.7° |
| N3 | C2 | H23 | 116.4° | 118.8° |
| H1 | N | H2 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H8 | CG | H9 | 109.4° | 109.5° |
| H11 | NE | H12 | 109.5° | 111.0° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.6° | 180.0° |
| O | C | CA | N | 40.0° | 20.0° |
| O | C | CA | CB | 91.6° | 100.0° |
| O | C | CA | H4 | 153.8° | 140.0° |
| O | C | OXT | H5 | 0.0° | 0.0° |
| NE | CD | CG | C5' | 123.3° | 120.0° |
| NE | CD | CG | H10 | 120.4° | 120.0° |
| NE | CD | CG | CB | 166.5° | 65.0° |
| NE | CD | C5' | H10 | 117.5° | 120.0° |
| NE | CD | C5' | C4' | 107.1° | 122.6° |
| NE | CD | CG | H8 | 46.4° | 175.1° |
| NE | CD | CG | H9 | 73.4° | 55.0° |
| CD | NE | H11 | H12 | 120.0° | 124.0° |
| NE | CD | C5' | H14 | 73.0° | 57.3° |
| CD | CG | CB | H8 | 120.1° | 119.9° |
| CD | CG | CB | H9 | 120.1° | 120.1° |
| CG | CD | C5' | H10 | 116.0° | 120.1° |
| CD | CG | CB | CA | 158.6° | 180.0° |
| CG | CD | C5' | C4' | 126.4° | 117.4° |
| CD | CG | CB | H6 | 37.5° | 60.0° |
| CD | CG | CB | H7 | 80.2° | 59.9° |
| CD | CG | H8 | H9 | 119.8° | 120.0° |
| CG | CD | NE | H11 | 180.0° | 54.4° |
| CG | CD | NE | H12 | 60.0° | 69.6° |
| CG | CD | C5' | H14 | 53.6° | 62.6° |
| CG | CB | CA | C | 73.1° | 175.1° |
| CG | CB | CA | N | 56.0° | 65.0° |
| CB | CG | CD | C5' | 70.3° | 175.0° |
| CG | CB | CA | H6 | 121.2° | 120.0° |
| CG | CB | CA | H7 | 121.2° | 120.1° |
| CG | CB | CA | H4 | 172.2° | 55.0° |
| CG | CB | H6 | H7 | 116.4° | 120.0° |
| CB | CG | H8 | H9 | 119.7° | 120.0° |
| CB | CG | CD | H10 | 46.0° | 54.9° |
| OXT | C | CA | N | 140.4° | 160.0° |
| OXT | C | CA | CB | 88.1° | 80.0° |
| OXT | C | CA | H4 | 26.5° | 40.1° |
| C | CA | N | CB | 130.6° | 120.0° |
| C | CA | N | H4 | 113.6° | 120.0° |
| C | CA | CB | H4 | 114.7° | 120.1° |
| C | CA | N | H1 | 180.0° | 59.9° |
| C | CA | N | H2 | 60.0° | 176.1° |
| CA | C | OXT | H5 | 179.6° | 180.0° |
| C | CA | CB | H6 | 165.8° | 64.9° |
| C | CA | CB | H7 | 48.1° | 55.0° |
| N | CA | CB | H4 | 116.2° | 119.9° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 65.1° | 55.0° |
| N | CA | CB | H7 | 177.2° | 175.0° |
| CD | C5' | C4' | H14 | 180.0° | 180.0° |
| CD | C5' | C4' | O4' | 174.5° | 174.0° |
| CD | C5' | C4' | C3' | 6.5° | 5.8° |
| C5' | CD | CG | H8 | 169.6° | 55.1° |
| C5' | CD | CG | H9 | 49.8° | 65.0° |
| C5' | CD | NE | H11 | 57.4° | 65.6° |
| C5' | CD | NE | H12 | 62.6° | 170.4° |
| CB | CA | N | H1 | 49.4° | 60.0° |
| CB | CA | N | H2 | 169.4° | 63.9° |
| CA | CB | H6 | H7 | 116.4° | 119.9° |
| CA | CB | CG | H8 | 81.2° | 60.0° |
| CA | CB | CG | H9 | 38.5° | 60.0° |
| C5' | C4' | O4' | C3' | 179.2° | 179.8° |
| C5' | C4' | O4' | C1' | 161.2° | 152.5° |
| C5' | C4' | C3' | C2' | 149.4° | 176.7° |
| C5' | C4' | C3' | O3' | 96.6° | 58.0° |
| C4' | C5' | CD | H10 | 10.4° | 2.7° |
| C5' | C4' | C3' | H15 | 30.0° | 64.7° |
| C4' | O4' | C1' | N9 | 128.3° | 158.3° |
| O4' | C4' | C3' | C2' | 31.5° | 3.5° |
| O4' | C4' | C3' | O3' | 82.4° | 122.2° |
| C4' | O4' | C1' | C2' | 1.2° | 40.0° |
| O4' | C4' | C5' | H14 | 5.5° | 5.9° |
| O4' | C4' | C3' | H15 | 150.9° | 115.1° |
| C4' | O4' | C1' | H19 | 114.6° | 78.3° |
| C3' | C4' | O4' | C1' | 19.6° | 27.7° |
| C4' | C3' | C2' | O3' | 112.6° | 118.7° |
| C4' | C3' | C2' | H15 | 119.7° | 118.6° |
| C4' | C3' | O3' | H15 | 125.9° | 122.7° |
| C4' | C3' | C2' | C1' | 28.7° | 19.4° |
| C4' | C3' | C2' | O2' | 144.9° | 137.5° |
| C3' | C4' | C5' | H14 | 173.5° | 174.3° |
| C4' | C3' | O3' | H16 | 180.0° | 65.7° |
| C4' | C3' | C2' | H17 | 88.4° | 98.3° |
| O4' | C1' | N9 | C8 | 85.7° | 23.8° |
| O4' | C1' | N9 | C2' | 124.3° | 113.3° |
| O4' | C1' | N9 | H19 | 117.4° | 123.4° |
| O4' | C1' | N9 | C4 | 102.1° | 156.4° |
| O4' | C1' | C2' | C3' | 20.2° | 35.1° |
| O4' | C1' | C2' | H19 | 116.5° | 118.3° |
| O4' | C1' | C2' | O2' | 141.3° | 153.1° |
| O4' | C1' | C2' | H17 | 97.0° | 82.8° |
| N7 | C8 | N9 | H20 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 173.8° | 180.0° |
| N7 | C8 | N9 | C4 | 0.6° | 0.2° |
| C8 | N7 | C5 | C6 | 176.4° | 179.9° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| N9 | C8 | N7 | C5 | 0.5° | 0.0° |
| C8 | N9 | C1' | C4 | 172.3° | 179.7° |
| C8 | N9 | C4 | C5 | 0.5° | 0.4° |
| C8 | N9 | C1' | C2' | 38.7° | 89.4° |
| C8 | N9 | C4 | N3 | 179.6° | 179.5° |
| C8 | N9 | C1' | H19 | 157.0° | 147.2° |
| N7 | C5 | C4 | N9 | 0.3° | 0.4° |
| N7 | C5 | C6 | C4 | 176.1° | 179.6° |
| N7 | C5 | C6 | N6 | 2.6° | 0.1° |
| N7 | C5 | C6 | N1 | 179.6° | 179.9° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| C5 | N7 | C8 | H20 | 179.5° | 180.0° |
| N9 | C1' | C2' | C3' | 144.9° | 153.4° |
| C1' | N9 | C4 | C5 | 174.3° | 179.8° |
| N9 | C1' | C2' | H19 | 118.7° | 123.4° |
| C1' | N9 | C4 | N3 | 5.8° | 0.7° |
| N9 | C1' | C2' | O2' | 94.0° | 88.7° |
| N9 | C1' | C2' | H17 | 27.8° | 35.5° |
| C1' | N9 | C8 | H20 | 6.2° | 0.0° |
| N9 | C4 | C5 | C6 | 176.8° | 179.9° |
| N9 | C4 | C5 | N3 | 179.9° | 179.3° |
| C4 | N9 | C1' | C2' | 133.6° | 90.3° |
| N9 | C4 | N3 | C2 | 177.9° | 179.6° |
| C4 | N9 | C1' | H19 | 15.3° | 33.1° |
| C4 | N9 | C8 | H20 | 179.3° | 179.8° |
| C2' | C3' | O3' | H15 | 126.8° | 122.7° |
| C3' | C2' | C1' | O2' | 121.1° | 118.0° |
| C3' | C2' | C1' | H17 | 117.1° | 117.9° |
| C3' | C2' | O2' | H17 | 125.9° | 124.2° |
| C2' | C3' | O3' | H16 | 72.7° | 179.6° |
| C3' | C2' | O2' | H18 | 180.0° | 61.5° |
| C3' | C2' | C1' | H19 | 96.4° | 83.3° |
| O3' | C3' | C2' | C1' | 83.9° | 99.3° |
| O3' | C3' | C2' | O2' | 32.3° | 18.9° |
| O3' | C3' | C2' | H17 | 159.0° | 143.0° |
| C5 | C6 | N6 | N1 | 177.8° | 180.0° |
| C6 | C5 | C4 | N3 | 3.1° | 0.6° |
| C5 | C6 | N1 | C2 | 3.2° | 0.0° |
| C5 | C6 | N6 | H21 | 177.8° | 0.0° |
| C5 | C6 | N6 | H22 | 62.2° | 180.0° |
| C4 | C5 | C6 | N6 | 178.7° | 179.7° |
| C4 | C5 | C6 | N1 | 3.5° | 0.3° |
| C5 | C4 | N3 | C2 | 2.0° | 0.6° |
| N6 | C6 | N1 | C2 | 178.9° | 180.0° |
| C6 | N6 | H21 | H22 | 120.0° | 180.0° |
| C1' | C2' | O2' | H17 | 120.8° | 124.2° |
| C1' | C2' | C3' | H15 | 148.4° | 138.0° |
| C1' | C2' | O2' | H18 | 66.7° | 173.1° |
| C6 | N1 | C2 | N3 | 2.2° | 0.0° |
| N1 | C6 | N6 | H21 | 0.0° | 180.0° |
| N1 | C6 | N6 | H22 | 120.0° | 0.0° |
| C6 | N1 | C2 | H23 | 177.8° | 180.0° |
| C4 | N3 | C2 | N1 | 1.4° | 0.3° |
| C4 | N3 | C2 | H23 | 178.6° | 179.7° |
| O2' | C2' | C3' | H15 | 95.4° | 103.9° |
| O2' | C2' | C1' | H19 | 24.8° | 34.7° |
| N1 | C2 | N3 | H23 | 180.0° | 180.0° |
| H1 | N | CA | H4 | 66.4° | 180.0° |
| H2 | N | CA | H4 | 53.6° | 56.0° |
| H4 | CA | CB | H6 | 51.0° | 175.0° |
| H4 | CA | CB | H7 | 66.7° | 65.1° |
| H6 | CB | CG | H8 | 157.6° | 179.9° |
| H6 | CB | CG | H9 | 82.6° | 60.0° |
| H7 | CB | CG | H8 | 39.9° | 60.0° |
| H7 | CB | CG | H9 | 159.7° | 180.0° |
| H8 | CG | CD | H10 | 74.1° | 65.0° |
| H9 | CG | CD | H10 | 166.1° | 175.0° |
| H10 | CD | NE | H11 | 59.9° | 174.4° |
| H10 | CD | NE | H12 | 179.9° | 50.4° |
| H10 | CD | C5' | H14 | 169.6° | 177.3° |
| H15 | C3' | O3' | H16 | 54.1° | 56.9° |
| H15 | C3' | C2' | H17 | 31.2° | 20.3° |
| H17 | C2' | O2' | H18 | 54.1° | 62.7° |
| H17 | C2' | C1' | H19 | 146.5° | 158.9° |
