1EI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| N3 | C2 | doub | 1.30Å | 1.34Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2 | N1 | sing | 1.36Å | 1.35Å | |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| OAE | SBF | doub | 1.42Å | 1.45Å | |
| O5' | SBF | sing | 1.52Å | 1.54Å | |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.48Å | |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| SBF | OAF | doub | 1.42Å | 1.45Å | |
| NAQ | C | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| OE2 | CD | doub | 1.21Å | 1.25Å | |
| CD | OE1 | sing | 1.34Å | 1.25Å | |
| SBF | NAQ | sing | 1.66Å | 1.55Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 1.01Å | 1.00Å | |
| N | H17 | sing | 1.01Å | 1.00Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| CG | H22 | sing | 1.09Å | 1.10Å | |
| OE1 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.2° | 110.6° |
| O3' | C3' | C2' | 108.3° | 110.5° |
| O3' | C3' | H7 | 111.9° | 110.4° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| O2' | C2' | C1' | 109.3° | 110.9° |
| O2' | C2' | C3' | 108.4° | 110.9° |
| O2' | C2' | H5 | 112.4° | 110.8° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| O4' | C4' | C5' | 111.1° | 109.9° |
| O4' | C4' | C3' | 105.0° | 107.3° |
| C4' | O4' | C1' | 108.8° | 107.0° |
| O4' | C4' | H9 | 109.5° | 109.9° |
| C5' | C4' | C3' | 114.7° | 109.9° |
| C4' | C5' | O5' | 111.9° | 109.4° |
| C5' | C4' | H9 | 108.1° | 109.9° |
| C4' | C5' | H10 | 108.9° | 109.5° |
| C4' | C5' | H11 | 108.9° | 109.5° |
| C4' | C3' | C2' | 106.1° | 104.2° |
| C4' | C3' | H7 | 110.5° | 110.4° |
| C3' | C4' | H9 | 108.2° | 110.0° |
| O4' | C1' | C2' | 106.9° | 103.5° |
| O4' | C1' | N9 | 110.8° | 110.6° |
| O4' | C1' | H4 | 108.9° | 110.8° |
| C2' | C1' | N9 | 114.1° | 110.6° |
| C1' | C2' | C3' | 104.4° | 102.1° |
| C2' | C1' | H4 | 107.8° | 110.6° |
| C1' | C2' | H5 | 111.0° | 110.9° |
| C1' | N9 | C4 | 125.1° | 126.2° |
| C1' | N9 | C8 | 126.1° | 126.3° |
| N9 | C1' | H4 | 108.2° | 110.5° |
| C2 | N3 | C4 | 120.4° | 121.2° |
| N3 | C2 | N1 | 123.5° | 122.2° |
| N3 | C2 | H2 | 118.2° | 118.9° |
| N3 | C4 | N9 | 134.4° | 134.3° |
| N3 | C4 | C5 | 119.4° | 119.6° |
| C5' | O5' | SBF | 119.1° | 114.0° |
| O5' | C5' | H10 | 108.8° | 109.5° |
| O5' | C5' | H11 | 108.8° | 109.5° |
| C3' | C2' | H5 | 111.0° | 110.9° |
| C2' | C3' | H7 | 110.6° | 110.5° |
| C2 | N1 | C6 | 122.2° | 120.4° |
| C2 | N1 | H1 | 118.9° | 119.8° |
| N1 | C2 | H2 | 118.2° | 118.9° |
| N9 | C4 | C5 | 106.2° | 106.1° |
| C4 | N9 | C8 | 108.8° | 107.5° |
| C4 | C5 | C6 | 116.8° | 118.4° |
| C4 | C5 | N7 | 106.6° | 107.3° |
| N9 | C8 | N7 | 110.9° | 109.8° |
| N9 | C8 | H3 | 124.5° | 125.1° |
| N1 | C6 | C5 | 117.7° | 118.2° |
| N1 | C6 | O6 | 121.2° | 120.9° |
| C6 | N1 | H1 | 118.9° | 119.8° |
| OAE | SBF | O5' | 107.2° | 106.4° |
| OAE | SBF | OAF | 111.5° | 123.2° |
| OAE | SBF | NAQ | 109.4° | 106.4° |
| O5' | SBF | OAF | 109.2° | 106.4° |
| O5' | SBF | NAQ | 105.4° | 107.2° |
| C8 | N7 | C5 | 107.5° | 109.3° |
| N7 | C8 | H3 | 124.5° | 125.1° |
| C6 | C5 | N7 | 136.6° | 134.3° |
| C5 | C6 | O6 | 121.1° | 120.9° |
| OAF | SBF | NAQ | 113.9° | 106.4° |
| NAQ | C | O | 127.4° | 120.0° |
| NAQ | C | CA | 116.4° | 120.0° |
| C | NAQ | SBF | 127.3° | 120.0° |
| C | NAQ | H14 | 116.3° | 120.0° |
| O | C | CA | 116.2° | 120.0° |
| C | CA | N | 110.6° | 109.5° |
| C | CA | CB | 109.1° | 109.4° |
| C | CA | H15 | 108.6° | 109.5° |
| N | CA | CB | 111.0° | 109.5° |
| N | CA | H15 | 109.2° | 109.5° |
| CA | N | H16 | 109.5° | 111.0° |
| CA | N | H17 | 109.4° | 111.0° |
| CA | CB | CG | 111.3° | 109.5° |
| CB | CA | H15 | 108.2° | 109.5° |
| CA | CB | H19 | 109.0° | 109.5° |
| CA | CB | H20 | 109.0° | 109.4° |
| CB | CG | CD | 110.3° | 109.5° |
| CG | CB | H19 | 109.0° | 109.5° |
| CG | CB | H20 | 109.0° | 109.4° |
| CB | CG | H21 | 109.3° | 109.5° |
| CB | CG | H22 | 109.3° | 109.5° |
| CG | CD | OE2 | 118.4° | 120.0° |
| CG | CD | OE1 | 118.5° | 120.0° |
| CD | CG | H21 | 109.3° | 109.5° |
| CD | CG | H22 | 109.3° | 109.5° |
| OE2 | CD | OE1 | 123.0° | 120.0° |
| CD | OE1 | H23 | 109.5° | 117.0° |
| SBF | NAQ | H14 | 116.3° | 120.0° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H16 | N | H17 | 109.5° | 111.0° |
| H19 | CB | H20 | 109.5° | 109.5° |
| H21 | CG | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | O2' | 5.1° | 20.3° |
| O3' | C3' | C4' | O4' | 137.3° | 120.8° |
| O3' | C3' | C4' | C5' | 100.4° | 119.8° |
| O3' | C3' | C4' | C2' | 116.5° | 118.8° |
| O3' | C3' | C4' | H7 | 123.5° | 122.5° |
| O3' | C3' | C2' | C1' | 121.5° | 97.9° |
| O3' | C3' | C2' | H7 | 123.0° | 122.6° |
| O3' | C3' | C2' | H5 | 118.9° | 143.9° |
| O3' | C3' | C4' | H9 | 20.4° | 1.3° |
| O2' | C2' | C3' | C4' | 112.1° | 139.1° |
| O2' | C2' | C1' | O4' | 129.4° | 155.2° |
| O2' | C2' | C1' | C3' | 115.8° | 118.2° |
| O2' | C2' | C1' | H5 | 124.5° | 123.6° |
| O2' | C2' | C1' | N9 | 107.6° | 86.3° |
| O2' | C2' | C3' | H5 | 123.9° | 123.6° |
| O2' | C2' | C1' | H4 | 12.5° | 36.6° |
| O2' | C2' | C3' | H7 | 128.0° | 102.2° |
| O4' | C4' | C5' | C3' | 118.9° | 117.8° |
| O4' | C4' | C5' | H9 | 120.2° | 121.1° |
| O4' | C4' | C3' | H9 | 116.9° | 119.5° |
| C4' | O4' | C1' | C2' | 28.1° | 40.1° |
| C4' | O4' | C1' | N9 | 153.0° | 158.6° |
| O4' | C4' | C5' | O5' | 57.2° | 66.5° |
| O4' | C4' | C3' | C2' | 20.7° | 2.0° |
| C4' | O4' | C1' | H4 | 88.1° | 78.5° |
| O4' | C4' | C3' | H7 | 99.2° | 116.7° |
| O4' | C4' | C5' | H10 | 63.2° | 173.5° |
| O4' | C4' | C5' | H11 | 177.5° | 53.5° |
| C5' | C4' | C3' | H9 | 120.8° | 121.0° |
| C5' | C4' | O4' | C1' | 155.0° | 145.9° |
| C4' | C5' | O5' | H10 | 120.4° | 120.0° |
| C4' | C5' | O5' | H11 | 120.4° | 120.0° |
| C5' | C4' | C3' | C2' | 143.0° | 121.4° |
| C4' | C5' | O5' | SBF | 166.6° | 180.0° |
| C5' | C4' | C3' | H7 | 23.1° | 2.7° |
| C4' | C5' | H10 | H11 | 118.9° | 120.0° |
| C3' | C4' | O4' | C1' | 30.4° | 26.5° |
| C4' | C3' | C2' | C1' | 4.3° | 20.9° |
| C3' | C4' | C5' | O5' | 61.7° | 175.7° |
| C4' | C3' | C2' | H7 | 119.9° | 118.7° |
| C4' | C3' | C2' | H5 | 124.0° | 97.3° |
| C4' | C3' | O3' | H8 | 180.0° | 176.3° |
| C3' | C4' | C5' | H10 | 177.9° | 55.7° |
| C3' | C4' | C5' | H11 | 58.6° | 64.3° |
| O4' | C1' | C2' | N9 | 122.9° | 118.5° |
| O4' | C1' | C2' | H4 | 116.9° | 118.7° |
| O4' | C1' | N9 | H4 | 119.3° | 123.0° |
| O4' | C1' | C2' | C3' | 13.6° | 37.0° |
| O4' | C1' | N9 | C4 | 158.3° | 160.9° |
| O4' | C1' | N9 | C8 | 19.3° | 20.0° |
| O4' | C1' | C2' | H5 | 106.1° | 81.2° |
| C1' | O4' | C4' | H9 | 85.6° | 93.1° |
| C2' | C1' | N9 | H4 | 119.9° | 122.9° |
| C1' | C2' | C3' | H5 | 119.7° | 118.2° |
| C2' | C1' | N9 | C4 | 81.0° | 85.0° |
| C2' | C1' | N9 | C8 | 101.4° | 94.1° |
| C1' | C2' | O2' | H6 | 180.0° | 180.0° |
| C1' | C2' | C3' | H7 | 115.6° | 139.5° |
| C1' | N9 | C4 | N3 | 1.8° | 0.0° |
| N9 | C1' | C2' | C3' | 136.5° | 155.5° |
| C1' | N9 | C4 | C8 | 178.0° | 179.2° |
| C1' | N9 | C4 | C5 | 178.9° | 179.7° |
| C1' | N9 | C8 | N7 | 179.0° | 179.9° |
| C1' | N9 | C8 | H3 | 1.0° | 0.7° |
| N9 | C1' | C2' | H5 | 16.9° | 37.3° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| C2 | N3 | C4 | N9 | 179.2° | 179.9° |
| C2 | N3 | C4 | C5 | 0.0° | 0.3° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| N3 | C2 | N1 | H1 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | N9 | C5 | 179.2° | 179.7° |
| N3 | C4 | N9 | C8 | 179.8° | 179.3° |
| N3 | C4 | C5 | C6 | 0.2° | 0.6° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| C4 | N3 | C2 | H2 | 179.9° | 179.9° |
| C5' | O5' | SBF | OAE | 24.4° | 171.5° |
| C5' | O5' | SBF | OAF | 145.3° | 38.5° |
| C5' | O5' | SBF | NAQ | 92.0° | 75.0° |
| O5' | C5' | C4' | H9 | 177.4° | 54.6° |
| O5' | C5' | H10 | H11 | 118.9° | 120.0° |
| C3' | C2' | C1' | H4 | 103.3° | 81.6° |
| C3' | C2' | O2' | H6 | 66.8° | 67.3° |
| C2' | C3' | O3' | H8 | 64.9° | 61.4° |
| C2' | C3' | C4' | H9 | 96.2° | 117.5° |
| C2 | N1 | C6 | H1 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.1° | 0.2° |
| C2 | N1 | C6 | O6 | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 1.1° | 0.7° |
| N9 | C4 | C5 | C6 | 179.6° | 179.6° |
| N9 | C4 | C5 | N7 | 0.5° | 0.1° |
| C4 | N9 | C8 | H3 | 178.9° | 179.9° |
| C4 | N9 | C1' | H4 | 38.9° | 37.9° |
| C5 | C4 | N9 | C8 | 1.0° | 0.5° |
| C4 | C5 | C6 | N1 | 0.2° | 0.6° |
| C4 | C5 | N7 | C8 | 0.1° | 0.3° |
| C4 | C5 | C6 | N7 | 179.9° | 179.6° |
| C4 | C5 | C6 | O6 | 179.9° | 179.7° |
| N9 | C8 | N7 | H3 | 180.0° | 179.4° |
| N9 | C8 | N7 | C5 | 0.7° | 0.7° |
| C8 | N9 | C1' | H4 | 138.7° | 143.0° |
| N1 | C6 | C5 | O6 | 179.7° | 179.8° |
| N1 | C6 | C5 | N7 | 179.9° | 179.8° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| OAE | SBF | O5' | OAF | 120.9° | 133.0° |
| OAE | SBF | O5' | NAQ | 116.4° | 113.5° |
| OAE | SBF | OAF | NAQ | 124.3° | 122.9° |
| OAE | SBF | NAQ | C | 63.6° | 48.5° |
| OAE | SBF | NAQ | H14 | 116.4° | 131.5° |
| O5' | SBF | OAF | NAQ | 117.5° | 114.1° |
| O5' | SBF | NAQ | C | 178.5° | 65.0° |
| SBF | O5' | C5' | H10 | 73.0° | 60.0° |
| SBF | O5' | C5' | H11 | 46.2° | 60.0° |
| O5' | SBF | NAQ | H14 | 1.5° | 115.0° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C5 | C6 | N1 | H1 | 179.9° | 179.7° |
| N7 | C5 | C6 | O6 | 0.2° | 0.1° |
| C5 | N7 | C8 | H3 | 179.3° | 180.0° |
| O6 | C6 | N1 | H1 | 0.2° | 0.1° |
| OAF | SBF | NAQ | C | 61.8° | 178.5° |
| OAF | SBF | NAQ | H14 | 118.2° | 1.5° |
| NAQ | C | O | CA | 179.1° | 179.9° |
| NAQ | C | CA | N | 21.8° | 160.0° |
| NAQ | C | CA | CB | 144.2° | 80.0° |
| C | NAQ | SBF | H14 | 180.0° | 180.0° |
| NAQ | C | CA | H15 | 98.1° | 39.9° |
| O | C | CA | N | 159.0° | 20.0° |
| O | C | CA | CB | 36.6° | 100.0° |
| O | C | NAQ | SBF | 0.6° | 0.0° |
| O | C | NAQ | H14 | 179.4° | 180.0° |
| O | C | CA | H15 | 81.1° | 140.0° |
| C | CA | N | CB | 121.3° | 120.0° |
| C | CA | N | H15 | 119.5° | 120.1° |
| C | CA | CB | H15 | 118.0° | 120.0° |
| C | CA | CB | CG | 153.0° | 175.0° |
| CA | C | NAQ | SBF | 179.7° | 180.0° |
| CA | C | NAQ | H14 | 0.3° | 0.1° |
| C | CA | N | H16 | 180.0° | 64.0° |
| C | CA | N | H17 | 60.0° | 60.0° |
| C | CA | CB | H19 | 86.7° | 65.0° |
| C | CA | CB | H20 | 32.8° | 55.0° |
| N | CA | CB | H15 | 119.9° | 120.0° |
| N | CA | CB | CG | 84.8° | 65.0° |
| CA | N | H16 | H17 | 120.0° | 123.9° |
| N | CA | CB | H19 | 35.5° | 55.0° |
| N | CA | CB | H20 | 154.9° | 175.0° |
| CA | CB | CG | H19 | 120.3° | 120.0° |
| CA | CB | CG | H20 | 120.3° | 119.9° |
| CA | CB | CG | CD | 89.9° | 180.0° |
| CB | CA | N | H16 | 58.8° | 176.0° |
| CB | CA | N | H17 | 178.7° | 60.0° |
| CA | CB | H19 | H20 | 119.2° | 120.0° |
| CA | CB | CG | H21 | 149.9° | 60.0° |
| CA | CB | CG | H22 | 30.2° | 60.0° |
| CB | CG | CD | H21 | 120.1° | 120.0° |
| CB | CG | CD | H22 | 120.1° | 120.0° |
| CB | CG | CD | OE2 | 55.0° | 0.0° |
| CB | CG | CD | OE1 | 124.4° | 180.0° |
| CG | CB | CA | H15 | 35.1° | 55.0° |
| CG | CB | H19 | H20 | 119.2° | 120.0° |
| CB | CG | H21 | H22 | 119.6° | 120.0° |
| CG | CD | OE2 | OE1 | 179.5° | 180.0° |
| CD | CG | CB | H19 | 30.3° | 60.0° |
| CD | CG | CB | H20 | 149.8° | 60.0° |
| CD | CG | H21 | H22 | 119.6° | 120.0° |
| CG | CD | OE1 | H23 | 179.5° | 180.0° |
| OE2 | CD | CG | H21 | 175.2° | 120.0° |
| OE2 | CD | CG | H22 | 65.1° | 120.0° |
| OE2 | CD | OE1 | H23 | 0.0° | 0.0° |
| OE1 | CD | CG | H21 | 4.3° | 60.0° |
| OE1 | CD | CG | H22 | 115.4° | 60.0° |
| H1 | N1 | C2 | H2 | 0.0° | 0.1° |
| H4 | C1' | C2' | H5 | 137.0° | 160.2° |
| H5 | C2' | O2' | H6 | 56.3° | 56.3° |
| H5 | C2' | C3' | H7 | 4.1° | 21.3° |
| H7 | C3' | O3' | H8 | 57.3° | 61.2° |
| H7 | C3' | C4' | H9 | 143.9° | 123.8° |
| H9 | C4' | C5' | H10 | 57.1° | 65.4° |
| H9 | C4' | C5' | H11 | 62.2° | 174.6° |
| H15 | CA | N | H16 | 60.5° | 56.1° |
| H15 | CA | N | H17 | 59.5° | 180.0° |
| H15 | CA | CB | H19 | 155.3° | 175.0° |
| H15 | CA | CB | H20 | 85.2° | 65.0° |
| H19 | CB | CG | H21 | 89.8° | 180.0° |
| H19 | CB | CG | H22 | 150.4° | 60.0° |
| H20 | CB | CG | H21 | 29.7° | 60.0° |
| H20 | CB | CG | H22 | 90.1° | 180.0° |
