LSU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.53Å | 1.50Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.51Å | |
| C1' | N1 | sing | 1.47Å | 1.44Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O2 | C2 | doub | 1.22Å | 1.21Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| O5' | S | sing | 1.52Å | 1.58Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | N3S | sing | 1.35Å | 1.37Å | |
| N3S | S | sing | 1.66Å | 1.58Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| O1S | S | doub | 1.42Å | 1.41Å | |
| S | O2S | doub | 1.42Å | 1.41Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| C5 | C4 | sing | 1.42Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.09Å | 1.10Å | |
| CD2 | H11 | sing | 1.09Å | 1.10Å | |
| CD2 | H12 | sing | 1.09Å | 1.10Å | |
| CD2 | H13 | sing | 1.09Å | 1.10Å | |
| C1' | H14 | sing | 1.09Å | 1.10Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| C4' | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C5' | H19 | sing | 1.09Å | 1.10Å | |
| C5' | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N3S | H23 | sing | 0.97Å | 1.00Å | |
| O2' | H24 | sing | 0.97Å | 0.95Å | |
| O3' | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 109.7° | 109.5° |
| CD2 | CG | CD1 | 111.1° | 109.4° |
| CD2 | CG | H7 | 107.9° | 109.5° |
| CG | CD2 | H11 | 109.5° | 109.5° |
| CG | CD2 | H12 | 109.5° | 109.5° |
| CG | CD2 | H13 | 109.5° | 109.5° |
| O3' | C3' | C4' | 111.0° | 110.6° |
| O3' | C3' | C2' | 110.2° | 110.5° |
| O3' | C3' | H16 | 112.0° | 110.4° |
| C3' | O3' | H25 | 109.5° | 113.9° |
| CB | CG | CD1 | 112.4° | 109.5° |
| CG | CB | CA | 117.6° | 109.4° |
| CG | CB | H5 | 107.4° | 109.4° |
| CG | CB | H6 | 107.4° | 109.5° |
| CB | CG | H7 | 107.7° | 109.5° |
| CD1 | CG | H7 | 107.8° | 109.5° |
| CG | CD1 | H8 | 109.5° | 109.5° |
| CG | CD1 | H9 | 109.5° | 109.5° |
| CG | CD1 | H10 | 109.5° | 109.4° |
| C3' | C4' | O4' | 106.1° | 107.3° |
| C3' | C4' | C5' | 116.2° | 109.8° |
| C4' | C3' | C2' | 102.5° | 104.2° |
| C4' | C3' | H16 | 110.3° | 110.5° |
| C3' | C4' | H17 | 107.8° | 109.9° |
| O4' | C4' | C5' | 109.9° | 109.9° |
| C4' | O4' | C1' | 109.8° | 107.0° |
| O4' | C4' | H17 | 108.8° | 109.9° |
| C4' | C5' | O5' | 107.0° | 109.5° |
| C5' | C4' | H17 | 108.0° | 110.0° |
| C4' | C5' | H19 | 110.1° | 109.4° |
| C4' | C5' | H20 | 110.1° | 109.5° |
| C3' | C2' | C1' | 101.3° | 102.1° |
| C3' | C2' | O2' | 112.0° | 110.9° |
| C3' | C2' | H15 | 110.8° | 110.9° |
| C2' | C3' | H16 | 110.4° | 110.5° |
| O4' | C1' | C2' | 105.8° | 103.5° |
| O4' | C1' | N1 | 107.4° | 110.6° |
| O4' | C1' | H14 | 111.6° | 110.7° |
| CB | CA | N | 113.8° | 109.4° |
| CB | CA | C | 108.5° | 109.4° |
| CB | CA | H4 | 109.0° | 109.5° |
| CA | CB | H5 | 107.4° | 109.5° |
| CA | CB | H6 | 107.4° | 109.5° |
| C5' | O5' | S | 117.1° | 114.0° |
| O5' | C5' | H19 | 110.1° | 109.5° |
| O5' | C5' | H20 | 110.1° | 109.5° |
| C2' | C1' | N1 | 110.6° | 110.7° |
| C1' | C2' | O2' | 108.9° | 110.9° |
| C2' | C1' | H14 | 110.1° | 110.6° |
| C1' | C2' | H15 | 110.8° | 110.9° |
| C1' | N1 | C2 | 119.1° | 119.7° |
| C1' | N1 | C6 | 119.3° | 119.7° |
| N1 | C1' | H14 | 111.1° | 110.6° |
| O2' | C2' | H15 | 112.5° | 110.8° |
| C2' | O2' | H24 | 109.5° | 114.0° |
| O2 | C2 | N1 | 123.0° | 119.5° |
| O2 | C2 | N3 | 122.0° | 119.5° |
| N | CA | C | 106.6° | 109.5° |
| CA | N | H1 | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 109.9° | 109.5° |
| CA | C | O | 122.3° | 120.0° |
| CA | C | N3S | 119.6° | 120.0° |
| C | CA | H4 | 108.9° | 109.5° |
| C2 | N1 | C6 | 121.4° | 120.6° |
| N1 | C2 | N3 | 114.9° | 121.0° |
| N1 | C6 | C5 | 122.3° | 119.7° |
| N1 | C6 | H21 | 118.9° | 120.2° |
| O5' | S | N3S | 107.2° | 107.2° |
| O5' | S | O1S | 107.3° | 106.4° |
| O5' | S | O2S | 102.0° | 106.4° |
| C2 | N3 | C4 | 126.8° | 120.3° |
| C2 | N3 | H22 | 116.6° | 119.9° |
| O | C | N3S | 118.0° | 120.0° |
| C | N3S | S | 131.8° | 120.0° |
| C | N3S | H23 | 114.1° | 120.0° |
| N3S | S | O1S | 106.6° | 106.4° |
| N3S | S | O2S | 111.9° | 106.4° |
| S | N3S | H23 | 114.1° | 120.0° |
| C6 | C5 | C4 | 119.6° | 119.1° |
| C6 | C5 | H18 | 120.2° | 120.5° |
| C5 | C6 | H21 | 118.8° | 120.1° |
| O1S | S | O2S | 121.0° | 123.1° |
| N3 | C4 | C5 | 115.0° | 119.4° |
| N3 | C4 | O4 | 119.6° | 120.3° |
| C4 | N3 | H22 | 116.6° | 119.9° |
| C5 | C4 | O4 | 125.3° | 120.3° |
| C4 | C5 | H18 | 120.2° | 120.5° |
| H1 | N | H2 | 109.4° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H8 | CD1 | H9 | 109.4° | 109.5° |
| H8 | CD1 | H10 | 109.5° | 109.4° |
| H9 | CD1 | H10 | 109.5° | 109.5° |
| H11 | CD2 | H12 | 109.4° | 109.4° |
| H11 | CD2 | H13 | 109.5° | 109.5° |
| H12 | CD2 | H13 | 109.5° | 109.5° |
| H19 | C5' | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 124.2° | 120.0° |
| CD2 | CG | CB | H7 | 117.2° | 120.0° |
| CD2 | CG | CD1 | H7 | 118.0° | 120.0° |
| CD2 | CG | CB | CA | 165.9° | 65.8° |
| CD2 | CG | CB | H5 | 72.9° | 174.1° |
| CD2 | CG | CB | H6 | 44.7° | 54.1° |
| CD2 | CG | CD1 | H8 | 180.0° | 62.7° |
| CD2 | CG | CD1 | H9 | 60.0° | 57.4° |
| CD2 | CG | CD1 | H10 | 60.0° | 177.4° |
| CG | CD2 | H11 | H12 | 120.0° | 120.0° |
| CG | CD2 | H11 | H13 | 120.0° | 120.0° |
| CG | CD2 | H12 | H13 | 120.0° | 120.0° |
| O3' | C3' | C4' | C2' | 117.6° | 118.7° |
| O3' | C3' | C4' | H16 | 124.8° | 122.6° |
| O3' | C3' | C4' | O4' | 93.2° | 120.8° |
| O3' | C3' | C4' | C5' | 144.4° | 119.8° |
| O3' | C3' | C2' | H16 | 124.2° | 122.5° |
| O3' | C3' | C2' | C1' | 82.3° | 97.9° |
| O3' | C3' | C2' | O2' | 33.6° | 20.3° |
| O3' | C3' | C2' | H15 | 160.1° | 143.9° |
| O3' | C3' | C4' | H17 | 23.2° | 1.3° |
| CB | CG | CD1 | H7 | 118.5° | 120.0° |
| CG | CB | CA | H5 | 121.2° | 120.0° |
| CG | CB | CA | H6 | 121.2° | 120.0° |
| CG | CB | CA | N | 76.9° | 63.3° |
| CG | CB | CA | C | 164.6° | 176.8° |
| CG | CB | CA | H4 | 46.2° | 56.7° |
| CG | CB | H5 | H6 | 116.3° | 120.0° |
| CB | CG | CD1 | H8 | 56.6° | 57.3° |
| CB | CG | CD1 | H9 | 176.6° | 177.4° |
| CB | CG | CD1 | H10 | 63.4° | 62.6° |
| CB | CG | CD2 | H11 | 180.0° | 60.0° |
| CB | CG | CD2 | H12 | 60.0° | 180.0° |
| CB | CG | CD2 | H13 | 60.0° | 60.0° |
| CD1 | CG | CB | CA | 69.9° | 174.2° |
| CD1 | CG | CB | H5 | 51.3° | 54.2° |
| CD1 | CG | CB | H6 | 169.0° | 65.9° |
| CG | CD1 | H8 | H9 | 120.0° | 120.1° |
| CG | CD1 | H8 | H10 | 120.0° | 119.9° |
| CG | CD1 | H9 | H10 | 120.0° | 119.9° |
| CD1 | CG | CD2 | H11 | 55.0° | 180.0° |
| CD1 | CG | CD2 | H12 | 175.0° | 60.0° |
| CD1 | CG | CD2 | H13 | 65.0° | 60.0° |
| C3' | C4' | O4' | C5' | 126.3° | 119.4° |
| C3' | C4' | O4' | H17 | 115.7° | 119.5° |
| C3' | C4' | C5' | H17 | 121.1° | 121.1° |
| C4' | C3' | C2' | H16 | 117.5° | 118.7° |
| C3' | C4' | O4' | C1' | 2.1° | 26.6° |
| C3' | C4' | C5' | O5' | 57.7° | 175.0° |
| C4' | C3' | C2' | C1' | 35.9° | 20.9° |
| C4' | C3' | C2' | O2' | 151.8° | 139.1° |
| C4' | C3' | C2' | H15 | 81.7° | 97.3° |
| C3' | C4' | C5' | H19 | 177.3° | 55.0° |
| C3' | C4' | C5' | H20 | 61.9° | 65.0° |
| C4' | C3' | O3' | H25 | 180.0° | 176.2° |
| O4' | C4' | C5' | H17 | 118.5° | 121.1° |
| O4' | C4' | C3' | C2' | 24.5° | 2.1° |
| O4' | C4' | C5' | O5' | 62.7° | 67.2° |
| C4' | O4' | C1' | C2' | 21.5° | 40.1° |
| C4' | O4' | C1' | N1 | 139.7° | 158.6° |
| C4' | O4' | C1' | H14 | 98.2° | 78.5° |
| O4' | C4' | C3' | H16 | 142.1° | 116.6° |
| O4' | C4' | C5' | H19 | 56.9° | 172.8° |
| O4' | C4' | C5' | H20 | 177.7° | 52.8° |
| C5' | C4' | C3' | C2' | 97.9° | 121.4° |
| C5' | C4' | O4' | C1' | 124.2° | 145.9° |
| C4' | C5' | O5' | H19 | 119.6° | 120.0° |
| C4' | C5' | O5' | H20 | 119.6° | 120.0° |
| C4' | C5' | O5' | S | 175.9° | 180.0° |
| C5' | C4' | C3' | H16 | 19.7° | 2.8° |
| C4' | C5' | H19 | H20 | 121.1° | 120.0° |
| C3' | C2' | C1' | O4' | 36.0° | 37.0° |
| C3' | C2' | C1' | O2' | 118.2° | 118.2° |
| C3' | C2' | C1' | H15 | 117.6° | 118.2° |
| C3' | C2' | C1' | N1 | 152.0° | 155.5° |
| C3' | C2' | O2' | H15 | 125.5° | 123.7° |
| C3' | C2' | C1' | H14 | 84.8° | 81.6° |
| C2' | C3' | C4' | H17 | 140.8° | 117.4° |
| C3' | C2' | O2' | H24 | 180.0° | 67.3° |
| C2' | C3' | O3' | H25 | 67.1° | 61.4° |
| O4' | C1' | C2' | N1 | 116.1° | 118.4° |
| O4' | C1' | C2' | H14 | 120.8° | 118.6° |
| O4' | C1' | N1 | H14 | 122.4° | 123.0° |
| O4' | C1' | C2' | O2' | 154.1° | 155.3° |
| O4' | C1' | N1 | C2 | 151.7° | 131.0° |
| O4' | C1' | N1 | C6 | 33.9° | 49.1° |
| O4' | C1' | C2' | H15 | 81.6° | 81.2° |
| C1' | O4' | C4' | H17 | 117.8° | 92.9° |
| CB | CA | N | C | 119.5° | 119.9° |
| CB | CA | N | H4 | 122.6° | 120.0° |
| CB | CA | C | H4 | 118.5° | 120.0° |
| CB | CA | C | O | 57.2° | 100.0° |
| CB | CA | C | N3S | 122.3° | 80.0° |
| CB | CA | N | H1 | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 116.3° | 120.0° |
| CA | CB | CG | H7 | 48.7° | 54.2° |
| C5' | O5' | S | N3S | 52.5° | 75.0° |
| C5' | O5' | S | O1S | 61.7° | 38.6° |
| C5' | O5' | S | O2S | 170.3° | 171.4° |
| O5' | C5' | C4' | H17 | 178.8° | 53.9° |
| O5' | C5' | H19 | H20 | 121.2° | 120.0° |
| C2' | C1' | N1 | H14 | 122.5° | 123.0° |
| C1' | C2' | O2' | H15 | 123.3° | 123.6° |
| C2' | C1' | N1 | C2 | 93.3° | 115.0° |
| C2' | C1' | N1 | C6 | 81.1° | 64.9° |
| C1' | C2' | C3' | H16 | 153.4° | 139.5° |
| C1' | C2' | O2' | H24 | 68.8° | 180.0° |
| N1 | C1' | C2' | O2' | 89.8° | 86.3° |
| C1' | N1 | C2 | O2 | 11.8° | 0.2° |
| C1' | N1 | C2 | C6 | 174.3° | 179.9° |
| C1' | N1 | C2 | N3 | 171.4° | 180.0° |
| C1' | N1 | C6 | C5 | 172.4° | 180.0° |
| N1 | C1' | C2' | H15 | 34.4° | 37.3° |
| C1' | N1 | C6 | H21 | 7.6° | 0.1° |
| O2' | C2' | C1' | H14 | 33.3° | 36.6° |
| O2' | C2' | C3' | H16 | 90.6° | 102.3° |
| O2 | C2 | N1 | N3 | 176.8° | 179.7° |
| O2 | C2 | N1 | C6 | 174.0° | 179.7° |
| O2 | C2 | N3 | C4 | 174.7° | 179.7° |
| O2 | C2 | N3 | H22 | 5.2° | 0.3° |
| N | CA | C | H4 | 118.6° | 120.0° |
| N | CA | C | O | 179.8° | 20.0° |
| N | CA | C | N3S | 0.7° | 160.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 161.9° | 56.7° |
| N | CA | CB | H6 | 44.3° | 176.8° |
| CA | C | O | N3S | 179.5° | 180.0° |
| CA | C | N3S | S | 172.6° | 180.0° |
| C | CA | N | H1 | 60.5° | 64.0° |
| C | CA | N | H2 | 59.5° | 59.9° |
| C | CA | CB | H5 | 43.4° | 63.3° |
| C | CA | CB | H6 | 74.2° | 56.8° |
| CA | C | N3S | H23 | 7.4° | 0.0° |
| C2 | N1 | C6 | C5 | 1.9° | 0.0° |
| N1 | C2 | N3 | C4 | 2.1° | 0.0° |
| C2 | N1 | C1' | H14 | 29.3° | 8.0° |
| C2 | N1 | C6 | H21 | 178.1° | 180.0° |
| N1 | C2 | N3 | H22 | 177.9° | 180.0° |
| C6 | N1 | C2 | N3 | 2.8° | 0.0° |
| N1 | C6 | C5 | H21 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | N1 | C1' | H14 | 156.3° | 172.1° |
| N1 | C6 | C5 | H18 | 179.8° | 179.9° |
| O5' | S | N3S | C | 54.9° | 65.0° |
| O5' | S | N3S | O1S | 114.6° | 113.5° |
| O5' | S | N3S | O2S | 111.1° | 113.5° |
| O5' | S | O1S | O2S | 116.1° | 122.9° |
| S | O5' | C5' | H19 | 64.5° | 60.1° |
| S | O5' | C5' | H20 | 56.3° | 60.0° |
| O5' | S | N3S | H23 | 125.1° | 115.0° |
| C2 | N3 | C4 | H22 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | O4 | 178.3° | 180.0° |
| O | C | N3S | S | 6.9° | 0.0° |
| O | C | CA | H4 | 61.3° | 140.0° |
| O | C | N3S | H23 | 173.1° | 180.0° |
| C | N3S | S | H23 | 180.0° | 180.0° |
| C | N3S | S | O1S | 169.5° | 178.5° |
| C | N3S | S | O2S | 56.2° | 48.6° |
| N3S | C | CA | H4 | 119.3° | 40.0° |
| N3S | S | O1S | O2S | 129.3° | 123.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.0° |
| C6 | C5 | C4 | H18 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 179.4° | 180.0° |
| O1S | S | N3S | H23 | 10.5° | 1.5° |
| O2S | S | N3S | H23 | 123.9° | 131.4° |
| N3 | C4 | C5 | O4 | 178.5° | 180.0° |
| N3 | C4 | C5 | H18 | 179.1° | 180.0° |
| C4 | C5 | C6 | H21 | 179.9° | 180.0° |
| C5 | C4 | N3 | H22 | 179.8° | 180.0° |
| O4 | C4 | C5 | H18 | 0.5° | 0.0° |
| O4 | C4 | N3 | H22 | 1.6° | 0.0° |
| H1 | N | CA | H4 | 57.4° | 56.0° |
| H2 | N | CA | H4 | 177.4° | 180.0° |
| H4 | CA | CB | H5 | 75.0° | 176.7° |
| H4 | CA | CB | H6 | 167.4° | 63.2° |
| H5 | CB | CG | H7 | 169.9° | 65.9° |
| H6 | CB | CG | H7 | 72.5° | 174.1° |
| H7 | CG | CD1 | H8 | 62.0° | 177.4° |
| H7 | CG | CD1 | H9 | 58.0° | 62.6° |
| H7 | CG | CD1 | H10 | 178.0° | 57.4° |
| H7 | CG | CD2 | H11 | 62.9° | 60.0° |
| H7 | CG | CD2 | H12 | 57.1° | 60.0° |
| H7 | CG | CD2 | H13 | 177.1° | NaN° |
| H8 | CD1 | H9 | H10 | 120.0° | 120.0° |
| H11 | CD2 | H12 | H13 | 120.0° | 120.0° |
| H14 | C1' | C2' | H15 | 157.6° | 160.2° |
| H15 | C2' | C3' | H16 | 35.8° | 21.4° |
| H15 | C2' | O2' | H24 | 54.4° | 56.4° |
| H16 | C3' | C4' | H17 | 101.5° | 123.9° |
| H16 | C3' | O3' | H25 | 56.2° | 61.1° |
| H17 | C4' | C5' | H19 | 61.6° | 66.0° |
| H17 | C4' | C5' | H20 | 59.2° | 174.0° |
| H18 | C5 | C6 | H21 | 0.2° | 0.0° |
