JW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.26Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.37Å | |
| C4 | O4 | doub | 1.22Å | 1.28Å | |
| C5 | C6 | doub | 1.35Å | 1.41Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | N1 | sing | 1.37Å | 1.36Å | |
| C7 | O7 | sing | 1.43Å | 1.47Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| P | O3P | sing | 1.61Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O1P | doub | 1.48Å | 1.52Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 121.6° | 119.6° |
| O2 | C2 | N3 | 116.7° | 119.5° |
| N1 | C2 | N3 | 121.6° | 120.9° |
| C2 | N1 | C6 | 119.6° | 120.7° |
| C2 | N1 | C1' | 120.5° | 119.6° |
| C2 | N3 | C4 | 121.0° | 120.2° |
| C2 | N3 | HN3 | 119.5° | 119.8° |
| C4 | N3 | HN3 | 119.5° | 119.9° |
| N3 | C4 | C5 | 118.2° | 119.4° |
| N3 | C4 | O4 | 119.8° | 120.3° |
| C5 | C4 | O4 | 122.0° | 120.3° |
| C4 | C5 | C6 | 120.2° | 119.1° |
| C4 | C5 | H5 | 119.9° | 120.4° |
| C6 | C5 | H5 | 119.9° | 120.5° |
| C5 | C6 | C7 | 114.8° | 120.2° |
| C5 | C6 | N1 | 119.3° | 119.7° |
| C7 | C6 | N1 | 124.4° | 120.1° |
| C6 | C7 | O7 | 107.7° | 109.4° |
| C6 | C7 | H71 | 110.0° | 109.5° |
| C6 | C7 | H72 | 110.4° | 109.4° |
| C6 | N1 | C1' | 119.9° | 119.7° |
| O7 | C7 | H71 | 110.1° | 109.5° |
| O7 | C7 | H72 | 110.5° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| H71 | C7 | H72 | 108.1° | 109.5° |
| N1 | C1' | O4' | 109.6° | 110.4° |
| N1 | C1' | C2' | 116.4° | 110.4° |
| N1 | C1' | H1' | 103.6° | 110.3° |
| O4' | C1' | C2' | 106.4° | 104.9° |
| O4' | C1' | H1' | 114.1° | 110.3° |
| C1' | O4' | C4' | 108.7° | 105.3° |
| C2' | C1' | H1' | 107.0° | 110.5° |
| C1' | C2' | O2' | 111.6° | 110.6° |
| C1' | C2' | C3' | 103.1° | 104.0° |
| C1' | C2' | H2' | 112.9° | 110.5° |
| O4' | C4' | C3' | 107.8° | 104.8° |
| O4' | C4' | C5' | 109.7° | 110.4° |
| O4' | C4' | H4' | 111.5° | 110.3° |
| O2' | C2' | C3' | 111.2° | 110.5° |
| O2' | C2' | H2' | 105.0° | 110.5° |
| C2' | O2' | HO'2 | 109.5° | 114.0° |
| C3' | C2' | H2' | 113.3° | 110.6° |
| C2' | C3' | O3' | 111.7° | 110.5° |
| C2' | C3' | C4' | 102.9° | 104.1° |
| C2' | C3' | H3' | 113.1° | 110.5° |
| O3' | C3' | C4' | 111.6° | 110.5° |
| O3' | C3' | H3' | 104.6° | 110.4° |
| C3' | O3' | H3T | 109.5° | 114.0° |
| C4' | C3' | H3' | 113.1° | 110.6° |
| C3' | C4' | C5' | 112.4° | 110.4° |
| C3' | C4' | H4' | 108.8° | 110.4° |
| C5' | C4' | H4' | 106.7° | 110.4° |
| C4' | C5' | O5' | 108.4° | 109.5° |
| C4' | C5' | H5'1 | 109.8° | 109.5° |
| C4' | C5' | H5'2 | 110.0° | 109.5° |
| O5' | C5' | H5'1 | 109.8° | 109.5° |
| O5' | C5' | H5'2 | 110.1° | 109.5° |
| C5' | O5' | P | 124.2° | 123.1° |
| H5'1 | C5' | H5'2 | 108.7° | 109.4° |
| O5' | P | O3P | 103.4° | 109.5° |
| O5' | P | O2P | 106.7° | 109.4° |
| O5' | P | O1P | 105.2° | 109.5° |
| O3P | P | O2P | 114.7° | 109.5° |
| O3P | P | O1P | 113.6° | 109.5° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| O2P | P | O1P | 112.1° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 179.7° | 179.7° |
| O2 | C2 | N3 | C4 | 179.4° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.6° | 0.1° |
| O2 | C2 | N1 | C6 | 179.2° | 179.8° |
| O2 | C2 | N1 | C1' | 0.8° | 0.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| N1 | C2 | N3 | HN3 | 179.2° | 179.8° |
| C2 | N1 | C6 | C5 | 0.5° | 0.5° |
| C2 | N1 | C6 | C7 | 165.5° | 179.8° |
| C2 | N1 | C6 | C1' | 180.0° | 179.8° |
| C2 | N1 | C1' | O4' | 59.9° | 53.6° |
| C2 | N1 | C1' | C2' | 60.8° | 61.9° |
| C2 | N1 | C1' | H1' | 177.9° | 175.8° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.0° | 0.1° |
| C2 | N3 | C4 | O4 | 179.2° | 180.0° |
| N3 | C2 | N1 | C6 | 1.1° | 0.5° |
| N3 | C2 | N1 | C1' | 178.9° | 179.7° |
| N3 | C4 | C5 | O4 | 179.2° | 179.9° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C5 | H5 | 179.4° | 179.9° |
| HN3 | N3 | C4 | C5 | 180.0° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.8° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 166.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.4° | 0.2° |
| O4 | C4 | C5 | C6 | 178.6° | 180.0° |
| O4 | C4 | C5 | H5 | 1.4° | 0.0° |
| C5 | C6 | C7 | N1 | 165.6° | 179.8° |
| C5 | C6 | C7 | O7 | 113.2° | 0.0° |
| C5 | C6 | C7 | H71 | 6.8° | 120.0° |
| C5 | C6 | C7 | H72 | 126.1° | 120.0° |
| C5 | C6 | N1 | C1' | 179.5° | 179.8° |
| H5 | C5 | C6 | C7 | 14.0° | 0.0° |
| H5 | C5 | C6 | N1 | 179.7° | 179.8° |
| C6 | C7 | O7 | H71 | 120.0° | 120.0° |
| C6 | C7 | O7 | H72 | 120.7° | 119.9° |
| C6 | C7 | H71 | H72 | 120.7° | 120.0° |
| C6 | C7 | O7 | HO7 | 31.3° | 180.0° |
| C7 | C6 | N1 | C1' | 14.5° | 0.0° |
| N1 | C6 | C7 | O7 | 52.4° | 179.7° |
| N1 | C6 | C7 | H71 | 172.4° | 59.8° |
| N1 | C6 | C7 | H72 | 68.3° | 60.3° |
| C6 | N1 | C1' | O4' | 120.1° | 126.2° |
| C6 | N1 | C1' | C2' | 119.2° | 118.4° |
| C6 | N1 | C1' | H1' | 2.1° | 4.0° |
| O7 | C7 | H71 | H72 | 120.7° | 120.1° |
| H71 | C7 | O7 | HO7 | 151.3° | 60.0° |
| H72 | C7 | O7 | HO7 | 89.4° | 60.1° |
| N1 | C1' | O4' | C2' | 126.6° | 118.9° |
| N1 | C1' | O4' | H1' | 115.7° | 122.2° |
| N1 | C1' | C2' | H1' | 115.2° | 122.3° |
| N1 | C1' | O4' | C4' | 138.5° | 159.3° |
| N1 | C1' | C2' | O2' | 89.8° | 98.5° |
| N1 | C1' | C2' | C3' | 150.7° | 142.8° |
| N1 | C1' | C2' | H2' | 28.1° | 24.1° |
| O4' | C1' | C2' | H1' | 122.4° | 118.8° |
| O4' | C1' | C2' | O2' | 147.7° | 142.6° |
| O4' | C1' | C2' | C3' | 28.3° | 23.9° |
| O4' | C1' | C2' | H2' | 94.3° | 94.8° |
| C1' | O4' | C4' | C3' | 9.5° | 40.5° |
| C1' | O4' | C4' | C5' | 113.2° | 159.3° |
| C1' | O4' | C4' | H4' | 128.7° | 78.4° |
| C2' | C1' | O4' | C4' | 11.9° | 40.5° |
| C1' | C2' | O2' | C3' | 114.5° | 114.6° |
| C1' | C2' | O2' | H2' | 122.6° | 122.6° |
| C1' | C2' | C3' | H2' | 122.3° | 118.6° |
| C1' | C2' | O2' | HO'2 | 20.3° | 179.9° |
| C1' | C2' | C3' | O3' | 87.0° | 118.7° |
| C1' | C2' | C3' | C4' | 32.9° | 0.0° |
| C1' | C2' | C3' | H3' | 155.3° | 118.8° |
| H1' | C1' | O4' | C4' | 105.9° | 78.5° |
| H1' | C1' | C2' | O2' | 25.4° | 23.8° |
| H1' | C1' | C2' | C3' | 94.0° | 94.9° |
| H1' | C1' | C2' | H2' | 143.3° | 146.4° |
| O4' | C4' | C3' | C2' | 27.0° | 24.0° |
| O4' | C4' | C3' | O3' | 93.0° | 142.6° |
| O4' | C4' | C3' | C5' | 121.0° | 118.8° |
| O4' | C4' | C3' | H4' | 121.0° | 118.8° |
| O4' | C4' | C3' | H3' | 149.4° | 94.7° |
| O4' | C4' | C5' | H4' | 120.9° | 122.2° |
| O4' | C4' | C5' | O5' | 174.3° | 66.4° |
| O4' | C4' | C5' | H5'1 | 65.7° | 173.5° |
| O4' | C4' | C5' | H5'2 | 53.9° | 53.6° |
| O2' | C2' | C3' | H2' | 118.0° | 122.7° |
| O2' | C2' | C3' | O3' | 32.7° | 0.0° |
| O2' | C2' | C3' | C4' | 152.6° | 118.6° |
| O2' | C2' | C3' | H3' | 85.0° | 122.6° |
| C3' | C2' | O2' | HO'2 | 94.1° | 65.3° |
| C2' | C3' | O3' | C4' | 114.7° | 114.6° |
| C2' | C3' | O3' | H3' | 122.6° | 122.6° |
| C2' | C3' | C4' | H3' | 122.4° | 118.7° |
| C2' | C3' | O3' | H3T | 132.4° | 61.4° |
| C2' | C3' | C4' | C5' | 94.0° | 142.8° |
| C2' | C3' | C4' | H4' | 148.0° | 94.8° |
| H2' | C2' | O2' | HO'2 | 143.0° | 57.4° |
| H2' | C2' | C3' | O3' | 150.7° | 122.7° |
| H2' | C2' | C3' | C4' | 89.4° | 118.7° |
| H2' | C2' | C3' | H3' | 33.0° | 0.1° |
| O3' | C3' | C4' | H3' | 117.7° | 122.6° |
| O3' | C3' | C4' | C5' | 146.0° | 98.5° |
| O3' | C3' | C4' | H4' | 28.0° | 23.8° |
| C4' | C3' | O3' | H3T | 113.0° | 176.1° |
| C3' | C4' | C5' | H4' | 119.2° | 122.4° |
| C3' | C4' | C5' | O5' | 65.8° | 178.2° |
| C3' | C4' | C5' | H5'1 | 54.2° | 58.1° |
| C3' | C4' | C5' | H5'2 | 173.8° | 61.8° |
| H3' | C3' | O3' | H3T | 9.7° | 61.2° |
| H3' | C3' | C4' | C5' | 28.3° | 24.1° |
| H3' | C3' | C4' | H4' | 89.6° | 146.4° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.1° |
| C4' | C5' | O5' | H5'2 | 120.4° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 120.4° | 120.0° |
| C4' | C5' | O5' | P | 175.3° | 180.0° |
| H4' | C4' | C5' | O5' | 53.4° | 55.8° |
| H4' | C4' | C5' | H5'1 | 173.4° | 64.2° |
| H4' | C4' | C5' | H5'2 | 67.0° | 175.8° |
| O5' | C5' | H5'1 | H5'2 | 120.4° | 119.9° |
| C5' | O5' | P | O3P | 169.8° | 175.0° |
| C5' | O5' | P | O2P | 48.5° | 65.0° |
| C5' | O5' | P | O1P | 70.7° | 55.0° |
| H5'1 | C5' | O5' | P | 64.7° | 59.9° |
| H5'2 | C5' | O5' | P | 54.9° | 60.0° |
| O5' | P | O3P | O2P | 115.8° | 120.0° |
| O5' | P | O3P | O1P | 113.5° | 120.0° |
| O5' | P | O2P | O1P | 114.7° | 119.9° |
| O5' | P | O3P | HOP3 | 152.5° | 180.0° |
| O5' | P | O2P | HOP2 | 42.5° | 60.1° |
| O3P | P | O2P | O1P | 131.5° | 120.0° |
| O3P | P | O2P | HOP2 | 156.4° | 60.0° |
| O2P | P | O3P | HOP3 | 36.7° | 60.0° |
| O1P | P | O3P | HOP3 | 94.0° | 60.0° |
| O1P | P | O2P | HOP2 | 72.1° | 180.0° |
