4SC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.46Å | |
| P | O5' | sing | 1.61Å | 1.66Å | |
| O5' | C5' | sing | 1.43Å | 1.48Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | S4' | sing | 1.84Å | 1.83Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| S4' | C1' | sing | 1.83Å | 1.83Å | |
| C3' | O3' | sing | 1.43Å | 1.53Å | |
| C3' | C2' | sing | 1.53Å | 1.59Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.35Å | 1.41Å | |
| N1 | C6 | sing | 1.36Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.33Å | 1.39Å | |
| N3 | C4 | doub | 1.33Å | 1.39Å | |
| C4 | N4 | sing | 1.38Å | 1.39Å | |
| C4 | C5 | sing | 1.41Å | 1.48Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| C5 | C5M | sing | 1.51Å | 1.60Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C5M | H71 | sing | 1.09Å | 1.10Å | |
| C5M | H72 | sing | 1.09Å | 1.10Å | |
| C5M | H73 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 100.67Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 117.6° | 109.4° |
| OP1 | P | O5' | 105.6° | 109.5° |
| OP1 | P | OP3 | 52.5° | 109.5° |
| OP2 | P | O5' | 106.5° | 109.4° |
| OP2 | P | OP3 | 83.8° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | O5' | C5' | 121.4° | 123.0° |
| O5' | P | OP3 | 78.9° | 109.5° |
| O5' | C5' | C4' | 109.8° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.4° |
| O5' | C5' | H5'' | 109.3° | 109.5° |
| C4' | C5' | H5' | 109.4° | 109.4° |
| C4' | C5' | H5'' | 109.4° | 109.5° |
| C5' | C4' | S4' | 101.7° | 111.1° |
| C5' | C4' | C3' | 113.1° | 111.1° |
| C5' | C4' | H4' | 112.0° | 111.1° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| S4' | C4' | C3' | 108.7° | 100.9° |
| S4' | C4' | H4' | 108.4° | 111.1° |
| C4' | S4' | C1' | 91.0° | 95.8° |
| C3' | C4' | H4' | 112.2° | 111.2° |
| C4' | C3' | O3' | 111.9° | 109.6° |
| C4' | C3' | C2' | 103.0° | 109.0° |
| C4' | C3' | H3' | 111.0° | 109.6° |
| S4' | C1' | C2' | 110.8° | 105.0° |
| S4' | C1' | N1 | 113.4° | 110.3° |
| S4' | C1' | H1' | 100.6° | 110.4° |
| O3' | C3' | C2' | 109.5° | 109.6° |
| O3' | C3' | H3' | 110.9° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 110.2° | 109.4° |
| C3' | C2' | C1' | 107.9° | 112.5° |
| C3' | C2' | H2' | 109.8° | 108.9° |
| C3' | C2' | H2'' | 109.9° | 108.9° |
| C1' | C2' | H2' | 109.8° | 108.9° |
| C1' | C2' | H2'' | 109.8° | 108.9° |
| C2' | C1' | N1 | 122.7° | 110.4° |
| C2' | C1' | H1' | 102.6° | 110.3° |
| H2' | C2' | H2'' | 109.5° | 108.7° |
| N1 | C1' | H1' | 103.1° | 110.4° |
| C1' | N1 | C2 | 116.3° | 119.8° |
| C1' | N1 | C6 | 124.1° | 119.8° |
| C2 | N1 | C6 | 119.6° | 120.4° |
| N1 | C2 | O2 | 118.2° | 119.4° |
| N1 | C2 | N3 | 119.8° | 121.1° |
| N1 | C6 | C5 | 122.3° | 119.3° |
| N1 | C6 | H61 | 118.9° | 120.4° |
| O2 | C2 | N3 | 122.0° | 119.5° |
| C2 | N3 | C4 | 122.3° | 120.7° |
| N3 | C4 | N4 | 120.5° | 120.2° |
| N3 | C4 | C5 | 117.4° | 119.7° |
| N4 | C4 | C5 | 121.8° | 120.1° |
| C4 | N4 | HN41 | 120.0° | 119.9° |
| C4 | N4 | HN42 | 120.0° | 120.0° |
| C4 | C5 | C6 | 118.6° | 118.9° |
| C4 | C5 | C5M | 93.7° | 120.5° |
| HN41 | N4 | HN42 | 120.0° | 120.0° |
| C6 | C5 | C5M | 112.5° | 120.5° |
| C5 | C6 | H61 | 118.9° | 120.3° |
| C5 | C5M | H71 | 109.5° | 109.4° |
| C5 | C5M | H72 | 109.5° | 109.5° |
| C5 | C5M | H73 | 109.5° | 109.5° |
| H71 | C5M | H72 | 109.4° | 109.4° |
| H71 | C5M | H73 | 109.5° | 109.5° |
| H72 | C5M | H73 | 109.5° | 109.5° |
| P | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 118.2° | 120.0° |
| OP1 | P | OP2 | OP3 | 41.6° | 120.0° |
| OP1 | P | O5' | OP3 | 45.6° | 120.0° |
| OP1 | P | O5' | C5' | 160.3° | 55.1° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.1° |
| OP1 | P | OP3 | HOP3 | 90.0° | 180.0° |
| OP2 | P | O5' | OP3 | 80.1° | 120.0° |
| OP2 | P | O5' | C5' | 34.5° | 175.1° |
| OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
| P | O5' | C5' | C4' | 166.2° | 180.0° |
| P | O5' | C5' | H5' | 46.1° | 60.0° |
| P | O5' | C5' | H5'' | 73.7° | 59.9° |
| O5' | P | OP2 | HOP2 | 118.2° | 179.9° |
| O5' | P | OP3 | HOP3 | 90.0° | 60.0° |
| O5' | C5' | C4' | H5' | 120.1° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.0° | 120.1° |
| O5' | C5' | H5' | H5'' | 119.8° | 120.0° |
| O5' | C5' | C4' | S4' | 60.7° | 63.6° |
| O5' | C5' | C4' | C3' | 177.2° | 47.9° |
| O5' | C5' | C4' | H4' | 54.8° | 172.2° |
| C5' | O5' | P | OP3 | 114.6° | 64.9° |
| C4' | C5' | H5' | H5'' | 119.8° | 120.0° |
| C5' | C4' | S4' | C3' | 119.6° | 117.9° |
| C5' | C4' | S4' | H4' | 118.1° | 124.2° |
| C5' | C4' | C3' | H4' | 127.9° | 124.2° |
| C5' | C4' | S4' | C1' | 149.3° | 153.3° |
| C5' | C4' | C3' | O3' | 86.0° | 80.8° |
| C5' | C4' | C3' | C2' | 156.5° | 159.3° |
| C5' | C4' | C3' | H3' | 38.5° | 39.6° |
| H5' | C5' | C4' | S4' | 59.3° | 176.4° |
| H5' | C5' | C4' | C3' | 57.1° | 72.1° |
| H5' | C5' | C4' | H4' | 174.9° | 52.2° |
| H5'' | C5' | C4' | S4' | 179.2° | 56.5° |
| H5'' | C5' | C4' | C3' | 62.8° | 168.0° |
| H5'' | C5' | C4' | H4' | 65.2° | 67.7° |
| S4' | C4' | C3' | H4' | 119.9° | 117.9° |
| S4' | C4' | C3' | O3' | 161.8° | 161.4° |
| S4' | C4' | C3' | C2' | 44.3° | 41.4° |
| S4' | C4' | C3' | H3' | 73.6° | 78.3° |
| C4' | S4' | C1' | C2' | 5.0° | 19.8° |
| C4' | S4' | C1' | N1 | 147.6° | 138.6° |
| C4' | S4' | C1' | H1' | 103.0° | 99.1° |
| C3' | C4' | S4' | C1' | 29.7° | 35.4° |
| C4' | C3' | O3' | C2' | 113.6° | 119.5° |
| C4' | C3' | O3' | H3' | 124.6° | 120.4° |
| C4' | C3' | C2' | H3' | 118.5° | 119.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | C1' | 40.0° | 30.1° |
| C4' | C3' | C2' | H2' | 159.8° | 150.9° |
| C4' | C3' | C2' | H2'' | 79.7° | 90.7° |
| H4' | C4' | S4' | C1' | 92.5° | 82.6° |
| H4' | C4' | C3' | O3' | 41.9° | 43.5° |
| H4' | C4' | C3' | C2' | 75.6° | 76.5° |
| H4' | C4' | C3' | H3' | 166.4° | 163.8° |
| S4' | C1' | C2' | C3' | 19.8° | 2.8° |
| S4' | C1' | C2' | N1 | 138.5° | 118.8° |
| S4' | C1' | C2' | H1' | 106.7° | 118.9° |
| S4' | C1' | C2' | H2' | 139.6° | 123.6° |
| S4' | C1' | C2' | H2'' | 99.9° | 118.0° |
| S4' | C1' | N1 | H1' | 107.9° | 122.2° |
| S4' | C1' | N1 | C2 | 54.7° | 63.6° |
| S4' | C1' | N1 | C6 | 121.7° | 116.7° |
| O3' | C3' | C2' | H3' | 122.3° | 120.2° |
| O3' | C3' | C2' | C1' | 159.3° | 150.1° |
| O3' | C3' | C2' | H2' | 81.0° | 89.2° |
| O3' | C3' | C2' | H2'' | 39.5° | 29.2° |
| C2' | C3' | O3' | HO3' | 66.5° | 60.5° |
| C3' | C2' | C1' | H2' | 119.7° | 120.8° |
| C3' | C2' | C1' | H2'' | 119.8° | 120.8° |
| C3' | C2' | H2' | H2'' | 120.7° | 118.5° |
| C3' | C2' | C1' | N1 | 118.7° | 116.0° |
| C3' | C2' | C1' | H1' | 126.5° | 121.7° |
| H3' | C3' | O3' | HO3' | 55.4° | 59.6° |
| H3' | C3' | C2' | C1' | 78.5° | 89.7° |
| H3' | C3' | C2' | H2' | 41.3° | 31.1° |
| H3' | C3' | C2' | H2'' | 161.8° | 149.5° |
| C1' | C2' | H2' | H2'' | 120.7° | 118.5° |
| C2' | C1' | N1 | H1' | 114.6° | 122.2° |
| C2' | C1' | N1 | C2 | 167.8° | 51.9° |
| C2' | C1' | N1 | C6 | 15.8° | 127.7° |
| H2' | C2' | C1' | N1 | 1.1° | 4.8° |
| H2' | C2' | C1' | H1' | 113.8° | 117.5° |
| H2'' | C2' | C1' | N1 | 121.5° | 123.2° |
| H2'' | C2' | C1' | H1' | 6.7° | 0.9° |
| C1' | N1 | C2 | C6 | 176.6° | 179.7° |
| C1' | N1 | C2 | O2 | 6.7° | 0.1° |
| C1' | N1 | C2 | N3 | 175.0° | 180.0° |
| C1' | N1 | C6 | C5 | 175.2° | 179.8° |
| C1' | N1 | C6 | H61 | 4.8° | 0.0° |
| H1' | C1' | N1 | C2 | 53.2° | 174.2° |
| H1' | C1' | N1 | C6 | 130.4° | 5.5° |
| N1 | C2 | O2 | N3 | 178.3° | 179.9° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.6° |
| C2 | N1 | C6 | H61 | 178.9° | 179.6° |
| C6 | N1 | C2 | O2 | 176.7° | 179.8° |
| C6 | N1 | C2 | N3 | 1.6° | 0.3° |
| N1 | C6 | C5 | C4 | 0.5° | 0.5° |
| N1 | C6 | C5 | H61 | 180.0° | 179.8° |
| N1 | C6 | C5 | C5M | 107.4° | 179.7° |
| O2 | C2 | N3 | C4 | 177.8° | 180.0° |
| C2 | N3 | C4 | N4 | 172.5° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.0° |
| N3 | C4 | N4 | C5 | 173.4° | 180.0° |
| N3 | C4 | N4 | HN41 | 0.0° | 0.1° |
| N3 | C4 | N4 | HN42 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 1.6° | 0.3° |
| N3 | C4 | C5 | C5M | 116.6° | 180.0° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.9° |
| N4 | C4 | C5 | C6 | 172.0° | 179.7° |
| N4 | C4 | C5 | C5M | 69.8° | 0.0° |
| C5 | C4 | N4 | HN41 | 173.5° | 180.0° |
| C5 | C4 | N4 | HN42 | 6.6° | 0.0° |
| C4 | C5 | C6 | C5M | 107.8° | 179.8° |
| C4 | C5 | C6 | H61 | 179.5° | 179.6° |
| C4 | C5 | C5M | H71 | 180.0° | 0.0° |
| C4 | C5 | C5M | H72 | 60.0° | 119.9° |
| C4 | C5 | C5M | H73 | 60.0° | 120.0° |
| C6 | C5 | C5M | H71 | 56.8° | 179.7° |
| C6 | C5 | C5M | H72 | 63.1° | 59.8° |
| C6 | C5 | C5M | H73 | 176.8° | 60.3° |
| C5M | C5 | C6 | H61 | 72.7° | 0.1° |
| C5 | C5M | H71 | H72 | 120.0° | 120.0° |
| C5 | C5M | H71 | H73 | 120.0° | 120.0° |
| C5 | C5M | H72 | H73 | 120.0° | 120.0° |
| H71 | C5M | H72 | H73 | 120.0° | 120.0° |
| OP3 | P | OP2 | HOP2 | 41.6° | 59.9° |
