GSU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| S | N10 | sing | 1.66Å | 1.65Å | |
| S | O1S | doub | 1.42Å | 1.46Å | |
| S | O2S | doub | 1.42Å | 1.47Å | |
| S | O5' | sing | 1.52Å | 1.59Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | OE1 | sing | 1.34Å | 1.22Å | |
| CD | OE2 | doub | 1.21Å | 1.31Å | |
| OE1 | HE1 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N10 | sing | 1.35Å | 1.35Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.47Å | 1.53Å | |
| C1' | C2' | sing | 1.55Å | 1.56Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 127.7° | 122.4° |
| N3 | C2 | HC2 | 116.2° | 118.8° |
| C2 | N3 | C4 | 111.9° | 120.6° |
| N1 | C2 | HC2 | 116.1° | 118.8° |
| C2 | N1 | C6 | 118.9° | 121.2° |
| N10 | S | O1S | 109.5° | 105.8° |
| N10 | S | O2S | 108.5° | 105.7° |
| N10 | S | O5' | 111.1° | 107.4° |
| S | N10 | C | 125.3° | 120.0° |
| S | N10 | H10 | 117.4° | 120.0° |
| O1S | S | O2S | 111.8° | 125.4° |
| O1S | S | O5' | 107.1° | 105.8° |
| O2S | S | O5' | 109.0° | 105.7° |
| S | O5' | C5' | 117.2° | 106.8° |
| CA | N | H | 109.4° | 106.7° |
| CA | N | H2 | 109.5° | 106.7° |
| N | CA | CB | 102.4° | 109.4° |
| N | CA | C | 112.1° | 109.5° |
| N | CA | HA | 111.8° | 109.4° |
| H | N | H2 | 109.5° | 106.7° |
| CB | CA | C | 107.7° | 109.5° |
| CB | CA | HA | 116.0° | 109.5° |
| CA | CB | CG | 117.9° | 109.5° |
| CA | CB | HB2 | 104.8° | 109.5° |
| CA | CB | HB3 | 106.8° | 109.5° |
| C | CA | HA | 106.9° | 109.5° |
| CA | C | O | 124.6° | 120.0° |
| CA | C | N10 | 113.7° | 120.0° |
| CG | CB | HB2 | 104.8° | 109.5° |
| CG | CB | HB3 | 106.7° | 109.5° |
| CB | CG | CD | 111.3° | 109.5° |
| CB | CG | HG2 | 108.5° | 109.5° |
| CB | CG | HG3 | 108.9° | 109.4° |
| HB2 | CB | HB3 | 116.3° | 109.4° |
| CD | CG | HG2 | 108.4° | 109.5° |
| CD | CG | HG3 | 108.9° | 109.4° |
| CG | CD | OE1 | 122.0° | 120.0° |
| CG | CD | OE2 | 115.6° | 120.0° |
| HG2 | CG | HG3 | 110.9° | 109.5° |
| OE1 | CD | OE2 | 122.4° | 120.0° |
| CD | OE1 | HE1 | 109.5° | 120.0° |
| O | C | N10 | 121.7° | 120.0° |
| C | N10 | H10 | 117.3° | 120.0° |
| O5' | C5' | C4' | 116.3° | 109.5° |
| O5' | C5' | H5'1 | 105.7° | 109.5° |
| O5' | C5' | H5'2 | 107.3° | 109.5° |
| C4' | C5' | H5'1 | 105.7° | 109.5° |
| C4' | C5' | H5'2 | 107.2° | 109.5° |
| C5' | C4' | O4' | 109.8° | 109.9° |
| C5' | C4' | C3' | 108.7° | 109.9° |
| C5' | C4' | H4' | 109.1° | 109.9° |
| H5'1 | C5' | H5'2 | 115.0° | 109.5° |
| O4' | C4' | C3' | 107.2° | 107.4° |
| O4' | C4' | H4' | 110.5° | 109.9° |
| C4' | O4' | C1' | 108.9° | 107.0° |
| C3' | C4' | H4' | 111.5° | 109.9° |
| C4' | C3' | C2' | 104.2° | 104.1° |
| C4' | C3' | O3' | 111.2° | 110.8° |
| C4' | C3' | H3' | 112.3° | 110.5° |
| O4' | C1' | N9 | 111.4° | 110.6° |
| O4' | C1' | C2' | 106.8° | 103.5° |
| O4' | C1' | H1' | 112.1° | 110.6° |
| N9 | C1' | C2' | 115.1° | 110.7° |
| N9 | C1' | H1' | 103.3° | 110.6° |
| C1' | N9 | C4 | 126.0° | 126.3° |
| C1' | N9 | C8 | 129.4° | 126.3° |
| C2' | C1' | H1' | 108.3° | 110.6° |
| C1' | C2' | O2' | 113.0° | 110.9° |
| C1' | C2' | C3' | 99.3° | 102.1° |
| C1' | C2' | H2' | 116.5° | 110.9° |
| C4 | N9 | C8 | 104.6° | 107.4° |
| N9 | C4 | N3 | 126.3° | 134.9° |
| N9 | C4 | C5 | 106.3° | 106.0° |
| N9 | C8 | N7 | 114.1° | 109.9° |
| N9 | C8 | H8 | 122.9° | 125.0° |
| N3 | C4 | C5 | 127.3° | 119.1° |
| C4 | C5 | C6 | 116.0° | 118.2° |
| C4 | C5 | N7 | 110.9° | 107.1° |
| N1 | C6 | N6 | 119.1° | 120.8° |
| N1 | C6 | C5 | 118.2° | 118.5° |
| N6 | C6 | C5 | 122.8° | 120.8° |
| C6 | N6 | HN61 | 109.4° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | C5 | N7 | 133.1° | 134.7° |
| HN61 | N6 | HN62 | 109.5° | 120.1° |
| C5 | N7 | C8 | 104.1° | 109.5° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| O2' | C2' | C3' | 116.4° | 110.9° |
| O2' | C2' | H2' | 99.5° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 106.8° |
| C3' | C2' | H2' | 113.1° | 111.0° |
| C2' | C3' | O3' | 110.7° | 110.4° |
| C2' | C3' | H3' | 112.8° | 110.5° |
| O3' | C3' | H3' | 105.9° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | HC2 | 180.0° | 179.9° |
| C2 | N3 | C4 | N9 | 179.8° | 179.6° |
| C2 | N3 | C4 | C5 | 0.3° | 0.6° |
| N3 | C2 | N1 | C6 | 0.2° | 0.1° |
| N1 | C2 | N3 | C4 | 0.3° | 0.4° |
| C2 | N1 | C6 | N6 | 179.9° | 179.9° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| HC2 | C2 | N3 | C4 | 179.8° | 179.7° |
| HC2 | C2 | N1 | C6 | 179.8° | 180.0° |
| N10 | S | O1S | O2S | 120.2° | 123.1° |
| N10 | S | O1S | O5' | 120.5° | 113.7° |
| N10 | S | O2S | O5' | 121.1° | 113.7° |
| S | N10 | C | CA | 178.9° | 180.0° |
| S | N10 | C | O | 0.1° | 0.0° |
| S | N10 | C | H10 | 180.0° | 179.9° |
| N10 | S | O5' | C5' | 51.3° | 75.0° |
| O1S | S | O2S | O5' | 118.1° | 123.2° |
| O1S | S | N10 | C | 59.7° | 177.6° |
| O1S | S | N10 | H10 | 120.3° | 2.3° |
| O1S | S | O5' | C5' | 170.8° | 37.6° |
| O2S | S | N10 | C | 178.1° | 47.6° |
| O2S | S | N10 | H10 | 1.9° | 132.5° |
| O2S | S | O5' | C5' | 68.1° | 172.4° |
| O5' | S | N10 | C | 58.3° | 64.9° |
| O5' | S | N10 | H10 | 121.6° | 115.0° |
| S | O5' | C5' | C4' | 156.0° | 180.0° |
| S | O5' | C5' | H5'1 | 87.1° | 60.0° |
| S | O5' | C5' | H5'2 | 36.1° | 60.0° |
| CA | N | H | H2 | 120.0° | 113.7° |
| N | CA | CB | C | 118.4° | 120.0° |
| N | CA | CB | HA | 122.0° | 120.0° |
| N | CA | C | HA | 122.8° | 120.0° |
| N | CA | CB | CG | 161.3° | 65.0° |
| N | CA | CB | HB2 | 82.7° | 55.1° |
| N | CA | CB | HB3 | 41.3° | 175.0° |
| N | CA | C | O | 178.3° | 20.0° |
| N | CA | C | N10 | 2.7° | 160.0° |
| H | N | CA | CB | 122.7° | 173.8° |
| H | N | CA | C | 122.1° | 53.7° |
| H | N | CA | HA | 2.0° | 66.3° |
| H2 | N | CA | CB | 2.8° | 60.1° |
| H2 | N | CA | C | 117.9° | 60.0° |
| H2 | N | CA | HA | 122.0° | 179.9° |
| CB | CA | C | HA | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 116.0° | 120.1° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 117.7° | 120.0° |
| CA | CB | CG | CD | 171.1° | 180.0° |
| CA | CB | CG | HG2 | 51.9° | 59.9° |
| CA | CB | CG | HG3 | 68.9° | 60.0° |
| CB | CA | C | O | 69.8° | 100.0° |
| CB | CA | C | N10 | 109.2° | 80.0° |
| C | CA | CB | CG | 80.4° | 175.0° |
| C | CA | CB | HB2 | 35.7° | 65.0° |
| C | CA | CB | HB3 | 159.6° | 55.0° |
| CA | C | O | N10 | 178.9° | 180.0° |
| CA | C | N10 | H10 | 1.1° | 0.1° |
| HA | CA | CB | CG | 39.3° | 55.0° |
| HA | CA | CB | HB2 | 155.3° | 175.0° |
| HA | CA | CB | HB3 | 80.7° | 65.0° |
| HA | CA | C | O | 55.5° | 140.0° |
| HA | CA | C | N10 | 125.6° | 40.0° |
| CG | CB | HB2 | HB3 | 117.6° | 120.0° |
| CB | CG | CD | HG2 | 119.2° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 119.5° | 120.0° |
| CB | CG | CD | OE1 | 118.7° | 180.0° |
| CB | CG | CD | OE2 | 60.5° | 0.0° |
| HB2 | CB | CG | CD | 72.8° | 60.0° |
| HB2 | CB | CG | HG2 | 168.0° | 180.0° |
| HB2 | CB | CG | HG3 | 47.2° | 60.0° |
| HB3 | CB | CG | CD | 51.1° | 60.0° |
| HB3 | CB | CG | HG2 | 68.1° | 60.0° |
| HB3 | CB | CG | HG3 | 171.1° | 180.0° |
| CD | CG | HG2 | HG3 | 119.5° | 120.0° |
| CG | CD | OE1 | OE2 | 179.2° | 180.0° |
| CG | CD | OE1 | HE1 | 179.2° | 180.0° |
| HG2 | CG | CD | OE1 | 0.5° | 59.9° |
| HG2 | CG | CD | OE2 | 179.8° | 120.0° |
| HG3 | CG | CD | OE1 | 121.3° | 60.0° |
| HG3 | CG | CD | OE2 | 59.5° | 120.0° |
| OE2 | CD | OE1 | HE1 | 0.0° | 0.0° |
| O | C | N10 | H10 | 179.9° | 179.9° |
| O5' | C5' | C4' | H5'1 | 116.9° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.1° | 120.0° |
| O5' | C5' | C4' | O4' | 47.0° | 66.7° |
| O5' | C5' | C4' | C3' | 70.0° | 175.3° |
| O5' | C5' | C4' | H4' | 168.2° | 54.3° |
| C4' | C5' | H5'1 | H5'2 | 118.1° | 120.0° |
| C5' | C4' | O4' | C3' | 118.0° | 119.5° |
| C5' | C4' | O4' | H4' | 120.3° | 121.0° |
| C5' | C4' | C3' | H4' | 120.3° | 121.0° |
| C5' | C4' | O4' | C1' | 115.1° | 145.9° |
| C5' | C4' | C3' | C2' | 93.5° | 121.4° |
| C5' | C4' | C3' | O3' | 147.3° | 119.9° |
| C5' | C4' | C3' | H3' | 28.9° | 2.8° |
| H5'1 | C5' | C4' | O4' | 69.8° | 53.3° |
| H5'1 | C5' | C4' | C3' | 173.1° | 64.7° |
| H5'1 | C5' | C4' | H4' | 51.4° | 174.3° |
| H5'2 | C5' | C4' | O4' | 167.0° | 173.3° |
| H5'2 | C5' | C4' | C3' | 50.0° | 55.3° |
| H5'2 | C5' | C4' | H4' | 71.8° | 65.7° |
| O4' | C4' | C3' | H4' | 121.1° | 119.5° |
| C4' | O4' | C1' | N9 | 146.5° | 158.7° |
| C4' | O4' | C1' | C2' | 20.1° | 40.1° |
| C4' | O4' | C1' | H1' | 98.3° | 78.4° |
| O4' | C4' | C3' | C2' | 25.2° | 1.9° |
| O4' | C4' | C3' | O3' | 94.0° | 120.6° |
| O4' | C4' | C3' | H3' | 147.5° | 116.7° |
| C3' | C4' | O4' | C1' | 2.9° | 26.5° |
| C4' | C3' | C2' | C1' | 34.7° | 21.0° |
| C4' | C3' | C2' | O2' | 156.3° | 139.2° |
| C4' | C3' | C2' | O3' | 119.6° | 118.9° |
| C4' | C3' | C2' | H3' | 122.0° | 118.6° |
| C4' | C3' | C2' | H2' | 89.4° | 97.2° |
| C4' | C3' | O3' | H3' | 122.2° | 122.7° |
| C4' | C3' | O3' | HO3' | 116.3° | 176.2° |
| H4' | C4' | O4' | C1' | 124.6° | 93.0° |
| H4' | C4' | C3' | C2' | 146.3° | 117.6° |
| H4' | C4' | C3' | O3' | 27.0° | 1.1° |
| H4' | C4' | C3' | H3' | 91.4° | 123.8° |
| O4' | C1' | N9 | C2' | 121.7° | 114.1° |
| O4' | C1' | N9 | H1' | 120.6° | 122.9° |
| O4' | C1' | C2' | H1' | 120.9° | 118.5° |
| O4' | C1' | N9 | C4 | 111.2° | 156.7° |
| O4' | C1' | N9 | C8 | 68.7° | 23.5° |
| O4' | C1' | C2' | O2' | 158.3° | 155.3° |
| O4' | C1' | C2' | C3' | 34.3° | 37.1° |
| O4' | C1' | C2' | H2' | 87.4° | 81.2° |
| N9 | C1' | C2' | H1' | 114.9° | 122.9° |
| C1' | N9 | C4 | C8 | 180.0° | 179.8° |
| C1' | N9 | C4 | N3 | 0.2° | 0.8° |
| C1' | N9 | C4 | C5 | 179.8° | 179.8° |
| C1' | N9 | C8 | N7 | 179.8° | 180.0° |
| C1' | N9 | C8 | H8 | 0.2° | 0.1° |
| N9 | C1' | C2' | O2' | 77.6° | 86.2° |
| N9 | C1' | C2' | C3' | 158.4° | 155.6° |
| N9 | C1' | C2' | H2' | 36.7° | 37.4° |
| C2' | C1' | N9 | C4 | 127.1° | 89.1° |
| C2' | C1' | N9 | C8 | 52.9° | 90.6° |
| C1' | C2' | O2' | C3' | 114.0° | 112.7° |
| C1' | C2' | O2' | H2' | 124.2° | 123.6° |
| C1' | C2' | C3' | H2' | 124.1° | 118.2° |
| C1' | C2' | O2' | HO2' | 89.0° | 180.0° |
| C1' | C2' | C3' | O3' | 84.9° | 97.9° |
| C1' | C2' | C3' | H3' | 156.7° | 139.6° |
| H1' | C1' | N9 | C4 | 9.4° | 33.8° |
| H1' | C1' | N9 | C8 | 170.7° | 146.4° |
| H1' | C1' | C2' | O2' | 37.4° | 36.8° |
| H1' | C1' | C2' | C3' | 86.6° | 81.4° |
| H1' | C1' | C2' | H2' | 151.7° | 160.3° |
| N9 | C4 | N3 | C5 | 179.5° | 179.0° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| C4 | N9 | C8 | N7 | 0.2° | 0.2° |
| C4 | N9 | C8 | H8 | 179.8° | 179.7° |
| C8 | N9 | C4 | N3 | 179.8° | 179.5° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| N9 | C8 | N7 | C5 | 0.0° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.3° | 0.6° |
| N3 | C4 | C5 | N7 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N7 | 179.8° | 179.7° |
| C4 | C5 | N7 | C8 | 0.2° | 0.3° |
| N1 | C6 | N6 | C5 | 179.7° | 180.0° |
| N1 | C6 | N6 | HN61 | 179.1° | 179.9° |
| N1 | C6 | N6 | HN62 | 59.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C5 | C6 | N6 | HN61 | 1.2° | 0.0° |
| C5 | C6 | N6 | HN62 | 121.2° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| O2' | C2' | C3' | H2' | 114.3° | 123.6° |
| O2' | C2' | C3' | O3' | 36.7° | 20.3° |
| O2' | C2' | C3' | H3' | 81.7° | 102.2° |
| C3' | C2' | O2' | HO2' | 156.9° | 67.3° |
| C2' | C3' | O3' | H3' | 122.5° | 122.5° |
| C2' | C3' | O3' | HO3' | 1.1° | 61.5° |
| H2' | C2' | O2' | HO2' | 35.2° | 56.4° |
| H2' | C2' | C3' | O3' | 151.0° | 143.9° |
| H2' | C2' | C3' | H3' | 32.6° | 21.4° |
| H3' | C3' | O3' | HO3' | 121.4° | 61.1° |
