GTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.52Å | |
| PG | O2G | sing | 1.61Å | 1.52Å | |
| PG | O3G | sing | 1.61Å | 1.44Å | |
| PG | O3B | sing | 1.61Å | 1.65Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| O3B | PB | sing | 1.61Å | 1.65Å | |
| PB | O1B | doub | 1.48Å | 1.53Å | |
| PB | O2B | sing | 1.61Å | 1.47Å | |
| PB | O3A | sing | 1.61Å | 1.56Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.45Å | |
| PA | O2A | sing | 1.61Å | 1.54Å | |
| PA | O5' | sing | 1.61Å | 1.66Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.61Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.56Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.32Å | |
| C2' | C1' | sing | 1.55Å | 1.72Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.26Å | |
| C5 | C4 | doub | 1.40Å | 1.31Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.27Å | |
| C6 | N1 | sing | 1.35Å | 1.50Å | |
| N1 | C2 | sing | 1.36Å | 1.28Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.50Å | |
| C2 | N3 | doub | 1.32Å | 1.32Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 115.3° | 109.4° |
| O1G | PG | O3G | 110.3° | 109.5° |
| O1G | PG | O3B | 102.1° | 109.4° |
| O2G | PG | O3G | 116.2° | 109.5° |
| O2G | PG | O3B | 106.1° | 109.5° |
| PG | O2G | HOG2 | 109.5° | 114.0° |
| O3G | PG | O3B | 105.2° | 109.5° |
| PG | O3G | HOG3 | 109.5° | 114.0° |
| PG | O3B | PB | 130.0° | 134.0° |
| O3B | PB | O1B | 108.0° | 109.4° |
| O3B | PB | O2B | 109.7° | 109.5° |
| O3B | PB | O3A | 101.0° | 109.5° |
| O1B | PB | O2B | 117.3° | 109.5° |
| O1B | PB | O3A | 110.1° | 109.5° |
| O2B | PB | O3A | 109.5° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 114.0° |
| PB | O3A | PA | 129.9° | 134.0° |
| O3A | PA | O1A | 112.1° | 109.5° |
| O3A | PA | O2A | 106.3° | 109.5° |
| O3A | PA | O5' | 100.9° | 109.5° |
| O1A | PA | O2A | 118.9° | 109.4° |
| O1A | PA | O5' | 105.5° | 109.5° |
| O2A | PA | O5' | 111.8° | 109.5° |
| PA | O2A | HOA2 | 109.5° | 114.0° |
| PA | O5' | C5' | 111.9° | 123.0° |
| O5' | C5' | C4' | 96.2° | 109.5° |
| O5' | C5' | H5' | 112.7° | 109.4° |
| O5' | C5' | H5'' | 112.7° | 109.5° |
| C4' | C5' | H5' | 112.7° | 109.5° |
| C4' | C5' | H5'' | 112.7° | 109.5° |
| C5' | C4' | O4' | 115.4° | 109.9° |
| C5' | C4' | C3' | 119.2° | 109.9° |
| C5' | C4' | H4' | 104.3° | 109.9° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| O4' | C4' | C3' | 104.8° | 107.3° |
| O4' | C4' | H4' | 106.0° | 109.8° |
| C4' | O4' | C1' | 111.7° | 107.0° |
| C3' | C4' | H4' | 106.0° | 110.0° |
| C4' | C3' | O3' | 112.7° | 110.5° |
| C4' | C3' | C2' | 109.6° | 104.2° |
| C4' | C3' | H3' | 106.8° | 110.5° |
| O4' | C1' | C2' | 103.3° | 103.6° |
| O4' | C1' | N9 | 107.1° | 110.6° |
| O4' | C1' | H1' | 114.5° | 110.6° |
| O3' | C3' | C2' | 114.6° | 110.5° |
| O3' | C3' | H3' | 107.2° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 105.4° | 110.6° |
| C3' | C2' | O2' | 112.8° | 110.9° |
| C3' | C2' | C1' | 90.9° | 102.0° |
| C3' | C2' | H2' | 114.0° | 110.9° |
| O2' | C2' | C1' | 104.8° | 110.9° |
| O2' | C2' | H2' | 118.8° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 111.6° | 110.9° |
| C2' | C1' | N9 | 107.8° | 110.6° |
| C2' | C1' | H1' | 110.2° | 110.6° |
| N9 | C1' | H1' | 113.2° | 110.7° |
| C1' | N9 | C8 | 123.6° | 126.3° |
| C1' | N9 | C4 | 122.3° | 126.2° |
| C8 | N9 | C4 | 114.0° | 107.5° |
| N9 | C8 | N7 | 97.8° | 109.8° |
| N9 | C8 | H8 | 131.1° | 125.1° |
| N9 | C4 | C5 | 108.0° | 106.1° |
| N9 | C4 | N3 | 125.1° | 134.2° |
| N7 | C8 | H8 | 131.1° | 125.1° |
| C8 | N7 | C5 | 115.9° | 109.3° |
| N7 | C5 | C6 | 128.2° | 134.1° |
| N7 | C5 | C4 | 103.8° | 107.2° |
| C6 | C5 | C4 | 127.9° | 118.6° |
| C5 | C6 | O6 | 140.0° | 120.9° |
| C5 | C6 | N1 | 110.1° | 118.4° |
| C5 | C4 | N3 | 126.7° | 119.7° |
| O6 | C6 | N1 | 109.6° | 120.8° |
| C6 | N1 | C2 | 114.9° | 120.3° |
| C6 | N1 | HN1 | 122.6° | 119.9° |
| C2 | N1 | HN1 | 122.5° | 119.8° |
| N1 | C2 | N2 | 113.9° | 119.1° |
| N1 | C2 | N3 | 134.5° | 121.9° |
| N2 | C2 | N3 | 110.9° | 119.0° |
| C2 | N2 | HN21 | 120.0° | 119.9° |
| C2 | N2 | HN22 | 120.0° | 120.0° |
| C2 | N3 | C4 | 105.4° | 121.1° |
| HN21 | N2 | HN22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 131.3° | 120.0° |
| O1G | PG | O2G | O3B | 112.1° | 119.9° |
| O1G | PG | O3G | O3B | 109.4° | 119.9° |
| O1G | PG | O2G | HOG2 | 0.0° | 60.1° |
| O1G | PG | O3G | HOG3 | 0.0° | 180.0° |
| O1G | PG | O3B | PB | 166.2° | 40.0° |
| O2G | PG | O3G | O3B | 117.0° | 120.1° |
| O2G | PG | O3G | HOG3 | 133.6° | 60.0° |
| O2G | PG | O3B | PB | 45.2° | 160.0° |
| O3G | PG | O2G | HOG2 | 131.3° | 59.9° |
| O3G | PG | O3B | PB | 78.6° | 79.9° |
| O3B | PG | O2G | HOG2 | 112.1° | 180.0° |
| O3B | PG | O3G | HOG3 | 109.4° | 60.1° |
| PG | O3B | PB | O1B | 89.3° | 40.0° |
| PG | O3B | PB | O2B | 39.6° | 80.0° |
| PG | O3B | PB | O3A | 155.1° | 159.9° |
| O3B | PB | O1B | O2B | 124.5° | 120.0° |
| O3B | PB | O1B | O3A | 109.5° | 120.0° |
| O3B | PB | O2B | O3A | 110.0° | 120.0° |
| O3B | PB | O2B | HOB2 | 123.6° | 60.0° |
| O3B | PB | O3A | PA | 112.3° | 165.0° |
| O1B | PB | O2B | O3A | 126.3° | 120.0° |
| O1B | PB | O2B | HOB2 | 0.0° | 180.0° |
| O1B | PB | O3A | PA | 133.6° | 45.0° |
| O2B | PB | O3A | PA | 3.3° | 75.0° |
| O3A | PB | O2B | HOB2 | 126.4° | 60.0° |
| PB | O3A | PA | O1A | 57.4° | 40.0° |
| PB | O3A | PA | O2A | 74.1° | 80.0° |
| PB | O3A | PA | O5' | 169.2° | 160.0° |
| O3A | PA | O1A | O2A | 124.8° | 119.9° |
| O3A | PA | O1A | O5' | 108.9° | 120.1° |
| O3A | PA | O2A | O5' | 109.2° | 120.0° |
| O3A | PA | O2A | HOA2 | 127.6° | 60.0° |
| O3A | PA | O5' | C5' | 59.0° | 175.0° |
| O1A | PA | O2A | O5' | 123.3° | 120.0° |
| O1A | PA | O2A | HOA2 | 0.0° | 180.0° |
| O1A | PA | O5' | C5' | 175.7° | 55.0° |
| O2A | PA | O5' | C5' | 53.7° | 65.0° |
| O5' | PA | O2A | HOA2 | 123.2° | 60.0° |
| PA | O5' | C5' | C4' | 156.1° | 180.0° |
| PA | O5' | C5' | H5' | 38.3° | 60.0° |
| PA | O5' | C5' | H5'' | 86.2° | 60.0° |
| O5' | C5' | C4' | H5' | 117.8° | 120.0° |
| O5' | C5' | C4' | H5'' | 117.8° | 120.0° |
| O5' | C5' | H5' | H5'' | 126.3° | 120.0° |
| O5' | C5' | C4' | O4' | 63.3° | 66.4° |
| O5' | C5' | C4' | C3' | 62.9° | 175.7° |
| O5' | C5' | C4' | H4' | 179.2° | 54.5° |
| C4' | C5' | H5' | H5'' | 126.2° | 120.0° |
| C5' | C4' | O4' | C3' | 133.2° | 119.4° |
| C5' | C4' | O4' | H4' | 114.9° | 121.0° |
| C5' | C4' | C3' | H4' | 117.0° | 121.1° |
| C5' | C4' | O4' | C1' | 128.2° | 145.9° |
| C5' | C4' | C3' | O3' | 134.2° | 119.8° |
| C5' | C4' | C3' | C2' | 96.9° | 121.5° |
| C5' | C4' | C3' | H3' | 16.8° | 2.6° |
| H5' | C5' | C4' | O4' | 179.0° | 53.6° |
| H5' | C5' | C4' | C3' | 54.9° | 64.3° |
| H5' | C5' | C4' | H4' | 63.1° | 174.5° |
| H5'' | C5' | C4' | O4' | 54.5° | 173.5° |
| H5'' | C5' | C4' | C3' | 179.3° | 55.7° |
| H5'' | C5' | C4' | H4' | 61.4° | 65.5° |
| O4' | C4' | C3' | H4' | 111.9° | 119.4° |
| O4' | C4' | C3' | O3' | 94.7° | 120.7° |
| O4' | C4' | C3' | C2' | 34.1° | 2.0° |
| O4' | C4' | C3' | H3' | 147.9° | 116.8° |
| C4' | O4' | C1' | C2' | 22.0° | 40.0° |
| C4' | O4' | C1' | N9 | 135.8° | 158.5° |
| C4' | O4' | C1' | H1' | 97.9° | 78.5° |
| C3' | C4' | O4' | C1' | 5.0° | 26.5° |
| C4' | C3' | O3' | C2' | 126.2° | 114.8° |
| C4' | C3' | O3' | H3' | 117.2° | 122.5° |
| C4' | C3' | C2' | H3' | 114.6° | 118.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 149.0° | 139.1° |
| C4' | C3' | C2' | C1' | 42.5° | 20.8° |
| C4' | C3' | C2' | H2' | 71.7° | 97.3° |
| H4' | C4' | O4' | C1' | 116.9° | 93.1° |
| H4' | C4' | C3' | O3' | 17.2° | 1.3° |
| H4' | C4' | C3' | C2' | 146.1° | 117.4° |
| H4' | C4' | C3' | H3' | 100.2° | 123.7° |
| O4' | C1' | C2' | C3' | 36.9° | 37.0° |
| O4' | C1' | C2' | O2' | 150.7° | 155.2° |
| O4' | C1' | C2' | N9 | 113.2° | 118.5° |
| O4' | C1' | C2' | H1' | 122.8° | 118.5° |
| O4' | C1' | C2' | H2' | 79.5° | 81.2° |
| O4' | C1' | N9 | H1' | 127.2° | 123.0° |
| O4' | C1' | N9 | C8 | 61.3° | 23.6° |
| O4' | C1' | N9 | C4 | 123.5° | 156.7° |
| O3' | C3' | C2' | H3' | 117.6° | 122.6° |
| O3' | C3' | C2' | O2' | 21.2° | 20.4° |
| O3' | C3' | C2' | C1' | 85.3° | 97.8° |
| O3' | C3' | C2' | H2' | 160.5° | 144.0° |
| C2' | C3' | O3' | HO3' | 53.8° | 65.2° |
| C3' | C2' | O2' | C1' | 97.4° | 112.7° |
| C3' | C2' | O2' | H2' | 137.1° | 123.7° |
| C3' | C2' | C1' | H2' | 116.3° | 118.1° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | N9 | 150.1° | 155.5° |
| C3' | C2' | C1' | H1' | 85.9° | 81.5° |
| H3' | C3' | O3' | HO3' | 62.8° | 57.5° |
| H3' | C3' | C2' | O2' | 96.4° | 102.2° |
| H3' | C3' | C2' | C1' | 157.1° | 139.6° |
| H3' | C3' | C2' | H2' | 42.9° | 21.5° |
| O2' | C2' | C1' | H2' | 129.8° | 123.6° |
| O2' | C2' | C1' | N9 | 96.0° | 86.3° |
| O2' | C2' | C1' | H1' | 27.9° | 36.7° |
| C1' | C2' | O2' | HO2' | 82.6° | 174.1° |
| C2' | C1' | N9 | H1' | 122.2° | 122.9° |
| C2' | C1' | N9 | C8 | 49.3° | 90.5° |
| C2' | C1' | N9 | C4 | 125.8° | 89.2° |
| H2' | C2' | O2' | HO2' | 42.8° | 62.2° |
| H2' | C2' | C1' | N9 | 33.7° | 37.3° |
| H2' | C2' | C1' | H1' | 157.7° | 160.3° |
| C1' | N9 | C8 | C4 | 175.5° | 179.7° |
| C1' | N9 | C8 | N7 | 179.6° | 180.0° |
| C1' | N9 | C8 | H8 | 0.4° | 0.0° |
| C1' | N9 | C4 | C5 | 177.2° | 179.9° |
| C1' | N9 | C4 | N3 | 7.0° | 0.7° |
| H1' | C1' | N9 | C8 | 171.5° | 146.5° |
| H1' | C1' | N9 | C4 | 3.6° | 33.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 6.7° | 0.0° |
| C8 | N9 | C4 | C5 | 1.6° | 0.4° |
| C8 | N9 | C4 | N3 | 177.5° | 179.5° |
| C4 | N9 | C8 | N7 | 4.9° | 0.2° |
| C4 | N9 | C8 | H8 | 175.1° | 179.7° |
| N9 | C4 | C5 | N7 | 2.5° | 0.4° |
| N9 | C4 | C5 | C6 | 177.6° | 179.9° |
| N9 | C4 | C5 | N3 | 175.8° | 179.3° |
| N9 | C4 | N3 | C2 | 179.4° | 179.6° |
| C8 | N7 | C5 | C6 | 178.7° | 179.9° |
| C8 | N7 | C5 | C4 | 6.2° | 0.3° |
| H8 | C8 | N7 | C5 | 173.4° | 180.0° |
| N7 | C5 | C6 | C4 | 173.9° | 179.6° |
| N7 | C5 | C6 | O6 | 1.0° | 0.1° |
| N7 | C5 | C6 | N1 | 174.5° | 179.9° |
| N7 | C5 | C4 | N3 | 173.3° | 179.7° |
| C5 | C6 | O6 | N1 | 173.5° | 180.0° |
| C5 | C6 | N1 | C2 | 1.7° | 0.0° |
| C5 | C6 | N1 | HN1 | 178.4° | 180.0° |
| C6 | C5 | C4 | N3 | 1.8° | 0.6° |
| C4 | C5 | C6 | O6 | 172.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.6° | 0.3° |
| C5 | C4 | N3 | C2 | 5.5° | 0.6° |
| O6 | C6 | N1 | C2 | 177.2° | 180.0° |
| O6 | C6 | N1 | HN1 | 2.8° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 176.8° | 179.9° |
| C6 | N1 | C2 | N3 | 7.6° | 0.0° |
| N1 | C2 | N2 | N3 | 171.8° | 179.9° |
| N1 | C2 | N2 | HN21 | 171.8° | 0.0° |
| N1 | C2 | N2 | HN22 | 8.3° | 180.0° |
| N1 | C2 | N3 | C4 | 9.0° | 0.3° |
| HN1 | N1 | C2 | N2 | 3.2° | 0.1° |
| HN1 | N1 | C2 | N3 | 172.4° | 180.0° |
| C2 | N2 | HN21 | HN22 | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 178.5° | 179.7° |
| N3 | C2 | N2 | HN21 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN22 | 180.0° | 0.0° |
