GP2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.23Å | |
C6 | C5 | sing | 1.41Å | 1.39Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | |
C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.37Å | |
C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
N3 | C2 | doub | 1.31Å | 1.38Å | |
C2 | N1 | sing | 1.36Å | 1.39Å | |
C2 | N2 | sing | 1.37Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.47Å | |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.41Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H1 | sing | 1.09Å | 1.12Å | |
O2' | H2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C4' | sing | 1.54Å | 1.54Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | H2 | sing | 0.97Å | 0.95Å | |
O4' | C4' | sing | 1.44Å | 1.42Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
O5' | PA | sing | 1.61Å | 1.63Å | |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.54Å | |
PA | C3A | sing | 1.82Å | 1.73Å | |
O2A | H2A | sing | 0.97Å | 0.95Å | |
C3A | PB | sing | 1.82Å | 1.72Å | |
C3A | H3A1 | sing | 1.09Å | 1.11Å | |
C3A | H3A2 | sing | 1.09Å | 1.11Å | |
PB | O1B | doub | 1.48Å | 1.49Å | |
PB | O3B | sing | 1.61Å | 1.54Å | |
PB | O2B | sing | 1.61Å | 1.54Å | |
O3B | H3B | sing | 0.97Å | 0.95Å | |
O2B | H2B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 120.2° | 120.8° |
O6 | C6 | N1 | 119.9° | 120.8° |
C5 | C6 | N1 | 119.8° | 118.3° |
C6 | C5 | N7 | 133.5° | 134.2° |
C6 | C5 | C4 | 118.5° | 118.6° |
C6 | N1 | C2 | 120.9° | 120.3° |
C6 | N1 | HN1 | 119.5° | 119.8° |
N7 | C5 | C4 | 108.0° | 107.3° |
C5 | N7 | C8 | 108.7° | 109.4° |
C5 | C4 | N3 | 121.6° | 119.7° |
C5 | C4 | N9 | 107.2° | 106.1° |
N7 | C8 | N9 | 108.1° | 109.8° |
N7 | C8 | H8 | 125.5° | 125.1° |
N3 | C4 | N9 | 131.2° | 134.2° |
C4 | N3 | C2 | 119.9° | 121.2° |
C4 | N9 | C8 | 108.0° | 107.5° |
C4 | N9 | C1' | 121.5° | 126.3° |
N3 | C2 | N1 | 119.3° | 121.9° |
N3 | C2 | N2 | 120.0° | 119.1° |
N1 | C2 | N2 | 120.2° | 119.0° |
C2 | N1 | HN1 | 119.6° | 119.8° |
C2 | N2 | HN21 | 120.0° | 120.0° |
C2 | N2 | HN22 | 108.4° | 120.0° |
HN21 | N2 | HN22 | 108.5° | 120.0° |
C8 | N9 | C1' | 130.5° | 126.2° |
N9 | C8 | H8 | 126.5° | 125.1° |
N9 | C1' | C2' | 115.1° | 110.4° |
N9 | C1' | O4' | 113.3° | 110.4° |
N9 | C1' | H1' | 101.7° | 110.3° |
C2' | C1' | O4' | 106.3° | 104.9° |
C2' | C1' | H1' | 109.3° | 110.4° |
C1' | C2' | O2' | 113.6° | 110.7° |
C1' | C2' | C3' | 100.6° | 104.0° |
C1' | C2' | H1 | 114.9° | 110.4° |
O4' | C1' | H1' | 111.3° | 110.4° |
C1' | O4' | C4' | 106.2° | 105.2° |
O2' | C2' | C3' | 115.3° | 110.5° |
O2' | C2' | H1 | 100.0° | 110.5° |
C2' | O2' | H2' | 113.6° | 106.8° |
C3' | C2' | H1 | 113.2° | 110.5° |
C2' | C3' | O3' | 109.9° | 110.5° |
C2' | C3' | C4' | 104.2° | 104.1° |
C2' | C3' | H3' | 112.4° | 110.6° |
O3' | C3' | C4' | 109.1° | 110.5° |
O3' | C3' | H3' | 107.9° | 110.4° |
C3' | O3' | H2 | 109.9° | 106.8° |
C4' | C3' | H3' | 113.3° | 110.5° |
C3' | C4' | O4' | 108.0° | 104.8° |
C3' | C4' | C5' | 114.3° | 110.5° |
C3' | C4' | H4' | 107.0° | 110.4° |
O4' | C4' | C5' | 108.7° | 110.4° |
O4' | C4' | H4' | 112.8° | 110.4° |
C5' | C4' | H4' | 106.2° | 110.3° |
C4' | C5' | O5' | 114.8° | 109.5° |
C4' | C5' | H5'1 | 110.3° | 109.5° |
C4' | C5' | H5'2 | 110.3° | 109.4° |
O5' | C5' | H5'1 | 110.3° | 109.5° |
O5' | C5' | H5'2 | 110.2° | 109.4° |
C5' | O5' | PA | 116.1° | 106.8° |
H5'1 | C5' | H5'2 | 100.0° | 109.5° |
O5' | PA | O1A | 110.4° | 109.5° |
O5' | PA | O2A | 114.7° | 109.4° |
O5' | PA | C3A | 102.7° | 109.5° |
O1A | PA | O2A | 109.6° | 109.5° |
O1A | PA | C3A | 112.6° | 109.5° |
O2A | PA | C3A | 106.8° | 109.5° |
PA | O2A | H2A | 114.6° | 106.8° |
PA | C3A | PB | 113.6° | 109.5° |
PA | C3A | H3A1 | 110.7° | 109.4° |
PA | C3A | H3A2 | 110.7° | 109.4° |
PB | C3A | H3A1 | 110.7° | 109.5° |
PB | C3A | H3A2 | 110.7° | 109.5° |
C3A | PB | O1B | 113.1° | 109.4° |
C3A | PB | O3B | 104.8° | 109.5° |
C3A | PB | O2B | 107.4° | 109.5° |
H3A1 | C3A | H3A2 | 99.6° | 109.5° |
O1B | PB | O3B | 109.2° | 109.4° |
O1B | PB | O2B | 109.5° | 109.5° |
O3B | PB | O2B | 112.8° | 109.5° |
PB | O3B | H3B | 104.8° | 106.8° |
PB | O2B | H2B | 107.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | N1 | 176.8° | 179.7° |
O6 | C6 | C5 | N7 | 3.0° | 0.0° |
O6 | C6 | C5 | C4 | 175.3° | 179.9° |
O6 | C6 | N1 | C2 | 175.7° | 179.8° |
O6 | C6 | N1 | HN1 | 4.3° | 0.2° |
C6 | C5 | N7 | C4 | 178.4° | 180.0° |
C6 | C5 | N7 | C8 | 179.2° | 180.0° |
C6 | C5 | C4 | N3 | 1.5° | 0.1° |
C6 | C5 | C4 | N9 | 179.2° | 180.0° |
C5 | C6 | N1 | C2 | 1.1° | 0.5° |
C5 | C6 | N1 | HN1 | 178.9° | 179.9° |
N1 | C6 | C5 | N7 | 179.8° | 179.7° |
N1 | C6 | C5 | C4 | 1.5° | 0.2° |
C6 | N1 | C2 | N3 | 0.6° | 0.5° |
C6 | N1 | C2 | HN1 | 180.0° | 179.5° |
C6 | N1 | C2 | N2 | 172.4° | 179.7° |
N7 | C5 | C4 | N3 | 179.8° | 179.9° |
N7 | C5 | C4 | N9 | 0.5° | 0.1° |
C5 | N7 | C8 | N9 | 0.7° | 0.0° |
C5 | N7 | C8 | H8 | 179.3° | 180.0° |
C4 | C5 | N7 | C8 | 0.7° | 0.0° |
C5 | C4 | N3 | N9 | 179.1° | 179.8° |
C5 | C4 | N3 | C2 | 1.0° | 0.1° |
C5 | C4 | N9 | C8 | 0.1° | 0.1° |
C5 | C4 | N9 | C1' | 178.4° | 180.0° |
N7 | C8 | N9 | C4 | 0.4° | 0.1° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 178.6° | 180.0° |
C4 | N3 | C2 | N1 | 0.6° | 0.2° |
C4 | N3 | C2 | N2 | 172.4° | 180.0° |
N3 | C4 | N9 | C8 | 179.3° | 179.9° |
N3 | C4 | N9 | C1' | 0.8° | 0.1° |
N9 | C4 | N3 | C2 | 179.9° | 179.9° |
C4 | N9 | C8 | C1' | 178.2° | 179.9° |
C4 | N9 | C8 | H8 | 179.6° | 179.9° |
C4 | N9 | C1' | C2' | 145.6° | 91.5° |
C4 | N9 | C1' | O4' | 91.8° | 153.0° |
C4 | N9 | C1' | H1' | 27.7° | 30.8° |
N3 | C2 | N1 | N2 | 171.8° | 179.8° |
N3 | C2 | N1 | HN1 | 179.4° | 180.0° |
N3 | C2 | N2 | HN21 | 180.0° | 0.1° |
N3 | C2 | N2 | HN22 | 54.7° | 179.7° |
N1 | C2 | N2 | HN21 | 8.2° | 179.8° |
N1 | C2 | N2 | HN22 | 133.5° | 0.5° |
N2 | C2 | N1 | HN1 | 7.5° | 0.2° |
C2 | N2 | HN21 | HN22 | 125.2° | 179.8° |
C8 | N9 | C1' | C2' | 32.4° | 88.5° |
C8 | N9 | C1' | O4' | 90.2° | 27.0° |
C8 | N9 | C1' | H1' | 150.4° | 149.2° |
C1' | N9 | C8 | H8 | 1.4° | 0.0° |
N9 | C1' | C2' | O4' | 126.3° | 118.9° |
N9 | C1' | C2' | H1' | 113.6° | 122.2° |
N9 | C1' | O4' | H1' | 113.8° | 122.2° |
N9 | C1' | C2' | O2' | 72.7° | 98.5° |
N9 | C1' | C2' | C3' | 163.5° | 142.8° |
N9 | C1' | C2' | H1 | 41.6° | 24.2° |
N9 | C1' | O4' | C4' | 165.3° | 159.4° |
C2' | C1' | O4' | H1' | 118.9° | 118.9° |
C1' | C2' | O2' | C3' | 115.4° | 114.7° |
C1' | C2' | O2' | H1 | 122.9° | 122.6° |
C1' | C2' | C3' | H1 | 123.1° | 118.5° |
C1' | C2' | O2' | H2' | 180.0° | 176.2° |
C1' | C2' | C3' | O3' | 94.5° | 118.8° |
C1' | C2' | C3' | C4' | 22.2° | 0.1° |
C1' | C2' | C3' | H3' | 145.3° | 118.6° |
C2' | C1' | O4' | C4' | 38.0° | 40.5° |
O4' | C1' | C2' | O2' | 161.1° | 142.6° |
O4' | C1' | C2' | C3' | 37.2° | 23.9° |
O4' | C1' | C2' | H1 | 84.7° | 94.7° |
C1' | O4' | C4' | C3' | 22.5° | 40.5° |
C1' | O4' | C4' | C5' | 146.9° | 159.5° |
C1' | O4' | C4' | H4' | 95.5° | 78.3° |
H1' | C1' | C2' | O2' | 40.9° | 23.7° |
H1' | C1' | C2' | C3' | 82.9° | 95.0° |
H1' | C1' | C2' | H1 | 155.2° | 146.4° |
H1' | C1' | O4' | C4' | 80.9° | 78.5° |
O2' | C2' | C3' | H1 | 114.3° | 122.6° |
O2' | C2' | C3' | O3' | 28.1° | 0.1° |
O2' | C2' | C3' | C4' | 144.9° | 118.8° |
O2' | C2' | C3' | H3' | 92.1° | 122.5° |
C3' | C2' | O2' | H2' | 64.7° | 61.5° |
C2' | C3' | O3' | C4' | 113.7° | 114.7° |
C2' | C3' | O3' | H3' | 122.9° | 122.7° |
C2' | C3' | C4' | H3' | 122.5° | 118.8° |
C2' | C3' | O3' | H2 | 179.9° | 65.3° |
C2' | C3' | C4' | O4' | 1.4° | 24.1° |
C2' | C3' | C4' | C5' | 119.7° | 143.0° |
C2' | C3' | C4' | H4' | 123.0° | 94.7° |
H1 | C2' | O2' | H2' | 57.0° | 61.2° |
H1 | C2' | C3' | O3' | 142.4° | 122.7° |
H1 | C2' | C3' | C4' | 100.9° | 118.6° |
H1 | C2' | C3' | H3' | 22.2° | 0.1° |
O3' | C3' | C4' | H3' | 120.2° | 122.5° |
O3' | C3' | C4' | O4' | 115.9° | 142.8° |
O3' | C3' | C4' | C5' | 123.0° | 98.3° |
O3' | C3' | C4' | H4' | 5.7° | 24.0° |
C4' | C3' | O3' | H2 | 66.4° | 180.0° |
C3' | C4' | O4' | C5' | 124.5° | 119.0° |
C3' | C4' | O4' | H4' | 118.0° | 118.8° |
C3' | C4' | C5' | H4' | 117.7° | 122.3° |
C3' | C4' | C5' | O5' | 107.6° | 176.8° |
C3' | C4' | C5' | H5'1 | 127.2° | 63.1° |
C3' | C4' | C5' | H5'2 | 17.7° | 56.9° |
H3' | C3' | O3' | H2 | 57.0° | 57.4° |
H3' | C3' | C4' | O4' | 123.9° | 94.7° |
H3' | C3' | C4' | C5' | 2.8° | 24.2° |
H3' | C3' | C4' | H4' | 114.4° | 146.5° |
O4' | C4' | C5' | H4' | 121.6° | 122.2° |
O4' | C4' | C5' | O5' | 13.1° | 61.4° |
O4' | C4' | C5' | H5'1 | 112.2° | 178.6° |
O4' | C4' | C5' | H5'2 | 138.3° | 58.5° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
C4' | C5' | O5' | H5'2 | 125.2° | 119.9° |
C4' | C5' | H5'1 | H5'2 | 116.1° | 120.0° |
C4' | C5' | O5' | PA | 158.1° | 180.0° |
H4' | C4' | C5' | O5' | 134.7° | 60.8° |
H4' | C4' | C5' | H5'1 | 9.5° | 59.2° |
H4' | C4' | C5' | H5'2 | 100.1° | 179.2° |
O5' | C5' | H5'1 | H5'2 | 116.1° | 120.0° |
C5' | O5' | PA | O1A | 91.7° | 59.9° |
C5' | O5' | PA | O2A | 143.9° | 60.1° |
C5' | O5' | PA | C3A | 28.5° | 179.9° |
H5'1 | C5' | O5' | PA | 76.6° | 59.9° |
H5'2 | C5' | O5' | PA | 32.9° | 60.1° |
O5' | PA | O1A | O2A | 127.2° | 119.9° |
O5' | PA | O1A | C3A | 114.1° | 120.1° |
O5' | PA | O2A | C3A | 113.0° | 120.0° |
O5' | PA | O2A | H2A | 179.9° | 60.0° |
O5' | PA | C3A | PB | 135.0° | 180.0° |
O5' | PA | C3A | H3A1 | 99.7° | 60.0° |
O5' | PA | C3A | H3A2 | 9.8° | 59.9° |
O1A | PA | O2A | C3A | 122.2° | 120.0° |
O1A | PA | O2A | H2A | 55.2° | 180.0° |
O1A | PA | C3A | PB | 16.4° | 60.0° |
O1A | PA | C3A | H3A1 | 141.6° | 60.1° |
O1A | PA | C3A | H3A2 | 108.9° | 180.0° |
O2A | PA | C3A | PB | 103.9° | 60.0° |
O2A | PA | C3A | H3A1 | 21.3° | 180.0° |
O2A | PA | C3A | H3A2 | 130.8° | 60.0° |
C3A | PA | O2A | H2A | 67.0° | 60.0° |
PA | C3A | PB | H3A1 | 125.3° | 120.0° |
PA | C3A | PB | H3A2 | 125.2° | 120.0° |
PA | C3A | H3A1 | H3A2 | 116.6° | 119.9° |
PA | C3A | PB | O1B | 45.0° | 60.0° |
PA | C3A | PB | O3B | 163.8° | 180.0° |
PA | C3A | PB | O2B | 76.0° | 60.0° |
PB | C3A | H3A1 | H3A2 | 116.6° | 120.0° |
C3A | PB | O1B | O3B | 116.3° | 120.0° |
C3A | PB | O1B | O2B | 119.8° | 120.0° |
C3A | PB | O3B | O2B | 116.5° | 120.0° |
C3A | PB | O3B | H3B | 180.0° | 180.0° |
C3A | PB | O2B | H2B | 179.9° | 60.1° |
H3A1 | C3A | PB | O1B | 170.3° | 180.0° |
H3A1 | C3A | PB | O3B | 70.9° | 60.0° |
H3A1 | C3A | PB | O2B | 49.3° | 60.0° |
H3A2 | C3A | PB | O1B | 80.2° | 60.0° |
H3A2 | C3A | PB | O3B | 38.6° | 60.0° |
H3A2 | C3A | PB | O2B | 158.8° | 180.0° |
O1B | PB | O3B | O2B | 122.0° | 120.0° |
O1B | PB | O3B | H3B | 58.5° | 60.0° |
O1B | PB | O2B | H2B | 56.7° | 180.0° |
O3B | PB | O2B | H2B | 65.1° | 60.0° |
O2B | PB | O3B | H3B | 63.5° | 60.0° |