GPK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1A | C2A | doub | 1.35Å | 1.39Å | |
C1A | N1' | sing | 1.37Å | 1.42Å | |
F1 | C2A | sing | 1.35Å | 1.34Å | |
C2A | C3A | sing | 1.42Å | 1.40Å | |
C3A | O3A | doub | 1.22Å | 1.24Å | |
C3A | N4 | sing | 1.35Å | 1.36Å | |
N4 | C5A | sing | 1.35Å | 1.35Å | |
C5A | O5A | doub | 1.22Å | 1.26Å | |
C5A | N1' | sing | 1.35Å | 1.41Å | |
C1 | N1' | sing | 1.46Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C1A | H1A | sing | 1.08Å | 1.08Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2A | C1A | N1' | 118.8° | 119.6° |
C1A | C2A | F1 | 119.5° | 120.4° |
C1A | C2A | C3A | 119.5° | 119.2° |
C2A | C1A | H1A | 120.6° | 120.2° |
C1A | N1' | C5A | 119.1° | 120.6° |
C1A | N1' | C1 | 120.2° | 119.7° |
N1' | C1A | H1A | 120.6° | 120.2° |
F1 | C2A | C3A | 121.0° | 120.4° |
C2A | C3A | O3A | 119.2° | 120.3° |
C2A | C3A | N4 | 120.8° | 119.4° |
O3A | C3A | N4 | 120.0° | 120.3° |
C3A | N4 | C5A | 121.3° | 120.3° |
C3A | N4 | HN4 | 119.3° | 119.8° |
N4 | C5A | O5A | 121.5° | 119.5° |
N4 | C5A | N1' | 119.8° | 120.9° |
C5A | N4 | HN4 | 119.4° | 119.8° |
O5A | C5A | N1' | 118.4° | 119.5° |
C5A | N1' | C1 | 119.4° | 119.7° |
N1' | C1 | C2 | 114.5° | 109.5° |
N1' | C1 | O5 | 109.6° | 109.5° |
N1' | C1 | H1 | 105.9° | 109.5° |
C2 | C1 | O5 | 109.5° | 109.4° |
C1 | C2 | O2 | 109.9° | 109.6° |
C1 | C2 | C3 | 107.8° | 109.1° |
C2 | C1 | H1 | 106.0° | 109.4° |
C1 | C2 | H2 | 111.0° | 109.5° |
C1 | O5 | C5 | 111.6° | 114.1° |
O5 | C1 | H1 | 111.3° | 109.5° |
O2 | C2 | C3 | 111.5° | 109.5° |
O2 | C2 | H2 | 107.3° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 110.7° | 109.5° |
C2 | C3 | C4 | 111.7° | 109.1° |
C3 | C2 | H2 | 109.4° | 109.6° |
C2 | C3 | H3 | 107.1° | 109.6° |
O3 | C3 | C4 | 109.6° | 109.5° |
O3 | C3 | H3 | 109.4° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 107.6° | 109.5° |
C3 | C4 | C5 | 112.2° | 109.1° |
C4 | C3 | H3 | 108.3° | 109.6° |
C3 | C4 | H4 | 109.8° | 109.5° |
O4 | C4 | C5 | 111.9° | 109.6° |
O4 | C4 | H4 | 110.1° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 109.4° | 109.5° |
C4 | C5 | C6 | 115.0° | 109.5° |
C5 | C4 | H4 | 105.2° | 109.5° |
C4 | C5 | H5 | 104.4° | 109.4° |
O5 | C5 | C6 | 105.1° | 109.5° |
O5 | C5 | H5 | 114.5° | 109.5° |
C5 | C6 | O6 | 111.0° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.5° |
C5 | C6 | H61 | 109.0° | 109.5° |
C5 | C6 | H62 | 109.0° | 109.4° |
O6 | C6 | H61 | 109.0° | 109.4° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 110.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2A | C1A | N1' | H1A | 180.0° | 179.8° |
C1A | C2A | F1 | C3A | 179.3° | 179.9° |
C1A | C2A | C3A | O3A | 178.6° | 179.9° |
C1A | C2A | C3A | N4 | 0.3° | 0.0° |
C2A | C1A | N1' | C5A | 8.8° | 0.1° |
C2A | C1A | N1' | C1 | 175.9° | 180.0° |
N1' | C1A | C2A | F1 | 175.9° | 180.0° |
N1' | C1A | C2A | C3A | 4.8° | 0.1° |
C1A | N1' | C5A | N4 | 8.4° | 0.0° |
C1A | N1' | C5A | O5A | 177.8° | 180.0° |
C1A | N1' | C5A | C1 | 167.2° | 179.9° |
C1A | N1' | C1 | C2 | 39.2° | 115.0° |
C1A | N1' | C1 | O5 | 84.3° | 125.0° |
C1A | N1' | C1 | H1 | 155.6° | 5.0° |
F1 | C2A | C3A | O3A | 0.7° | 0.0° |
F1 | C2A | C3A | N4 | 179.6° | 179.9° |
F1 | C2A | C1A | H1A | 4.1° | 0.2° |
C2A | C3A | O3A | N4 | 178.9° | 179.9° |
C2A | C3A | N4 | C5A | 0.2° | 0.1° |
C3A | C2A | C1A | H1A | 175.2° | 179.8° |
C2A | C3A | N4 | HN4 | 179.8° | 180.0° |
O3A | C3A | N4 | C5A | 179.1° | 180.0° |
O3A | C3A | N4 | HN4 | 0.9° | 0.1° |
C3A | N4 | C5A | HN4 | 180.0° | 179.9° |
C3A | N4 | C5A | O5A | 177.5° | 179.9° |
C3A | N4 | C5A | N1' | 3.9° | 0.1° |
N4 | C5A | O5A | N1' | 173.7° | 180.0° |
N4 | C5A | N1' | C1 | 175.6° | 179.9° |
O5A | C5A | N1' | C1 | 10.6° | 0.1° |
O5A | C5A | N4 | HN4 | 2.5° | 0.0° |
C5A | N1' | C1 | C2 | 127.8° | 65.1° |
C5A | N1' | C1 | O5 | 108.6° | 54.9° |
C5A | N1' | C1A | H1A | 171.2° | 179.8° |
N1' | C5A | N4 | HN4 | 176.1° | 180.0° |
C5A | N1' | C1 | H1 | 11.5° | 175.0° |
N1' | C1 | C2 | O5 | 123.6° | 120.0° |
N1' | C1 | C2 | H1 | 116.3° | 120.0° |
N1' | C1 | O5 | H1 | 116.8° | 120.1° |
N1' | C1 | C2 | O2 | 54.6° | 62.5° |
N1' | C1 | C2 | C3 | 176.3° | 177.6° |
N1' | C1 | O5 | C5 | 165.6° | 178.9° |
C1 | N1' | C1A | H1A | 4.1° | 0.2° |
N1' | C1 | C2 | H2 | 63.9° | 57.6° |
C2 | C1 | O5 | H1 | 116.8° | 120.0° |
C1 | C2 | O2 | C3 | 119.5° | 119.7° |
C1 | C2 | O2 | H2 | 120.8° | 120.1° |
C1 | C2 | C3 | H2 | 120.8° | 119.9° |
C1 | C2 | C3 | O3 | 174.0° | 176.8° |
C1 | C2 | C3 | C4 | 51.6° | 57.0° |
C2 | C1 | O5 | C5 | 67.9° | 61.1° |
C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 66.8° | 63.0° |
O5 | C1 | C2 | O2 | 178.2° | 177.5° |
O5 | C1 | C2 | C3 | 60.1° | 57.6° |
C1 | O5 | C5 | C4 | 62.2° | 61.2° |
C1 | O5 | C5 | C6 | 173.8° | 178.8° |
O5 | C1 | C2 | H2 | 59.6° | 62.3° |
C1 | O5 | C5 | H5 | 54.5° | 58.8° |
O2 | C2 | C3 | H2 | 118.5° | 120.2° |
O2 | C2 | C3 | O3 | 65.3° | 63.2° |
O2 | C2 | C3 | C4 | 172.3° | 176.9° |
O2 | C2 | C1 | H1 | 61.8° | 57.5° |
O2 | C2 | C3 | H3 | 53.9° | 56.9° |
C2 | C3 | O3 | C4 | 123.6° | 119.6° |
C2 | C3 | O3 | H3 | 117.8° | 120.2° |
C2 | C3 | C4 | H3 | 117.8° | 120.0° |
C2 | C3 | C4 | O4 | 172.3° | 176.9° |
C2 | C3 | C4 | C5 | 48.8° | 57.0° |
C3 | C2 | C1 | H1 | 60.0° | 62.4° |
C3 | C2 | O2 | HO2 | 60.5° | 60.3° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 67.9° | 62.9° |
O3 | C3 | C4 | H3 | 119.3° | 120.2° |
O3 | C3 | C4 | O4 | 64.7° | 63.2° |
O3 | C3 | C4 | C5 | 171.7° | 176.8° |
O3 | C3 | C2 | H2 | 53.2° | 57.0° |
O3 | C3 | C4 | H4 | 55.1° | 56.9° |
C3 | C4 | O4 | C5 | 123.7° | 119.7° |
C3 | C4 | O4 | H4 | 119.6° | 120.1° |
C3 | C4 | C5 | H4 | 119.3° | 119.9° |
C3 | C4 | C5 | O5 | 52.4° | 57.6° |
C3 | C4 | C5 | C6 | 170.3° | 177.6° |
C4 | C3 | C2 | H2 | 69.2° | 62.9° |
C4 | C3 | O3 | HO3 | 56.4° | 60.4° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | H5 | 70.6° | 62.4° |
O4 | C4 | C5 | H4 | 119.6° | 120.2° |
O4 | C4 | C5 | O5 | 173.4° | 177.5° |
O4 | C4 | C5 | C6 | 68.6° | 62.5° |
O4 | C4 | C3 | H3 | 54.5° | 56.9° |
O4 | C4 | C5 | H5 | 50.5° | 57.5° |
C4 | C5 | O5 | C6 | 124.0° | 120.0° |
C4 | C5 | O5 | H5 | 116.7° | 120.0° |
C4 | C5 | C6 | H5 | 116.6° | 120.0° |
C4 | C5 | C6 | O6 | 45.1° | 175.0° |
C5 | C4 | C3 | H3 | 69.0° | 63.0° |
C5 | C4 | O4 | HO4 | 56.2° | 179.7° |
C4 | C5 | C6 | H61 | 165.2° | 55.0° |
C4 | C5 | C6 | H62 | 74.9° | 65.0° |
O5 | C5 | C6 | H5 | 123.0° | 120.0° |
O5 | C5 | C6 | O6 | 75.2° | 65.0° |
C5 | O5 | C1 | H1 | 48.9° | 58.8° |
O5 | C5 | C4 | H4 | 66.9° | 62.3° |
O5 | C5 | C6 | H61 | 44.8° | 175.0° |
O5 | C5 | C6 | H62 | 164.8° | 55.0° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 51.0° | 57.7° |
C5 | C6 | H61 | H62 | 119.4° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
O6 | C6 | C5 | H5 | 161.7° | 55.0° |
O6 | C6 | H61 | H62 | 119.3° | 120.0° |
H1 | C1 | C2 | H2 | 179.7° | 177.7° |
H2 | C2 | O2 | HO2 | 59.2° | 59.9° |
H2 | C2 | C3 | H3 | 172.3° | 177.1° |
H3 | C3 | O3 | HO3 | 62.2° | 59.8° |
H3 | C3 | C4 | H4 | 174.3° | 177.1° |
H4 | C4 | O4 | HO4 | 60.5° | 60.1° |
H4 | C4 | C5 | H5 | 170.1° | 177.7° |
H5 | C5 | C6 | H61 | 78.2° | 65.0° |
H5 | C5 | C6 | H62 | 41.7° | 175.0° |
H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
H62 | C6 | O6 | HO6 | 60.0° | 60.0° |