PGN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | O4P | doub | 1.50Å | 1.48Å | |
P1 | O5P | sing | 1.62Å | 1.48Å | |
P1 | O6P | sing | 1.62Å | 12.68Å | |
P1 | O3' | sing | 1.61Å | 1.61Å | |
O5P | HOP5 | sing | 0.98Å | 0.95Å | |
O6P | HOP6 | sing | 0.98Å | 0.95Å | |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 1.48Å | |
P | OP3 | sing | 1.62Å | 11.15Å | |
P | O5' | sing | 1.62Å | 1.62Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.42Å | |
C5' | C4' | sing | 1.52Å | 1.54Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.10Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.41Å | 1.42Å | |
C3' | C2' | sing | 1.51Å | 1.52Å | |
C3' | H3' | sing | 1.10Å | 1.10Å | |
C2' | C1' | sing | 1.52Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'' | sing | 1.10Å | 1.10Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.44Å | 1.43Å | |
C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.40Å | 1.39Å | |
N1 | C2 | sing | 1.41Å | 1.38Å | |
N1 | HN1 | sing | 1.02Å | 1.00Å | |
C2 | N2 | sing | 1.37Å | 1.33Å | |
C2 | N3 | doub | 1.32Å | 1.35Å | |
N2 | HN21 | sing | 0.99Å | 1.00Å | |
N2 | HN22 | sing | 0.99Å | 1.00Å | |
N3 | C4 | sing | 1.35Å | 1.36Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4P | P1 | O5P | 118.8° | 115.2° |
O4P | P1 | O6P | 113.8° | 115.0° |
O4P | P1 | O3' | 107.7° | 115.1° |
O5P | P1 | O6P | 126.8° | 103.3° |
O5P | P1 | O3' | 107.8° | 103.8° |
P1 | O5P | HOP5 | 109.5° | 118.9° |
O6P | P1 | O3' | 46.0° | 102.6° |
P1 | O6P | HOP6 | 113.8° | 118.9° |
P1 | O3' | C3' | 122.1° | 118.2° |
OP1 | P | OP2 | 119.3° | 115.3° |
OP1 | P | OP3 | 152.4° | 115.0° |
OP1 | P | O5' | 108.1° | 115.0° |
OP2 | P | OP3 | 88.3° | 103.3° |
OP2 | P | O5' | 109.3° | 103.7° |
P | OP2 | HOP2 | 109.5° | 118.9° |
OP3 | P | O5' | 57.3° | 102.9° |
P | OP3 | HOP3 | 152.4° | 118.9° |
P | O5' | C5' | 123.8° | 118.5° |
O5' | C5' | C4' | 111.8° | 108.7° |
O5' | C5' | H5' | 108.2° | 109.2° |
O5' | C5' | H5'' | 108.7° | 109.2° |
C4' | C5' | H5' | 108.2° | 110.1° |
C4' | C5' | H5'' | 108.7° | 110.1° |
C5' | C4' | O4' | 111.0° | 109.7° |
C5' | C4' | C3' | 113.4° | 113.6° |
C5' | C4' | H4' | 105.6° | 108.6° |
H5' | C5' | H5'' | 111.3° | 109.6° |
O4' | C4' | C3' | 109.5° | 105.5° |
O4' | C4' | H4' | 109.8° | 108.2° |
C4' | O4' | C1' | 106.5° | 108.1° |
C3' | C4' | H4' | 107.2° | 111.1° |
C4' | C3' | O3' | 109.7° | 112.4° |
C4' | C3' | C2' | 99.7° | 101.8° |
C4' | C3' | H3' | 115.7° | 111.5° |
O4' | C1' | C2' | 104.5° | 107.7° |
O4' | C1' | N9 | 112.2° | 109.4° |
O4' | C1' | H1' | 113.1° | 109.1° |
O3' | C3' | C2' | 110.0° | 111.3° |
O3' | C3' | H3' | 106.3° | 109.4° |
C2' | C3' | H3' | 115.4° | 110.2° |
C3' | C2' | C1' | 100.7° | 103.2° |
C3' | C2' | H2' | 114.3° | 112.8° |
C3' | C2' | H2'' | 112.5° | 109.9° |
C1' | C2' | H2' | 114.3° | 114.1° |
C1' | C2' | H2'' | 112.5° | 110.0° |
C2' | C1' | N9 | 115.0° | 113.8° |
C2' | C1' | H1' | 110.1° | 111.7° |
H2' | C2' | H2'' | 103.0° | 106.8° |
N9 | C1' | H1' | 102.2° | 105.1° |
C1' | N9 | C8 | 126.2° | 126.1° |
C1' | N9 | C4 | 128.0° | 127.3° |
C8 | N9 | C4 | 104.9° | 106.6° |
N9 | C8 | N7 | 115.5° | 112.5° |
N9 | C8 | H8 | 122.2° | 122.0° |
N9 | C4 | C5 | 105.7° | 104.9° |
N9 | C4 | N3 | 127.5° | 126.0° |
N7 | C8 | H8 | 122.2° | 125.5° |
C8 | N7 | C5 | 102.9° | 103.9° |
N7 | C5 | C6 | 129.8° | 128.6° |
N7 | C5 | C4 | 110.7° | 112.1° |
C6 | C5 | C4 | 119.6° | 119.3° |
C5 | C6 | O6 | 128.3° | 123.8° |
C5 | C6 | N1 | 112.5° | 110.7° |
C5 | C4 | N3 | 126.7° | 129.1° |
O6 | C6 | N1 | 119.2° | 125.4° |
C6 | N1 | C2 | 124.4° | 125.3° |
C6 | N1 | HN1 | 117.8° | 117.4° |
C2 | N1 | HN1 | 117.8° | 117.4° |
N1 | C2 | N2 | 115.8° | 115.3° |
N1 | C2 | N3 | 123.5° | 122.7° |
N2 | C2 | N3 | 120.7° | 122.0° |
C2 | N2 | HN21 | 125.4° | 118.3° |
C2 | N2 | HN22 | 109.2° | 118.3° |
C2 | N3 | C4 | 113.2° | 113.0° |
HN21 | N2 | HN22 | 125.3° | 123.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4P | P1 | O5P | O6P | 170.5° | 126.3° |
O4P | P1 | O5P | O3' | 122.8° | 126.8° |
O4P | P1 | O6P | O3' | 92.0° | 125.8° |
O4P | P1 | O5P | HOP5 | 76.4° | 48.8° |
O4P | P1 | O6P | HOP6 | 180.0° | 48.0° |
O4P | P1 | O3' | C3' | 175.9° | 60.0° |
O5P | P1 | O6P | O3' | 78.9° | 107.8° |
O5P | P1 | O6P | HOP6 | 9.1° | 78.5° |
O5P | P1 | O3' | C3' | 54.8° | 173.1° |
O6P | P1 | O5P | HOP5 | 94.2° | 77.4° |
O6P | P1 | O3' | C3' | 69.6° | 65.7° |
O3' | P1 | O5P | HOP5 | 46.4° | 175.7° |
O3' | P1 | O6P | HOP6 | 88.0° | 173.8° |
P1 | O3' | C3' | C4' | 157.6° | 173.4° |
P1 | O3' | C3' | C2' | 93.7° | 60.0° |
P1 | O3' | C3' | H3' | 31.8° | 62.1° |
OP1 | P | OP2 | OP3 | 179.4° | 126.3° |
OP1 | P | OP2 | O5' | 125.1° | 126.6° |
OP1 | P | OP3 | O5' | 64.6° | 125.8° |
OP1 | P | OP2 | HOP2 | 24.6° | 48.8° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.1° |
OP1 | P | O5' | C5' | 48.3° | 180.0° |
OP2 | P | OP3 | O5' | 114.4° | 107.7° |
OP2 | P | OP3 | HOP3 | 1.1° | 78.4° |
OP2 | P | O5' | C5' | 83.1° | 53.2° |
OP3 | P | OP2 | HOP2 | 155.9° | 77.5° |
OP3 | P | O5' | C5' | 157.9° | 54.2° |
O5' | P | OP2 | HOP2 | 149.7° | 175.4° |
O5' | P | OP3 | HOP3 | 115.4° | 173.9° |
P | O5' | C5' | C4' | 114.5° | 180.0° |
P | O5' | C5' | H5' | 126.5° | 59.9° |
P | O5' | C5' | H5'' | 5.5° | 59.9° |
O5' | C5' | C4' | H5' | 119.0° | 119.6° |
O5' | C5' | C4' | H5'' | 120.0° | 119.5° |
O5' | C5' | H5' | H5'' | 119.4° | 119.5° |
O5' | C5' | C4' | O4' | 59.3° | 61.8° |
O5' | C5' | C4' | C3' | 64.5° | 179.5° |
O5' | C5' | C4' | H4' | 178.3° | 56.3° |
C4' | C5' | H5' | H5'' | 119.4° | 121.2° |
C5' | C4' | O4' | C3' | 126.0° | 122.8° |
C5' | C4' | O4' | H4' | 116.5° | 118.3° |
C5' | C4' | C3' | H4' | 116.2° | 122.8° |
C5' | C4' | O4' | C1' | 135.1° | 148.9° |
C5' | C4' | C3' | O3' | 138.0° | 83.6° |
C5' | C4' | C3' | C2' | 106.5° | 157.2° |
C5' | C4' | C3' | H3' | 17.8° | 39.7° |
H5' | C5' | C4' | O4' | 59.7° | 57.8° |
H5' | C5' | C4' | C3' | 176.5° | 60.0° |
H5' | C5' | C4' | H4' | 59.3° | 175.9° |
H5'' | C5' | C4' | O4' | 179.3° | 178.7° |
H5'' | C5' | C4' | C3' | 55.5° | 60.9° |
H5'' | C5' | C4' | H4' | 61.7° | 63.3° |
O4' | C4' | C3' | H4' | 119.1° | 117.0° |
O4' | C4' | C3' | O3' | 97.4° | 156.2° |
O4' | C4' | C3' | C2' | 18.1° | 37.0° |
O4' | C4' | C3' | H3' | 142.5° | 80.5° |
C4' | O4' | C1' | C2' | 33.3° | 4.6° |
C4' | O4' | C1' | N9 | 158.5° | 128.8° |
C4' | O4' | C1' | H1' | 86.5° | 116.8° |
C3' | C4' | O4' | C1' | 9.1° | 26.2° |
C4' | C3' | O3' | C2' | 108.7° | 113.4° |
C4' | C3' | O3' | H3' | 125.7° | 124.5° |
C4' | C3' | C2' | H3' | 124.6° | 118.4° |
C4' | C3' | C2' | C1' | 36.0° | 33.0° |
C4' | C3' | C2' | H2' | 159.0° | 156.6° |
C4' | C3' | C2' | H2'' | 84.0° | 84.3° |
H4' | C4' | O4' | C1' | 108.4° | 92.8° |
H4' | C4' | C3' | O3' | 21.8° | 39.2° |
H4' | C4' | C3' | C2' | 137.2° | 80.0° |
H4' | C4' | C3' | H3' | 98.4° | 162.5° |
O4' | C1' | C2' | C3' | 44.2° | 18.6° |
O4' | C1' | C2' | N9 | 123.4° | 121.4° |
O4' | C1' | C2' | H1' | 121.8° | 119.8° |
O4' | C1' | C2' | H2' | 167.3° | 141.4° |
O4' | C1' | C2' | H2'' | 75.8° | 98.6° |
O4' | C1' | N9 | H1' | 121.5° | 117.1° |
O4' | C1' | N9 | C8 | 122.9° | 33.0° |
O4' | C1' | N9 | C4 | 69.3° | 147.1° |
O3' | C3' | C2' | H3' | 120.2° | 121.6° |
O3' | C3' | C2' | C1' | 79.3° | 152.9° |
O3' | C3' | C2' | H2' | 43.8° | 83.4° |
O3' | C3' | C2' | H2'' | 160.7° | 35.7° |
C3' | C2' | C1' | H2' | 123.1° | 122.8° |
C3' | C2' | C1' | H2'' | 120.0° | 117.2° |
C3' | C2' | H2' | H2'' | 122.4° | 120.9° |
C3' | C2' | C1' | N9 | 167.7° | 102.8° |
C3' | C2' | C1' | H1' | 77.6° | 138.4° |
H3' | C3' | C2' | C1' | 160.5° | 85.5° |
H3' | C3' | C2' | H2' | 76.4° | 38.2° |
H3' | C3' | C2' | H2'' | 40.5° | 157.3° |
C1' | C2' | H2' | H2'' | 122.3° | 121.8° |
C2' | C1' | N9 | H1' | 119.3° | 122.5° |
C2' | C1' | N9 | C8 | 3.6° | 87.5° |
C2' | C1' | N9 | C4 | 171.4° | 92.5° |
H2' | C2' | C1' | N9 | 69.3° | 20.0° |
H2' | C2' | C1' | H1' | 45.5° | 98.8° |
H2'' | C2' | C1' | N9 | 47.7° | 140.0° |
H2'' | C2' | C1' | H1' | 162.4° | 21.2° |
C1' | N9 | C8 | C4 | 170.0° | 180.0° |
C1' | N9 | C8 | N7 | 164.9° | 180.0° |
C1' | N9 | C8 | H8 | 15.1° | 0.1° |
C1' | N9 | C4 | C5 | 164.6° | 180.0° |
C1' | N9 | C4 | N3 | 13.5° | 0.0° |
H1' | C1' | N9 | C8 | 115.6° | 150.0° |
H1' | C1' | N9 | C4 | 52.1° | 30.0° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 2.6° | 0.0° |
C8 | N9 | C4 | C5 | 5.2° | 0.0° |
C8 | N9 | C4 | N3 | 176.7° | 180.0° |
C4 | N9 | C8 | N7 | 5.2° | 0.0° |
C4 | N9 | C8 | H8 | 174.9° | 180.0° |
N9 | C4 | C5 | N7 | 4.0° | 0.0° |
N9 | C4 | C5 | C6 | 175.8° | 180.0° |
N9 | C4 | C5 | N3 | 178.1° | 180.0° |
N9 | C4 | N3 | C2 | 178.4° | 180.0° |
C8 | N7 | C5 | C6 | 178.8° | 180.0° |
C8 | N7 | C5 | C4 | 1.0° | 0.0° |
H8 | C8 | N7 | C5 | 177.4° | 179.9° |
N7 | C5 | C6 | C4 | 179.8° | 180.0° |
N7 | C5 | C6 | O6 | 3.2° | 0.0° |
N7 | C5 | C6 | N1 | 177.4° | 180.0° |
N7 | C5 | C4 | N3 | 177.9° | 180.0° |
C5 | C6 | O6 | N1 | 179.4° | 180.0° |
C5 | C6 | N1 | C2 | 0.9° | 0.0° |
C5 | C6 | N1 | HN1 | 179.1° | 180.0° |
C6 | C5 | C4 | N3 | 2.3° | 0.0° |
C4 | C5 | C6 | O6 | 176.5° | 180.0° |
C4 | C5 | C6 | N1 | 2.9° | 0.0° |
C5 | C4 | N3 | C2 | 0.7° | 0.0° |
O6 | C6 | N1 | C2 | 178.6° | 180.0° |
O6 | C6 | N1 | HN1 | 1.4° | 0.0° |
C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
C6 | N1 | C2 | N2 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 2.2° | 0.0° |
N1 | C2 | N2 | N3 | 178.0° | 180.0° |
N1 | C2 | N2 | HN21 | 0.0° | 42.6° |
N1 | C2 | N2 | HN22 | 180.0° | 137.4° |
N1 | C2 | N3 | C4 | 2.9° | 0.0° |
HN1 | N1 | C2 | N2 | 0.1° | 0.1° |
HN1 | N1 | C2 | N3 | 177.8° | 180.0° |
C2 | N2 | HN21 | HN22 | 180.0° | 180.0° |
N2 | C2 | N3 | C4 | 179.3° | 180.0° |
N3 | C2 | N2 | HN21 | 177.9° | 137.4° |
N3 | C2 | N2 | HN22 | 2.0° | 42.6° |