I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.61Å | 1.60Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 1.51Å | |
P | OP2 | sing | 1.61Å | 1.49Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.46Å | |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.27Å | |
C6 | N1 | sing | 1.35Å | 1.38Å | |
N1 | C2 | sing | 1.36Å | 1.37Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C2 | N3 | doub | 1.30Å | 1.33Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 109.5° | 114.0° |
OP3 | P | OP1 | 107.2° | 109.5° |
OP3 | P | OP2 | 111.3° | 109.5° |
OP3 | P | O5' | 101.9° | 109.5° |
OP1 | P | OP2 | 119.9° | 109.5° |
OP1 | P | O5' | 105.7° | 109.5° |
OP2 | P | O5' | 109.3° | 109.4° |
P | OP2 | HOP2 | 109.5° | 114.0° |
P | O5' | C5' | 119.0° | 122.9° |
O5' | C5' | C4' | 110.5° | 109.4° |
O5' | C5' | H5' | 109.2° | 109.4° |
O5' | C5' | H5'' | 109.2° | 109.5° |
C4' | C5' | H5' | 109.2° | 109.5° |
C4' | C5' | H5'' | 109.2° | 109.4° |
C5' | C4' | O4' | 110.3° | 109.9° |
C5' | C4' | C3' | 117.0° | 109.9° |
C5' | C4' | H4' | 108.7° | 109.8° |
H5' | C5' | H5'' | 109.5° | 109.5° |
O4' | C4' | C3' | 102.3° | 107.3° |
O4' | C4' | H4' | 109.5° | 109.9° |
C4' | O4' | C1' | 109.0° | 106.9° |
C3' | C4' | H4' | 108.7° | 110.0° |
C4' | C3' | O3' | 111.9° | 110.5° |
C4' | C3' | C2' | 100.0° | 104.2° |
C4' | C3' | H3' | 110.3° | 110.5° |
O4' | C1' | C2' | 106.2° | 103.5° |
O4' | C1' | N9 | 109.0° | 110.6° |
O4' | C1' | H1' | 111.4° | 110.6° |
O3' | C3' | C2' | 112.3° | 110.5° |
O3' | C3' | H3' | 111.7° | 110.5° |
C3' | O3' | HO3' | 109.5° | 113.9° |
C2' | C3' | H3' | 110.2° | 110.6° |
C3' | C2' | O2' | 112.9° | 110.9° |
C3' | C2' | C1' | 101.6° | 102.1° |
C3' | C2' | H2' | 111.0° | 110.9° |
O2' | C2' | C1' | 107.2° | 110.9° |
O2' | C2' | H2' | 112.7° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C1' | C2' | H2' | 110.8° | 110.9° |
C2' | C1' | N9 | 109.7° | 110.6° |
C2' | C1' | H1' | 109.7° | 110.6° |
N9 | C1' | H1' | 110.8° | 110.7° |
C1' | N9 | C8 | 127.0° | 126.2° |
C1' | N9 | C4 | 126.1° | 126.3° |
C8 | N9 | C4 | 106.9° | 107.5° |
N9 | C8 | N7 | 113.2° | 109.7° |
N9 | C8 | H8 | 123.4° | 125.1° |
N9 | C4 | C5 | 105.3° | 106.1° |
N9 | C4 | N3 | 126.4° | 134.3° |
N7 | C8 | H8 | 123.4° | 125.1° |
C8 | N7 | C5 | 104.2° | 109.3° |
N7 | C5 | C6 | 131.0° | 134.3° |
N7 | C5 | C4 | 110.4° | 107.3° |
C6 | C5 | C4 | 118.6° | 118.4° |
C5 | C6 | O6 | 129.0° | 120.9° |
C5 | C6 | N1 | 111.1° | 118.2° |
C5 | C4 | N3 | 128.3° | 119.5° |
O6 | C6 | N1 | 119.9° | 120.9° |
C6 | N1 | C2 | 125.0° | 120.4° |
C6 | N1 | H1 | 117.5° | 119.8° |
C2 | N1 | H1 | 117.5° | 119.8° |
N1 | C2 | N3 | 124.9° | 122.2° |
N1 | C2 | H2 | 117.5° | 118.9° |
N3 | C2 | H2 | 117.6° | 118.9° |
C2 | N3 | C4 | 112.1° | 121.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 128.0° | 120.0° |
OP3 | P | OP1 | O5' | 108.1° | 120.0° |
OP3 | P | OP2 | O5' | 111.7° | 120.0° |
OP3 | P | OP2 | HOP2 | 126.1° | 60.0° |
OP3 | P | O5' | C5' | 56.5° | 65.1° |
HOP3 | OP3 | P | OP1 | 0.0° | 180.0° |
HOP3 | OP3 | P | OP2 | 132.9° | 60.0° |
HOP3 | OP3 | P | O5' | 110.8° | 60.0° |
OP1 | P | OP2 | O5' | 122.1° | 120.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
OP1 | P | O5' | C5' | 55.4° | 55.0° |
OP2 | P | O5' | C5' | 174.4° | 175.0° |
O5' | P | OP2 | HOP2 | 122.1° | 180.0° |
P | O5' | C5' | C4' | 160.3° | 180.0° |
P | O5' | C5' | H5' | 79.6° | 60.1° |
P | O5' | C5' | H5'' | 40.1° | 60.0° |
O5' | C5' | C4' | H5' | 120.1° | 119.9° |
O5' | C5' | C4' | H5'' | 120.2° | 120.0° |
O5' | C5' | H5' | H5'' | 119.5° | 120.1° |
O5' | C5' | C4' | O4' | 66.9° | 66.4° |
O5' | C5' | C4' | C3' | 49.5° | 175.7° |
O5' | C5' | C4' | H4' | 173.0° | 54.6° |
C4' | C5' | H5' | H5'' | 119.5° | 120.0° |
C5' | C4' | O4' | C3' | 125.2° | 119.4° |
C5' | C4' | O4' | H4' | 119.6° | 121.0° |
C5' | C4' | C3' | H4' | 123.6° | 121.1° |
C5' | C4' | O4' | C1' | 156.4° | 146.0° |
C5' | C4' | C3' | O3' | 75.8° | 119.8° |
C5' | C4' | C3' | C2' | 165.1° | 121.5° |
C5' | C4' | C3' | H3' | 49.1° | 2.7° |
H5' | C5' | C4' | O4' | 173.0° | 53.6° |
H5' | C5' | C4' | C3' | 70.6° | 64.3° |
H5' | C5' | C4' | H4' | 52.9° | 174.5° |
H5'' | C5' | C4' | O4' | 53.3° | 173.6° |
H5'' | C5' | C4' | C3' | 169.7° | 55.7° |
H5'' | C5' | C4' | H4' | 66.8° | 65.5° |
O4' | C4' | C3' | H4' | 115.7° | 119.5° |
O4' | C4' | C3' | O3' | 163.5° | 120.7° |
O4' | C4' | C3' | C2' | 44.4° | 2.0° |
O4' | C4' | C3' | H3' | 71.6° | 116.8° |
C4' | O4' | C1' | C2' | 4.7° | 40.1° |
C4' | O4' | C1' | N9 | 122.8° | 158.5° |
C4' | O4' | C1' | H1' | 114.6° | 78.4° |
C3' | C4' | O4' | C1' | 31.2° | 26.5° |
C4' | C3' | O3' | C2' | 111.5° | 114.7° |
C4' | C3' | O3' | H3' | 124.2° | 122.5° |
C4' | C3' | C2' | H3' | 116.1° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 73.5° | 139.1° |
C4' | C3' | C2' | C1' | 40.9° | 20.9° |
C4' | C3' | C2' | H2' | 158.8° | 97.3° |
H4' | C4' | O4' | C1' | 83.9° | 93.1° |
H4' | C4' | C3' | O3' | 47.8° | 1.2° |
H4' | C4' | C3' | C2' | 71.3° | 117.5° |
H4' | C4' | C3' | H3' | 172.7° | 123.7° |
O4' | C1' | C2' | C3' | 23.4° | 37.1° |
O4' | C1' | C2' | O2' | 95.2° | 155.2° |
O4' | C1' | C2' | N9 | 117.6° | 118.5° |
O4' | C1' | C2' | H1' | 120.4° | 118.5° |
O4' | C1' | C2' | H2' | 141.4° | 81.1° |
O4' | C1' | N9 | H1' | 122.9° | 123.0° |
O4' | C1' | N9 | C8 | 16.8° | 23.6° |
O4' | C1' | N9 | C4 | 165.6° | 156.7° |
O3' | C3' | C2' | H3' | 125.1° | 122.7° |
O3' | C3' | C2' | O2' | 45.2° | 20.4° |
O3' | C3' | C2' | C1' | 159.7° | 97.8° |
O3' | C3' | C2' | H2' | 82.4° | 144.0° |
C2' | C3' | O3' | HO3' | 68.5° | 65.3° |
C3' | C2' | O2' | C1' | 111.0° | 112.7° |
C3' | C2' | O2' | H2' | 126.8° | 123.6° |
C3' | C2' | C1' | H2' | 118.0° | 118.2° |
C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
C3' | C2' | C1' | N9 | 94.3° | 155.5° |
C3' | C2' | C1' | H1' | 143.8° | 81.4° |
H3' | C3' | O3' | HO3' | 55.8° | 57.5° |
H3' | C3' | C2' | O2' | 170.4° | 102.2° |
H3' | C3' | C2' | C1' | 75.2° | 139.6° |
H3' | C3' | C2' | H2' | 42.7° | 21.3° |
O2' | C2' | C1' | H2' | 123.4° | 123.6° |
O2' | C2' | C1' | N9 | 147.1° | 86.3° |
O2' | C2' | C1' | H1' | 25.2° | 36.7° |
C1' | C2' | O2' | HO2' | 69.0° | 174.2° |
C2' | C1' | N9 | H1' | 121.2° | 123.0° |
C2' | C1' | N9 | C8 | 99.1° | 90.5° |
C2' | C1' | N9 | C4 | 78.5° | 89.2° |
H2' | C2' | O2' | HO2' | 53.2° | 62.1° |
H2' | C2' | C1' | N9 | 23.8° | 37.4° |
H2' | C2' | C1' | H1' | 98.2° | 160.4° |
C1' | N9 | C8 | C4 | 178.0° | 179.7° |
C1' | N9 | C8 | N7 | 176.9° | 180.0° |
C1' | N9 | C8 | H8 | 3.1° | 0.1° |
C1' | N9 | C4 | C5 | 177.1° | 179.8° |
C1' | N9 | C4 | N3 | 2.1° | 0.8° |
H1' | C1' | N9 | C8 | 139.7° | 146.6° |
H1' | C1' | N9 | C4 | 42.7° | 33.8° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.7° | 0.0° |
C8 | N9 | C4 | C5 | 0.9° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.4° |
C4 | N9 | C8 | N7 | 1.0° | 0.3° |
C4 | N9 | C8 | H8 | 178.9° | 179.8° |
N9 | C4 | C5 | N7 | 0.5° | 0.4° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N3 | 179.2° | 179.2° |
N9 | C4 | N3 | C2 | 178.8° | 179.5° |
C8 | N7 | C5 | C6 | 179.6° | 180.0° |
C8 | N7 | C5 | C4 | 0.1° | 0.3° |
H8 | C8 | N7 | C5 | 179.3° | 179.9° |
N7 | C5 | C6 | C4 | 179.7° | 179.7° |
N7 | C5 | C6 | O6 | 0.1° | 0.0° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.7° | 179.6° |
C5 | C6 | O6 | N1 | 179.7° | 180.0° |
C5 | C6 | N1 | C2 | 0.1° | 0.0° |
C5 | C6 | N1 | H1 | 179.9° | 180.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.6° |
C4 | C5 | C6 | O6 | 179.6° | 179.7° |
C4 | C5 | C6 | N1 | 0.6° | 0.3° |
C5 | C4 | N3 | C2 | 0.3° | 0.6° |
O6 | C6 | N1 | C2 | 179.9° | 180.0° |
O6 | C6 | N1 | H1 | 0.1° | 0.0° |
C6 | N1 | C2 | H1 | 180.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.8° | 0.0° |
C6 | N1 | C2 | H2 | 179.2° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.9° | 0.3° |
H1 | N1 | C2 | N3 | 179.2° | 180.0° |
H1 | N1 | C2 | H2 | 0.8° | 0.0° |
H2 | C2 | N3 | C4 | 179.1° | 179.7° |