23G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O5' | sing | 1.61Å | 1.41Å | |
P | OP1 | doub | 1.48Å | 1.40Å | |
P | OP2 | sing | 1.61Å | 1.44Å | |
N1 | C2 | sing | 1.36Å | 1.37Å | |
N1 | C6 | sing | 1.35Å | 1.38Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C2 | N2 | sing | 1.37Å | 1.27Å | |
C2 | N3 | doub | 1.31Å | 1.33Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N2 | HN2A | sing | 0.97Å | 1.00Å | |
N3 | C4 | sing | 1.34Å | 1.33Å | |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | |
C5 | N7 | sing | 1.36Å | 1.30Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.22Å | |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N9 | C1' | sing | 1.47Å | 1.50Å | |
PC | O2' | sing | 1.63Å | 1.55Å | |
PC | O3' | sing | 1.63Å | 1.51Å | |
PC | OC1 | sing | 1.61Å | 1.51Å | |
PC | OC2 | doub | 1.48Å | 1.49Å | |
C1' | C2' | sing | 1.54Å | 1.55Å | |
C1' | O4' | sing | 1.44Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | O2' | sing | 1.45Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C3' | O3' | sing | 1.43Å | 1.47Å | |
C3' | C4' | sing | 1.55Å | 1.55Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.41Å | |
C4' | C5' | sing | 1.53Å | 1.48Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | O5' | sing | 1.43Å | 1.35Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
P | OP3 | sing | 1.61Å | 1.72Å | |
OC1 | H11 | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5' | P | OP1 | 106.7° | 109.5° |
O5' | P | OP2 | 109.8° | 109.5° |
P | O5' | C5' | 118.0° | 123.0° |
O5' | P | OP3 | 109.7° | 109.5° |
OP1 | P | OP2 | 106.8° | 109.5° |
OP1 | P | OP3 | 112.2° | 109.4° |
OP2 | P | OP3 | 111.5° | 109.5° |
P | OP2 | HOP2 | 109.5° | 113.9° |
C2 | N1 | C6 | 115.7° | 120.3° |
C2 | N1 | HN1 | 122.1° | 119.8° |
N1 | C2 | N2 | 117.8° | 119.0° |
N1 | C2 | N3 | 123.8° | 121.9° |
C6 | N1 | HN1 | 122.1° | 119.9° |
N1 | C6 | C5 | 120.2° | 118.3° |
N1 | C6 | O6 | 119.4° | 120.8° |
N2 | C2 | N3 | 118.4° | 119.1° |
C2 | N2 | HN2 | 120.0° | 120.1° |
C2 | N2 | HN2A | 120.0° | 120.1° |
C2 | N3 | C4 | 121.6° | 121.2° |
HN2 | N2 | HN2A | 120.0° | 119.9° |
N3 | C4 | C5 | 117.9° | 119.7° |
N3 | C4 | N9 | 133.7° | 134.2° |
C5 | C4 | N9 | 108.4° | 106.1° |
C4 | C5 | C6 | 120.7° | 118.6° |
C4 | C5 | N7 | 106.2° | 107.3° |
C4 | N9 | C8 | 106.0° | 107.4° |
C4 | N9 | C1' | 129.5° | 126.3° |
C6 | C5 | N7 | 133.1° | 134.1° |
C5 | C6 | O6 | 120.4° | 120.8° |
C5 | N7 | C8 | 108.5° | 109.3° |
N7 | C8 | N9 | 110.9° | 109.8° |
N7 | C8 | H8 | 124.6° | 125.1° |
N9 | C8 | H8 | 124.5° | 125.1° |
C8 | N9 | C1' | 124.4° | 126.3° |
N9 | C1' | C2' | 122.2° | 109.8° |
N9 | C1' | O4' | 104.2° | 109.8° |
N9 | C1' | H1' | 103.3° | 109.8° |
O2' | PC | O3' | 106.9° | 102.2° |
O2' | PC | OC1 | 113.9° | 110.9° |
O2' | PC | OC2 | 109.8° | 110.9° |
PC | O2' | C2' | 108.2° | 101.8° |
O3' | PC | OC1 | 104.4° | 110.9° |
O3' | PC | OC2 | 117.2° | 110.9° |
PC | O3' | C3' | 101.7° | 105.1° |
OC1 | PC | OC2 | 104.9° | 110.8° |
PC | OC1 | H11 | 109.5° | 114.0° |
C2' | C1' | O4' | 105.0° | 107.4° |
C2' | C1' | H1' | 102.4° | 109.9° |
C1' | C2' | O2' | 114.9° | 107.7° |
C1' | C2' | C3' | 102.6° | 103.9° |
C1' | C2' | H2' | 108.7° | 112.3° |
O4' | C1' | H1' | 121.0° | 110.0° |
C1' | O4' | C4' | 109.5° | 106.9° |
O2' | C2' | C3' | 103.0° | 107.3° |
O2' | C2' | H2' | 108.3° | 112.3° |
C3' | C2' | H2' | 119.6° | 112.8° |
C2' | C3' | O3' | 108.6° | 110.3° |
C2' | C3' | C4' | 100.2° | 102.4° |
C2' | C3' | H3' | 118.3° | 111.2° |
O3' | C3' | C4' | 116.0° | 109.8° |
O3' | C3' | H3' | 103.1° | 111.1° |
C4' | C3' | H3' | 111.2° | 111.7° |
C3' | C4' | O4' | 108.4° | 103.5° |
C3' | C4' | C5' | 103.2° | 110.6° |
C3' | C4' | H4' | 112.2° | 110.6° |
O4' | C4' | C5' | 103.2° | 110.6° |
O4' | C4' | H4' | 112.2° | 110.7° |
C5' | C4' | H4' | 116.8° | 110.6° |
C4' | C5' | O5' | 110.8° | 109.5° |
C4' | C5' | H5' | 109.0° | 109.5° |
C4' | C5' | H5'A | 109.0° | 109.4° |
O5' | C5' | H5' | 109.0° | 109.5° |
O5' | C5' | H5'A | 109.0° | 109.5° |
H5' | C5' | H5'A | 109.9° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | P | OP1 | OP2 | 117.4° | 120.0° |
O5' | P | OP1 | OP3 | 120.2° | 120.0° |
O5' | P | OP2 | OP3 | 121.7° | 120.0° |
P | O5' | C5' | C4' | 139.8° | 180.0° |
P | O5' | C5' | H5' | 100.2° | 60.0° |
P | O5' | C5' | H5'A | 19.8° | 60.0° |
O5' | P | OP2 | HOP2 | 115.3° | 60.0° |
O5' | P | OP3 | HOP3 | 118.4° | 180.0° |
OP1 | P | OP2 | OP3 | 122.9° | 120.0° |
OP1 | P | O5' | C5' | 130.9° | 55.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
OP2 | P | O5' | C5' | 113.8° | 65.0° |
OP2 | P | OP3 | HOP3 | 119.8° | 60.0° |
C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
N1 | C2 | N2 | N3 | 179.0° | 180.0° |
N1 | C2 | N2 | HN2 | 179.0° | 0.1° |
N1 | C2 | N2 | HN2A | 1.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.5° | 0.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
C2 | N1 | C6 | O6 | 179.9° | 180.0° |
C6 | N1 | C2 | N2 | 178.9° | 180.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.0° |
N1 | C6 | C5 | C4 | 0.4° | 0.1° |
N1 | C6 | C5 | O6 | 179.8° | 180.0° |
N1 | C6 | C5 | N7 | 178.6° | 180.0° |
HN1 | N1 | C2 | N2 | 1.1° | 0.3° |
HN1 | N1 | C2 | N3 | 180.0° | 179.7° |
HN1 | N1 | C6 | C5 | 179.9° | 179.7° |
HN1 | N1 | C6 | O6 | 0.1° | 0.2° |
C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
N2 | C2 | N3 | C4 | 179.4° | 180.0° |
N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
C2 | N3 | C4 | C5 | 1.0° | 0.1° |
C2 | N3 | C4 | N9 | 178.9° | 180.0° |
N3 | C4 | C5 | N9 | 179.9° | 180.0° |
N3 | C4 | C5 | C6 | 0.9° | 0.1° |
N3 | C4 | C5 | N7 | 179.6° | 180.0° |
N3 | C4 | N9 | C8 | 179.9° | 180.0° |
N3 | C4 | N9 | C1' | 2.2° | 0.0° |
C4 | C5 | C6 | N7 | 178.3° | 179.9° |
C4 | C5 | C6 | O6 | 179.5° | 180.0° |
C4 | C5 | N7 | C8 | 0.8° | 0.0° |
C5 | C4 | N9 | C8 | 0.3° | 0.0° |
C5 | C4 | N9 | C1' | 178.0° | 180.0° |
N9 | C4 | C5 | C6 | 179.0° | 180.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.0° |
C4 | N9 | C8 | N7 | 0.8° | 0.0° |
C4 | N9 | C8 | C1' | 177.8° | 180.0° |
C4 | N9 | C8 | H8 | 179.2° | 180.0° |
C4 | N9 | C1' | C2' | 30.3° | 85.0° |
C4 | N9 | C1' | O4' | 88.1° | 157.1° |
C4 | N9 | C1' | H1' | 144.6° | 36.0° |
C6 | C5 | N7 | C8 | 179.2° | 179.9° |
N7 | C5 | C6 | O6 | 1.2° | 0.1° |
C5 | N7 | C8 | N9 | 1.0° | 0.0° |
C5 | N7 | C8 | H8 | 179.0° | 180.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 178.6° | 180.0° |
C8 | N9 | C1' | C2' | 152.4° | 95.0° |
C8 | N9 | C1' | O4' | 89.2° | 22.9° |
C8 | N9 | C1' | H1' | 38.1° | 144.0° |
H8 | C8 | N9 | C1' | 1.4° | 0.0° |
N9 | C1' | C2' | O4' | 118.0° | 119.4° |
N9 | C1' | C2' | H1' | 114.7° | 121.0° |
N9 | C1' | O4' | H1' | 115.4° | 121.0° |
N9 | C1' | C2' | O2' | 98.6° | 124.9° |
N9 | C1' | C2' | C3' | 150.4° | 121.5° |
N9 | C1' | C2' | H2' | 22.9° | 0.7° |
N9 | C1' | O4' | C4' | 143.6° | 145.9° |
O2' | PC | O3' | OC1 | 121.0° | 118.2° |
O2' | PC | O3' | OC2 | 123.6° | 118.2° |
O2' | PC | OC1 | OC2 | 120.0° | 123.6° |
PC | O2' | C2' | C1' | 91.4° | 146.7° |
PC | O2' | C2' | C3' | 19.3° | 35.3° |
PC | O2' | C2' | H2' | 146.9° | 89.1° |
O2' | PC | O3' | C3' | 20.2° | 20.8° |
O2' | PC | OC1 | H11 | 120.0° | 60.0° |
O3' | PC | OC1 | OC2 | 123.8° | 123.6° |
O3' | PC | O2' | C2' | 0.1° | 34.4° |
PC | O3' | C3' | C2' | 33.1° | 0.3° |
PC | O3' | C3' | C4' | 145.1° | 112.4° |
PC | O3' | C3' | H3' | 93.1° | 123.5° |
O3' | PC | OC1 | H11 | 123.8° | 172.8° |
OC1 | PC | O2' | C2' | 114.6° | 83.8° |
OC1 | PC | O3' | C3' | 100.8° | 97.4° |
OC2 | PC | O2' | C2' | 128.2° | 152.6° |
OC2 | PC | O3' | C3' | 143.8° | 139.0° |
OC2 | PC | OC1 | H11 | 0.0° | 63.6° |
C2' | C1' | O4' | H1' | 115.0° | 119.6° |
C1' | C2' | O2' | C3' | 110.7° | 111.3° |
C1' | C2' | O2' | H2' | 121.7° | 124.2° |
C1' | C2' | C3' | H2' | 120.3° | 121.9° |
C1' | C2' | C3' | O3' | 85.7° | 137.6° |
C1' | C2' | C3' | C4' | 36.4° | 20.8° |
C1' | C2' | C3' | H3' | 157.3° | 98.6° |
C2' | C1' | O4' | C4' | 14.0° | 26.5° |
O4' | C1' | C2' | O2' | 143.3° | 115.7° |
O4' | C1' | C2' | C3' | 32.4° | 2.1° |
O4' | C1' | C2' | H2' | 95.2° | 120.1° |
C1' | O4' | C4' | C3' | 10.0° | 39.9° |
C1' | O4' | C4' | C5' | 99.0° | 158.4° |
C1' | O4' | C4' | H4' | 134.5° | 78.6° |
H1' | C1' | C2' | O2' | 16.1° | 3.9° |
H1' | C1' | C2' | C3' | 94.9° | 117.5° |
H1' | C1' | C2' | H2' | 137.5° | 120.3° |
H1' | C1' | O4' | C4' | 101.0° | 93.1° |
O2' | C2' | C3' | H2' | 120.1° | 124.2° |
O2' | C2' | C3' | O3' | 33.9° | 23.7° |
O2' | C2' | C3' | C4' | 156.0° | 93.2° |
O2' | C2' | C3' | H3' | 83.1° | 147.4° |
C2' | C3' | O3' | C4' | 111.9° | 112.1° |
C2' | C3' | O3' | H3' | 126.3° | 123.8° |
C2' | C3' | C4' | H3' | 125.9° | 119.1° |
C2' | C3' | C4' | O4' | 29.8° | 36.9° |
C2' | C3' | C4' | C5' | 79.2° | 155.4° |
C2' | C3' | C4' | H4' | 154.3° | 81.6° |
H2' | C2' | C3' | O3' | 154.0° | 100.5° |
H2' | C2' | C3' | C4' | 83.9° | 142.7° |
H2' | C2' | C3' | H3' | 37.0° | 23.3° |
O3' | C3' | C4' | H3' | 117.4° | 123.8° |
O3' | C3' | C4' | O4' | 86.9° | 154.1° |
O3' | C3' | C4' | C5' | 164.1° | 87.4° |
O3' | C3' | C4' | H4' | 37.6° | 35.5° |
C3' | C4' | O4' | C5' | 109.0° | 118.5° |
C3' | C4' | O4' | H4' | 124.5° | 118.6° |
C3' | C4' | C5' | H4' | 123.6° | 122.9° |
C3' | C4' | C5' | O5' | 125.8° | 175.0° |
C3' | C4' | C5' | H5' | 5.9° | 55.0° |
C3' | C4' | C5' | H5'A | 114.1° | 65.0° |
H3' | C3' | C4' | O4' | 155.6° | 82.2° |
H3' | C3' | C4' | C5' | 46.7° | 36.3° |
H3' | C3' | C4' | H4' | 79.9° | 159.3° |
O4' | C4' | C5' | H4' | 123.6° | 123.0° |
O4' | C4' | C5' | O5' | 121.3° | 70.9° |
O4' | C4' | C5' | H5' | 118.7° | 169.1° |
O4' | C4' | C5' | H5'A | 1.3° | 49.1° |
C4' | C5' | O5' | H5' | 120.0° | 120.0° |
C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
C4' | C5' | H5' | H5'A | 119.5° | 120.0° |
H4' | C4' | C5' | O5' | 2.3° | 52.1° |
H4' | C4' | C5' | H5' | 117.7° | 68.0° |
H4' | C4' | C5' | H5'A | 122.3° | 172.1° |
O5' | C5' | H5' | H5'A | 119.4° | 120.0° |
C5' | O5' | P | OP3 | 9.0° | 175.0° |
OP3 | P | OP2 | HOP2 | 122.9° | 60.0° |