SAY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.47Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
P | O3P | sing | 1.61Å | 1.59Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.50Å | |
C2' | C1' | sing | 1.55Å | 1.51Å | |
C1' | CAA | sing | 1.51Å | 1.52Å | |
CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
CAE | CAD | doub | 1.40Å | 1.38Å | Aromatic |
CAD | CAG | sing | 1.47Å | 1.49Å | |
CAG | OAH | doub | 1.21Å | 1.36Å | |
CAD | CAC | sing | 1.41Å | 1.40Å | Aromatic |
CAC | OAR | sing | 1.36Å | 1.31Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
OAR | HAR | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 109.4° | 109.5° |
O1P | P | O5' | 114.7° | 109.5° |
O1P | P | O3P | 112.5° | 109.4° |
O2P | P | O5' | 107.4° | 109.5° |
O2P | P | O3P | 113.2° | 109.4° |
P | O2P | H2P | 109.5° | 114.0° |
O5' | P | O3P | 99.2° | 109.5° |
P | O5' | C5' | 116.3° | 123.0° |
P | O3P | H3P | 109.5° | 114.0° |
O5' | C5' | C4' | 113.8° | 109.4° |
O5' | C5' | H5'1 | 108.0° | 109.5° |
O5' | C5' | H5'2 | 107.1° | 109.5° |
C5' | C4' | O4' | 110.5° | 109.9° |
C5' | C4' | C3' | 110.8° | 109.9° |
C4' | C5' | H5'1 | 108.0° | 109.5° |
C4' | C5' | H5'2 | 107.1° | 109.5° |
C5' | C4' | H4' | 106.9° | 109.9° |
O4' | C4' | C3' | 106.5° | 107.3° |
C4' | O4' | C1' | 107.5° | 106.9° |
O4' | C4' | H4' | 111.2° | 109.9° |
C4' | C3' | O3' | 107.8° | 110.4° |
C4' | C3' | C2' | 103.3° | 104.2° |
C3' | C4' | H4' | 110.9° | 110.0° |
C4' | C3' | H3' | 114.7° | 110.5° |
O4' | C1' | C2' | 104.2° | 103.5° |
O4' | C1' | CAA | 97.1° | 110.6° |
O4' | C1' | H1' | 122.1° | 110.7° |
O3' | C3' | C2' | 110.3° | 110.5° |
O3' | C3' | H3' | 108.2° | 110.5° |
C3' | O3' | HA | 109.5° | 114.0° |
C3' | C2' | C1' | 100.1° | 102.1° |
C2' | C3' | H3' | 112.4° | 110.6° |
C3' | C2' | H2'1 | 112.8° | 111.0° |
C3' | C2' | H2'2 | 114.7° | 110.8° |
C2' | C1' | CAA | 115.4° | 110.6° |
C2' | C1' | H1' | 106.0° | 110.6° |
C1' | C2' | H2'1 | 112.7° | 110.9° |
C1' | C2' | H2'2 | 114.7° | 110.9° |
C1' | CAA | CAB | 120.0° | 119.8° |
C1' | CAA | CAF | 119.3° | 119.7° |
CAA | C1' | H1' | 112.2° | 110.6° |
CAB | CAA | CAF | 120.7° | 120.4° |
CAA | CAB | CAC | 119.7° | 120.2° |
CAA | CAB | HAB | 120.2° | 119.9° |
CAA | CAF | CAE | 119.6° | 120.4° |
CAA | CAF | HAF | 120.2° | 119.9° |
CAB | CAC | CAD | 118.7° | 119.7° |
CAB | CAC | OAR | 118.7° | 120.2° |
CAC | CAB | HAB | 120.1° | 119.9° |
CAF | CAE | CAD | 119.9° | 119.8° |
CAE | CAF | HAF | 120.2° | 119.8° |
CAF | CAE | HAE | 120.0° | 120.1° |
CAE | CAD | CAG | 113.5° | 120.2° |
CAE | CAD | CAC | 121.3° | 119.5° |
CAD | CAE | HAE | 120.0° | 120.1° |
CAD | CAG | OAH | 135.6° | 120.0° |
CAG | CAD | CAC | 125.2° | 120.3° |
CAD | CAG | HAG | 112.2° | 120.0° |
OAH | CAG | HAG | 112.2° | 120.1° |
CAD | CAC | OAR | 122.7° | 120.1° |
CAC | OAR | HAR | 109.5° | 114.0° |
H5'1 | C5' | H5'2 | 112.9° | 109.5° |
H2'1 | C2' | H2'2 | 102.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O5' | 125.1° | 120.1° |
O1P | P | O2P | O3P | 126.4° | 119.9° |
O1P | P | O5' | O3P | 120.2° | 120.0° |
O1P | P | O5' | C5' | 145.7° | 55.0° |
O1P | P | O2P | H2P | 179.7° | 60.0° |
O1P | P | O3P | H3P | 8.8° | 180.0° |
O2P | P | O5' | O3P | 118.0° | 120.0° |
O2P | P | O5' | C5' | 23.9° | 175.0° |
O2P | P | O3P | H3P | 133.5° | 60.1° |
P | O5' | C5' | C4' | 150.3° | 180.0° |
O5' | P | O2P | H2P | 54.6° | 180.0° |
O5' | P | O3P | H3P | 112.9° | 60.0° |
P | O5' | C5' | H5'1 | 89.7° | 60.1° |
P | O5' | C5' | H5'2 | 32.2° | 60.0° |
O3P | P | O5' | C5' | 94.1° | 65.0° |
O3P | P | O2P | H2P | 53.9° | 60.0° |
O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
O5' | C5' | C4' | H5'2 | 118.1° | 120.0° |
O5' | C5' | C4' | O4' | 72.9° | 66.5° |
O5' | C5' | C4' | C3' | 45.0° | 175.7° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
O5' | C5' | C4' | H4' | 166.0° | 54.5° |
C5' | C4' | O4' | C3' | 120.4° | 119.4° |
C5' | C4' | O4' | H4' | 118.6° | 121.0° |
C5' | C4' | C3' | H4' | 118.6° | 121.1° |
C5' | C4' | O4' | C1' | 132.1° | 145.9° |
C5' | C4' | C3' | O3' | 138.7° | 119.9° |
C5' | C4' | C3' | C2' | 104.5° | 121.4° |
C4' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
C5' | C4' | C3' | H3' | 18.1° | 2.6° |
O4' | C4' | C3' | H4' | 121.1° | 119.5° |
O4' | C4' | C3' | O3' | 101.0° | 120.7° |
O4' | C4' | C3' | C2' | 15.7° | 2.0° |
C4' | O4' | C1' | C2' | 34.5° | 40.1° |
C4' | O4' | C1' | CAA | 153.0° | 158.6° |
O4' | C4' | C5' | H5'1 | 167.1° | 53.5° |
O4' | C4' | C5' | H5'2 | 45.2° | 173.5° |
O4' | C4' | C3' | H3' | 138.4° | 116.8° |
C4' | O4' | C1' | H1' | 85.2° | 78.4° |
C3' | C4' | O4' | C1' | 11.6° | 26.5° |
C4' | C3' | O3' | C2' | 112.1° | 114.8° |
C4' | C3' | O3' | H3' | 124.5° | 122.5° |
C4' | C3' | C2' | H3' | 124.1° | 118.7° |
C4' | C3' | C2' | C1' | 34.7° | 20.9° |
C3' | C4' | C5' | H5'1 | 75.0° | 64.3° |
C3' | C4' | C5' | H5'2 | 163.1° | 55.7° |
C4' | C3' | O3' | HA | 38.2° | 180.0° |
C4' | C3' | C2' | H2'1 | 85.3° | 97.3° |
C4' | C3' | C2' | H2'2 | 157.9° | 139.1° |
O4' | C1' | C2' | C3' | 43.0° | 37.1° |
O4' | C1' | C2' | CAA | 105.1° | 118.5° |
O4' | C1' | C2' | H1' | 130.1° | 118.6° |
O4' | C1' | CAA | H1' | 129.0° | 123.0° |
O4' | C1' | CAA | CAB | 107.7° | 141.4° |
O4' | C1' | CAA | CAF | 70.6° | 38.2° |
C1' | O4' | C4' | H4' | 109.3° | 93.1° |
O4' | C1' | C2' | H2'1 | 77.0° | 81.2° |
O4' | C1' | C2' | H2'2 | 166.2° | 155.2° |
O3' | C3' | C2' | H3' | 120.8° | 122.7° |
O3' | C3' | C2' | C1' | 80.4° | 97.7° |
O3' | C3' | C4' | H4' | 20.1° | 1.2° |
O3' | C3' | C2' | H2'1 | 159.7° | 144.0° |
O3' | C3' | C2' | H2'2 | 42.9° | 20.4° |
C3' | C2' | C1' | H2'1 | 120.0° | 118.3° |
C3' | C2' | C1' | H2'2 | 123.2° | 118.1° |
C3' | C2' | C1' | CAA | 148.1° | 155.6° |
C2' | C3' | C4' | H4' | 136.9° | 117.5° |
C3' | C2' | C1' | H1' | 87.1° | 81.5° |
C2' | C3' | O3' | HA | 74.0° | 65.2° |
C3' | C2' | H2'1 | H2'2 | 123.8° | 123.6° |
C2' | C1' | CAA | H1' | 121.5° | 122.9° |
C2' | C1' | CAA | CAB | 142.8° | 104.5° |
C2' | C1' | CAA | CAF | 38.9° | 75.8° |
C1' | C2' | C3' | H3' | 158.8° | 139.6° |
C1' | C2' | H2'1 | H2'2 | 123.8° | 123.7° |
C1' | CAA | CAB | CAF | 178.2° | 179.7° |
C1' | CAA | CAB | CAC | 179.2° | 180.0° |
C1' | CAA | CAF | CAE | 179.2° | 180.0° |
CAA | C1' | C2' | H2'1 | 28.1° | 37.3° |
CAA | C1' | C2' | H2'2 | 88.7° | 86.3° |
C1' | CAA | CAB | HAB | 0.8° | 0.0° |
C1' | CAA | CAF | HAF | 0.8° | 0.0° |
CAA | CAB | CAC | HAB | 180.0° | 180.0° |
CAB | CAA | CAF | CAE | 0.9° | 0.3° |
CAA | CAB | CAC | CAD | 1.0° | 0.0° |
CAA | CAB | CAC | OAR | 178.3° | 180.0° |
CAB | CAA | C1' | H1' | 21.3° | 18.4° |
CAB | CAA | CAF | HAF | 179.1° | 179.7° |
CAF | CAA | CAB | CAC | 1.0° | 0.3° |
CAA | CAF | CAE | HAF | 180.0° | 180.0° |
CAA | CAF | CAE | CAD | 0.8° | 0.0° |
CAF | CAA | C1' | H1' | 160.4° | 161.2° |
CAF | CAA | CAB | HAB | 179.0° | 179.7° |
CAA | CAF | CAE | HAE | 179.2° | 180.0° |
CAB | CAC | CAD | CAE | 0.9° | 0.2° |
CAB | CAC | CAD | CAG | 179.7° | 180.0° |
CAB | CAC | CAD | OAR | 179.3° | 180.0° |
CAB | CAC | OAR | HAR | 130.4° | 90.0° |
CAF | CAE | CAD | HAE | 180.0° | 180.0° |
CAF | CAE | CAD | CAG | 179.8° | 180.0° |
CAF | CAE | CAD | CAC | 0.8° | 0.2° |
CAE | CAD | CAG | CAC | 178.9° | 179.8° |
CAE | CAD | CAG | OAH | 178.4° | 0.0° |
CAE | CAD | CAC | OAR | 178.3° | 179.8° |
CAD | CAE | CAF | HAF | 179.2° | 180.0° |
CAE | CAD | CAG | HAG | 1.6° | 180.0° |
CAD | CAG | OAH | HAG | 180.0° | 180.0° |
CAG | CAD | CAC | OAR | 0.5° | 0.0° |
CAG | CAD | CAE | HAE | 0.2° | 0.0° |
OAH | CAG | CAD | CAC | 2.7° | 179.8° |
CAD | CAC | CAB | HAB | 179.0° | 179.9° |
CAC | CAD | CAE | HAE | 179.1° | 179.8° |
CAC | CAD | CAG | HAG | 177.3° | 0.2° |
CAD | CAC | OAR | HAR | 48.9° | 90.0° |
OAR | CAC | CAB | HAB | 1.7° | 0.0° |
H5'1 | C5' | C4' | H4' | 46.0° | 174.5° |
H5'2 | C5' | C4' | H4' | 75.9° | 65.5° |
H4' | C4' | C3' | H3' | 100.5° | 123.7° |
H3' | C3' | O3' | HA | 162.7° | 57.5° |
H3' | C3' | C2' | H2'1 | 38.8° | 21.4° |
H3' | C3' | C2' | H2'2 | 78.0° | 102.2° |
H1' | C1' | C2' | H2'1 | 152.9° | 160.2° |
H1' | C1' | C2' | H2'2 | 36.2° | 36.6° |
HAF | CAF | CAE | HAE | 0.8° | 0.0° |