Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.48Å | |
P | O2P | sing | 2.12Å | 18.12Å | |
P | O3P | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.64Å | |
O2P | H2P | sing | 1.60Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.58Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.45Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.55Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C1' | N1 | sing | 1.46Å | 1.49Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.35Å | 1.45Å | |
N1 | C6 | sing | 1.36Å | 1.36Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.34Å | 1.38Å | |
N3 | C4 | doub | 1.32Å | 1.37Å | |
C4 | C5 | sing | 1.40Å | 1.37Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C5M | sing | 1.51Å | 1.51Å | |
C5 | C6 | doub | 1.36Å | 1.30Å | |
C5M | H5M1 | sing | 1.09Å | 1.10Å | |
C5M | H5M2 | sing | 1.09Å | 1.10Å | |
C5M | H5M3 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 109.1° | 133.1° |
O1P | P | O3P | 117.9° | 109.4° |
O1P | P | O5' | 108.2° | 109.5° |
O2P | P | O3P | 121.0° | 100.4° |
O2P | P | O5' | 89.1° | 92.8° |
P | O2P | H2P | 109.1° | 70.6° |
O3P | P | O5' | 106.8° | 109.5° |
P | O3P | H3P | 109.5° | 114.0° |
P | O5' | C5' | 131.1° | 123.0° |
O5' | C5' | C4' | 118.9° | 109.5° |
O5' | C5' | H5'1 | 106.4° | 109.5° |
O5' | C5' | H5'2 | 104.3° | 109.5° |
C4' | C5' | H5'1 | 106.5° | 109.5° |
C4' | C5' | H5'2 | 104.3° | 109.5° |
C5' | C4' | O4' | 112.6° | 110.6° |
C5' | C4' | C3' | 117.2° | 110.6° |
C5' | C4' | H4' | 100.2° | 110.5° |
H5'1 | C5' | H5'2 | 117.2° | 109.5° |
O4' | C4' | C3' | 104.7° | 103.5° |
O4' | C4' | H4' | 113.7° | 110.6° |
C4' | O4' | C1' | 111.3° | 107.0° |
C3' | C4' | H4' | 108.8° | 110.7° |
C4' | C3' | O3' | 111.9° | 111.0° |
C4' | C3' | C2' | 103.4° | 102.1° |
C4' | C3' | H3' | 112.1° | 110.9° |
O4' | C1' | C2' | 105.7° | 107.3° |
O4' | C1' | N1 | 103.1° | 109.9° |
O4' | C1' | H1' | 117.9° | 109.9° |
O3' | C3' | C2' | 110.2° | 110.9° |
O3' | C3' | H3' | 105.6° | 110.8° |
C3' | O3' | HA | 109.5° | 114.0° |
C2' | C3' | H3' | 113.8° | 110.9° |
C3' | C2' | C1' | 106.0° | 104.2° |
C3' | C2' | H2'1 | 110.7° | 110.5° |
C3' | C2' | H2'2 | 111.4° | 110.5° |
C1' | C2' | H2'1 | 110.6° | 110.5° |
C1' | C2' | H2'2 | 111.4° | 110.5° |
C2' | C1' | N1 | 115.1° | 109.9° |
C2' | C1' | H1' | 106.4° | 109.9° |
H2'1 | C2' | H2'2 | 106.8° | 110.5° |
N1 | C1' | H1' | 109.0° | 110.0° |
C1' | N1 | C2 | 124.0° | 119.9° |
C1' | N1 | C6 | 118.0° | 120.0° |
C2 | N1 | C6 | 117.8° | 120.1° |
N1 | C2 | O2 | 124.8° | 119.5° |
N1 | C2 | N3 | 116.6° | 121.0° |
N1 | C6 | C5 | 125.9° | 119.2° |
N1 | C6 | H6 | 117.1° | 120.3° |
O2 | C2 | N3 | 118.6° | 119.5° |
C2 | N3 | C4 | 119.9° | 120.8° |
N3 | C4 | C5 | 123.6° | 119.8° |
N3 | C4 | H4 | 118.2° | 120.1° |
C5 | C4 | H4 | 118.2° | 120.1° |
C4 | C5 | C5M | 135.9° | 120.5° |
C4 | C5 | C6 | 116.3° | 119.1° |
C5M | C5 | C6 | 107.8° | 120.4° |
C5 | C5M | H5M1 | 109.5° | 109.5° |
C5 | C5M | H5M2 | 109.5° | 109.5° |
C5 | C5M | H5M3 | 109.5° | 109.5° |
C5 | C6 | H6 | 117.0° | 120.4° |
H5M1 | C5M | H5M2 | 109.4° | 109.4° |
H5M1 | C5M | H5M3 | 109.4° | 109.5° |
H5M2 | C5M | H5M3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 141.8° | 129.4° |
O1P | P | O2P | O5' | 109.0° | 120.2° |
O1P | P | O3P | O5' | 122.0° | 120.0° |
O1P | P | O2P | H2P | 180.0° | 40.8° |
O1P | P | O3P | H3P | 100.0° | 180.0° |
O1P | P | O5' | C5' | 17.3° | 55.0° |
O2P | P | O3P | O5' | 99.4° | 96.7° |
O2P | P | O3P | H3P | 38.6° | 36.7° |
O2P | P | O5' | C5' | 92.6° | 167.0° |
O3P | P | O2P | H2P | 38.2° | 88.6° |
O3P | P | O5' | C5' | 145.2° | 64.9° |
O5' | P | O2P | H2P | 71.0° | 160.9° |
O5' | P | O3P | H3P | 138.0° | 60.0° |
P | O5' | C5' | C4' | 142.3° | 179.9° |
P | O5' | C5' | H5'1 | 22.3° | 60.0° |
P | O5' | C5' | H5'2 | 102.2° | 60.0° |
O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
O5' | C5' | C4' | H5'2 | 115.5° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 116.1° | 120.0° |
O5' | C5' | C4' | O4' | 72.7° | 66.4° |
O5' | C5' | C4' | C3' | 48.8° | 179.4° |
O5' | C5' | C4' | H4' | 166.1° | 56.4° |
C4' | C5' | H5'1 | H5'2 | 116.1° | 120.0° |
C5' | C4' | O4' | C3' | 128.4° | 118.5° |
C5' | C4' | O4' | H4' | 113.1° | 122.8° |
C5' | C4' | C3' | H4' | 112.6° | 122.9° |
C5' | C4' | O4' | C1' | 100.3° | 158.6° |
C5' | C4' | C3' | O3' | 145.2° | 86.2° |
C5' | C4' | C3' | C2' | 96.3° | 155.5° |
C5' | C4' | C3' | H3' | 26.8° | 37.3° |
H5'1 | C5' | C4' | O4' | 167.3° | 53.5° |
H5'1 | C5' | C4' | C3' | 71.2° | 60.6° |
H5'1 | C5' | C4' | H4' | 46.2° | 176.4° |
H5'2 | C5' | C4' | O4' | 42.8° | 173.5° |
H5'2 | C5' | C4' | C3' | 164.3° | 59.4° |
H5'2 | C5' | C4' | H4' | 78.3° | 63.6° |
O4' | C4' | C3' | H4' | 121.9° | 118.6° |
O4' | C4' | C3' | O3' | 89.3° | 155.2° |
O4' | C4' | C3' | C2' | 29.3° | 37.0° |
O4' | C4' | C3' | H3' | 152.3° | 81.2° |
C4' | O4' | C1' | C2' | 14.5° | 26.5° |
C4' | O4' | C1' | N1 | 106.7° | 145.9° |
C4' | O4' | C1' | H1' | 133.2° | 92.9° |
C3' | C4' | O4' | C1' | 28.0° | 40.0° |
C4' | C3' | O3' | C2' | 114.5° | 112.8° |
C4' | C3' | O3' | H3' | 122.2° | 123.6° |
C4' | C3' | C2' | H3' | 121.9° | 118.2° |
C4' | C3' | O3' | HA | 166.0° | 179.9° |
C4' | C3' | C2' | C1' | 20.9° | 20.8° |
C4' | C3' | C2' | H2'1 | 99.1° | 139.5° |
C4' | C3' | C2' | H2'2 | 142.2° | 97.9° |
H4' | C4' | O4' | C1' | 146.6° | 78.6° |
H4' | C4' | C3' | O3' | 32.6° | 36.7° |
H4' | C4' | C3' | C2' | 151.2° | 81.6° |
H4' | C4' | C3' | H3' | 85.8° | 160.2° |
O4' | C1' | C2' | C3' | 5.0° | 2.1° |
O4' | C1' | C2' | N1 | 113.1° | 119.4° |
O4' | C1' | C2' | H1' | 126.1° | 119.4° |
O4' | C1' | C2' | H2'1 | 115.0° | 116.6° |
O4' | C1' | C2' | H2'2 | 126.4° | 120.7° |
O4' | C1' | N1 | H1' | 126.0° | 121.1° |
O4' | C1' | N1 | C2 | 46.4° | 53.5° |
O4' | C1' | N1 | C6 | 129.1° | 126.7° |
O3' | C3' | C2' | H3' | 118.3° | 123.5° |
O3' | C3' | C2' | C1' | 98.9° | 139.1° |
O3' | C3' | C2' | H2'1 | 141.1° | 102.2° |
O3' | C3' | C2' | H2'2 | 22.4° | 20.4° |
C2' | C3' | O3' | HA | 51.5° | 67.2° |
C3' | C2' | C1' | H2'1 | 120.0° | 118.7° |
C3' | C2' | C1' | H2'2 | 121.3° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 121.4° | 122.6° |
C3' | C2' | C1' | N1 | 118.1° | 121.5° |
C3' | C2' | C1' | H1' | 121.1° | 117.4° |
H3' | C3' | O3' | HA | 71.7° | 56.4° |
H3' | C3' | C2' | C1' | 142.7° | 97.4° |
H3' | C3' | C2' | H2'1 | 22.7° | 21.3° |
H3' | C3' | C2' | H2'2 | 95.9° | 143.9° |
C1' | C2' | H2'1 | H2'2 | 121.4° | 122.6° |
C2' | C1' | N1 | H1' | 119.4° | 121.1° |
C2' | C1' | N1 | C2 | 161.0° | 64.3° |
C2' | C1' | N1 | C6 | 14.5° | 115.5° |
H2'1 | C2' | C1' | N1 | 1.9° | 2.8° |
H2'1 | C2' | C1' | H1' | 118.9° | 123.9° |
H2'2 | C2' | C1' | N1 | 120.6° | 119.9° |
H2'2 | C2' | C1' | H1' | 0.3° | 1.3° |
C1' | N1 | C2 | C6 | 175.4° | 179.7° |
C1' | N1 | C2 | O2 | 4.6° | 0.0° |
C1' | N1 | C2 | N3 | 177.1° | 180.0° |
C1' | N1 | C6 | C5 | 177.4° | 179.7° |
C1' | N1 | C6 | H6 | 2.6° | 0.0° |
H1' | C1' | N1 | C2 | 79.6° | 174.6° |
H1' | C1' | N1 | C6 | 105.0° | 5.6° |
N1 | C2 | O2 | N3 | 178.2° | 180.0° |
N1 | C2 | N3 | C4 | 1.1° | 0.1° |
C2 | N1 | C6 | C5 | 1.7° | 0.5° |
C2 | N1 | C6 | H6 | 178.3° | 179.8° |
C6 | N1 | C2 | O2 | 180.0° | 179.7° |
C6 | N1 | C2 | N3 | 1.7° | 0.2° |
N1 | C6 | C5 | C4 | 0.9° | 0.5° |
N1 | C6 | C5 | C5M | 179.6° | 179.8° |
N1 | C6 | C5 | H6 | 180.0° | 179.7° |
O2 | C2 | N3 | C4 | 179.5° | 180.0° |
C2 | N3 | C4 | C5 | 0.4° | 0.1° |
C2 | N3 | C4 | H4 | 179.6° | 180.0° |
N3 | C4 | C5 | H4 | 180.0° | 180.0° |
N3 | C4 | C5 | C5M | 178.4° | 180.0° |
N3 | C4 | C5 | C6 | 0.2° | 0.2° |
C4 | C5 | C5M | C6 | 178.3° | 179.7° |
C4 | C5 | C5M | H5M1 | 27.5° | 0.0° |
C4 | C5 | C5M | H5M2 | 147.5° | 120.0° |
C4 | C5 | C5M | H5M3 | 92.5° | 120.0° |
C4 | C5 | C6 | H6 | 179.0° | 179.8° |
H4 | C4 | C5 | C5M | 1.6° | 0.0° |
H4 | C4 | C5 | C6 | 179.8° | 179.7° |
C5 | C5M | H5M1 | H5M2 | 120.0° | 120.0° |
C5 | C5M | H5M1 | H5M3 | 120.0° | 120.0° |
C5 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
C5M | C5 | C6 | H6 | 0.4° | 0.0° |
C6 | C5 | C5M | H5M1 | 150.8° | 179.7° |
C6 | C5 | C5M | H5M2 | 30.8° | 59.7° |
C6 | C5 | C5M | H5M3 | 89.2° | 60.3° |
H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |