T48
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | sing | 1.61Å | 1.49Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
P | O1P | doub | 1.48Å | 1.47Å | |
P | O2P | sing | 1.61Å | 1.55Å | |
P | O5' | sing | 1.61Å | 1.57Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C4' | C | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C3' | O3' | sing | 1.43Å | 1.38Å | |
C3' | C2' | sing | 1.54Å | 1.49Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.55Å | 1.48Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C1' | N1 | sing | 1.46Å | 1.45Å | |
C1' | C | sing | 1.55Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N1 | C2 | sing | 1.34Å | 1.40Å | |
N1 | C6 | sing | 1.37Å | 1.37Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
C2 | N3 | sing | 1.35Å | 1.38Å | |
N3 | C4 | sing | 1.35Å | 1.36Å | |
N3 | H3 | sing | 0.97Å | 1.02Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.41Å | 1.45Å | |
C5 | C5M | sing | 1.51Å | 1.52Å | |
C5 | C6 | doub | 1.35Å | 1.33Å | |
C5M | H5M1 | sing | 1.09Å | 1.11Å | |
C5M | H5M2 | sing | 1.09Å | 1.11Å | |
C5M | H5M3 | sing | 1.09Å | 1.12Å | |
C | O | sing | 1.43Å | 1.45Å | |
C | H | sing | 1.09Å | 1.11Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
O | HB | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3P | H3P | 122.2° | 106.8° |
O3P | P | O1P | 122.2° | 109.5° |
O3P | P | O2P | 107.8° | 109.5° |
O3P | P | O5' | 107.3° | 109.5° |
O1P | P | O2P | 111.0° | 109.5° |
O1P | P | O5' | 107.9° | 109.4° |
O2P | P | O5' | 97.9° | 109.5° |
P | O2P | H2P | 107.8° | 106.8° |
P | O5' | C5' | 121.7° | 106.9° |
O5' | C5' | C4' | 109.3° | 109.6° |
O5' | C5' | H5'1 | 112.3° | 109.5° |
O5' | C5' | H5'2 | 112.3° | 109.5° |
C4' | C5' | H5'1 | 112.3° | 109.5° |
C4' | C5' | H5'2 | 112.3° | 109.5° |
C5' | C4' | C3' | 111.4° | 110.0° |
C5' | C4' | C | 108.0° | 110.2° |
C5' | C4' | H4' | 111.0° | 110.0° |
H5'1 | C5' | H5'2 | 98.1° | 109.4° |
C3' | C4' | C | 104.3° | 106.7° |
C3' | C4' | H4' | 111.0° | 110.0° |
C4' | C3' | O3' | 108.2° | 110.1° |
C4' | C3' | C2' | 105.4° | 106.6° |
C4' | C3' | H3' | 113.4° | 110.0° |
C | C4' | H4' | 111.0° | 109.9° |
C4' | C | C1' | 103.3° | 104.1° |
C4' | C | O | 113.9° | 110.5° |
C4' | C | H | 107.3° | 110.5° |
O3' | C3' | C2' | 102.3° | 110.0° |
O3' | C3' | H3' | 113.3° | 110.0° |
C3' | O3' | HA | 108.2° | 106.8° |
C2' | C3' | H3' | 113.3° | 110.0° |
C3' | C2' | C1' | 100.9° | 104.2° |
C3' | C2' | H2'1 | 115.5° | 110.5° |
C3' | C2' | H2'2 | 115.5° | 110.5° |
C1' | C2' | H2'1 | 115.5° | 110.5° |
C1' | C2' | H2'2 | 115.5° | 110.4° |
C2' | C1' | N1 | 112.6° | 110.9° |
C2' | C1' | C | 103.0° | 102.9° |
C2' | C1' | H1' | 109.6° | 110.8° |
H2'1 | C2' | H2'2 | 95.0° | 110.5° |
N1 | C1' | C | 112.3° | 110.7° |
N1 | C1' | H1' | 109.6° | 110.6° |
C1' | N1 | C2 | 114.5° | 119.7° |
C1' | N1 | C6 | 123.1° | 119.8° |
C | C1' | H1' | 109.6° | 110.7° |
C1' | C | O | 117.1° | 110.9° |
C1' | C | H | 107.3° | 110.2° |
C2 | N1 | C6 | 122.4° | 120.5° |
N1 | C2 | O2 | 123.0° | 119.5° |
N1 | C2 | N3 | 115.7° | 121.0° |
N1 | C6 | C5 | 119.9° | 119.7° |
N1 | C6 | H6 | 120.1° | 120.1° |
O2 | C2 | N3 | 121.3° | 119.5° |
C2 | N3 | C4 | 125.2° | 120.3° |
C2 | N3 | H3 | 117.4° | 119.9° |
C4 | N3 | H3 | 117.4° | 119.8° |
N3 | C4 | O4 | 118.0° | 120.3° |
N3 | C4 | C5 | 115.0° | 119.3° |
O4 | C4 | C5 | 127.0° | 120.3° |
C4 | C5 | C5M | 118.9° | 120.4° |
C4 | C5 | C6 | 121.9° | 119.1° |
C5M | C5 | C6 | 119.3° | 120.4° |
C5 | C5M | H5M1 | 119.3° | 109.5° |
C5 | C5M | H5M2 | 108.7° | 109.5° |
C5 | C5M | H5M3 | 108.7° | 109.4° |
C5 | C6 | H6 | 120.1° | 120.2° |
H5M1 | C5M | H5M2 | 108.7° | 109.5° |
H5M1 | C5M | H5M3 | 108.7° | 109.4° |
H5M2 | C5M | H5M3 | 101.3° | 109.5° |
O | C | H | 107.4° | 110.5° |
C | O | HB | 113.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 128.9° | 120.0° |
O3P | P | O1P | O5' | 124.9° | 120.0° |
O3P | P | O2P | O5' | 111.1° | 120.0° |
O3P | P | O2P | H2P | 180.0° | 60.0° |
O3P | P | O5' | C5' | 169.0° | 180.0° |
H3P | O3P | P | O1P | 180.0° | 60.0° |
H3P | O3P | P | O2P | 49.8° | 60.0° |
H3P | O3P | P | O5' | 54.8° | 180.0° |
O1P | P | O2P | O5' | 112.7° | 119.9° |
O1P | P | O2P | H2P | 43.7° | 180.0° |
O1P | P | O5' | C5' | 35.6° | 60.0° |
O2P | P | O5' | C5' | 79.5° | 60.0° |
O5' | P | O2P | H2P | 68.9° | 60.0° |
P | O5' | C5' | C4' | 171.4° | 180.0° |
P | O5' | C5' | H5'1 | 46.1° | 60.0° |
P | O5' | C5' | H5'2 | 63.4° | 59.9° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 119.9° |
O5' | C5' | C4' | C3' | 56.2° | 61.4° |
O5' | C5' | C4' | C | 57.8° | 178.8° |
O5' | C5' | C4' | H4' | 179.6° | 59.9° |
C4' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
C5' | C4' | C3' | C | 116.2° | 119.5° |
C5' | C4' | C3' | H4' | 124.2° | 121.3° |
C5' | C4' | C | H4' | 121.8° | 121.3° |
C5' | C4' | C3' | O3' | 146.7° | 121.3° |
C5' | C4' | C3' | C2' | 104.5° | 119.4° |
C5' | C4' | C3' | H3' | 20.0° | 0.1° |
C5' | C4' | C | C1' | 136.0° | 142.8° |
C5' | C4' | C | O | 95.9° | 98.2° |
C5' | C4' | C | H | 22.8° | 24.4° |
H5'1 | C5' | C4' | C3' | 178.6° | 58.6° |
H5'1 | C5' | C4' | C | 67.5° | 58.8° |
H5'1 | C5' | C4' | H4' | 54.3° | 180.0° |
H5'2 | C5' | C4' | C3' | 69.1° | 178.5° |
H5'2 | C5' | C4' | C | 177.0° | 61.1° |
H5'2 | C5' | C4' | H4' | 55.1° | 60.1° |
C3' | C4' | C | H4' | 119.6° | 119.2° |
C4' | C3' | O3' | C2' | 111.0° | 117.2° |
C4' | C3' | O3' | H3' | 126.6° | 121.4° |
C4' | C3' | C2' | H3' | 124.6° | 119.3° |
C4' | C3' | O3' | HA | 180.0° | 178.6° |
C4' | C3' | C2' | C1' | 36.8° | 23.6° |
C4' | C3' | C2' | H2'1 | 162.0° | 142.3° |
C4' | C3' | C2' | H2'2 | 88.5° | 95.0° |
C3' | C4' | C | C1' | 17.4° | 23.3° |
C3' | C4' | C | O | 145.5° | 142.4° |
C3' | C4' | C | H | 95.8° | 95.0° |
C | C4' | C3' | O3' | 97.1° | 119.2° |
C | C4' | C3' | C2' | 11.7° | 0.1° |
C | C4' | C3' | H3' | 136.3° | 119.4° |
C4' | C | C1' | C2' | 41.1° | 37.7° |
C4' | C | C1' | N1 | 162.5° | 156.2° |
C4' | C | C1' | O | 126.1° | 118.8° |
C4' | C | C1' | H | 113.2° | 118.5° |
C4' | C | C1' | H1' | 75.5° | 80.7° |
C4' | C | O | H | 118.7° | 122.6° |
C4' | C | O | HB | 180.0° | 179.9° |
H4' | C4' | C3' | O3' | 22.5° | 0.0° |
H4' | C4' | C3' | C2' | 131.3° | 119.3° |
H4' | C4' | C3' | H3' | 104.2° | 121.4° |
H4' | C4' | C | C1' | 102.2° | 95.9° |
H4' | C4' | C | O | 25.9° | 23.2° |
H4' | C4' | C | H | 144.6° | 145.8° |
O3' | C3' | C2' | H3' | 122.4° | 121.3° |
O3' | C3' | C2' | C1' | 76.3° | 95.8° |
O3' | C3' | C2' | H2'1 | 48.9° | 22.9° |
O3' | C3' | C2' | H2'2 | 158.4° | 145.6° |
C2' | C3' | O3' | HA | 69.0° | 61.4° |
C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
C3' | C2' | H2'1 | H2'2 | 121.3° | 122.7° |
C3' | C2' | C1' | N1 | 169.4° | 156.2° |
C3' | C2' | C1' | C | 48.3° | 37.8° |
C3' | C2' | C1' | H1' | 68.3° | 80.6° |
H3' | C3' | O3' | HA | 53.4° | 60.0° |
H3' | C3' | C2' | C1' | 161.3° | 142.9° |
H3' | C3' | C2' | H2'1 | 73.4° | 98.4° |
H3' | C3' | C2' | H2'2 | 36.1° | 24.3° |
C1' | C2' | H2'1 | H2'2 | 121.3° | 122.5° |
C2' | C1' | N1 | C | 115.7° | 113.5° |
C2' | C1' | N1 | H1' | 122.3° | 123.3° |
C2' | C1' | C | H1' | 116.6° | 118.4° |
C2' | C1' | N1 | C2 | 137.1° | 55.9° |
C2' | C1' | N1 | C6 | 43.1° | 123.9° |
C2' | C1' | C | O | 167.2° | 156.5° |
C2' | C1' | C | H | 72.1° | 80.9° |
H2'1 | C2' | C1' | N1 | 65.3° | 85.0° |
H2'1 | C2' | C1' | C | 173.6° | 156.6° |
H2'1 | C2' | C1' | H1' | 57.0° | 38.2° |
H2'2 | C2' | C1' | N1 | 44.2° | 37.5° |
H2'2 | C2' | C1' | C | 77.0° | 80.9° |
H2'2 | C2' | C1' | H1' | 166.4° | 160.7° |
N1 | C1' | C | H1' | 122.1° | 123.1° |
C1' | N1 | C2 | C6 | 179.8° | 179.8° |
C1' | N1 | C2 | O2 | 1.8° | 0.1° |
C1' | N1 | C2 | N3 | 179.8° | 179.9° |
C1' | N1 | C6 | C5 | 179.7° | 179.9° |
N1 | C1' | C | O | 71.5° | 85.0° |
N1 | C1' | C | H | 49.2° | 37.6° |
C1' | N1 | C6 | H6 | 0.3° | 0.2° |
C | C1' | N1 | C2 | 107.2° | 57.6° |
C | C1' | N1 | C6 | 72.6° | 122.6° |
C1' | C | O | H | 120.7° | 122.5° |
C1' | C | O | HB | 59.4° | 65.1° |
H1' | C1' | N1 | C2 | 14.8° | 179.2° |
H1' | C1' | N1 | C6 | 165.4° | 0.6° |
H1' | C1' | C | O | 50.6° | 38.1° |
H1' | C1' | C | H | 171.3° | 160.7° |
N1 | C2 | O2 | N3 | 178.3° | 180.0° |
N1 | C2 | N3 | C4 | 0.2° | 0.2° |
N1 | C2 | N3 | H3 | 179.8° | 179.9° |
C2 | N1 | C6 | C5 | 0.0° | 0.1° |
C2 | N1 | C6 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 178.4° | 179.9° |
C6 | N1 | C2 | N3 | 0.0° | 0.1° |
N1 | C6 | C5 | C4 | 0.0° | 0.3° |
N1 | C6 | C5 | C5M | 178.7° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
O2 | C2 | N3 | C4 | 178.6° | 179.8° |
O2 | C2 | N3 | H3 | 1.4° | 0.0° |
C2 | N3 | C4 | H3 | 180.0° | 179.8° |
C2 | N3 | C4 | O4 | 178.8° | 180.0° |
C2 | N3 | C4 | C5 | 0.3° | 0.4° |
N3 | C4 | O4 | C5 | 178.9° | 179.6° |
N3 | C4 | C5 | C5M | 178.9° | 179.9° |
N3 | C4 | C5 | C6 | 0.2° | 0.4° |
H3 | N3 | C4 | O4 | 1.2° | 0.2° |
H3 | N3 | C4 | C5 | 179.7° | 179.8° |
O4 | C4 | C5 | C5M | 0.1° | 0.2° |
O4 | C4 | C5 | C6 | 178.8° | 179.9° |
C4 | C5 | C5M | C6 | 178.7° | 179.7° |
C4 | C5 | C5M | H5M1 | 1.3° | 0.3° |
C4 | C5 | C5M | H5M2 | 126.5° | 119.8° |
C4 | C5 | C5M | H5M3 | 124.0° | 120.3° |
C4 | C5 | C6 | H6 | 180.0° | 179.8° |
C5 | C5M | H5M1 | H5M2 | 125.2° | 120.1° |
C5 | C5M | H5M1 | H5M3 | 125.3° | 120.0° |
C5 | C5M | H5M2 | H5M3 | 114.4° | 120.0° |
C5M | C5 | C6 | H6 | 1.3° | 0.1° |
C6 | C5 | C5M | H5M1 | 180.0° | 180.0° |
C6 | C5 | C5M | H5M2 | 54.8° | 60.0° |
C6 | C5 | C5M | H5M3 | 54.7° | 60.0° |
H5M1 | C5M | H5M2 | H5M3 | 114.4° | 120.0° |
H | C | O | HB | 61.3° | 57.4° |