U37
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | doub | 1.48Å | 1.47Å | |
P | S | sing | 2.12Å | 1.84Å | |
P | O1P | sing | 1.61Å | 1.61Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
S | HS | sing | 1.34Å | 0.95Å | |
O1P | H1P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HA | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HB | sing | 0.97Å | 0.95Å | |
C1' | N1 | sing | 1.47Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N1 | C2 | sing | 1.34Å | 1.39Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.38Å | |
N3 | C4 | sing | 1.35Å | 1.39Å | |
N3 | H3 | sing | 0.97Å | 1.02Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.43Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3P | P | S | 117.8° | 109.5° |
O3P | P | O1P | 108.3° | 109.4° |
O3P | P | O5' | 108.7° | 109.5° |
S | P | O1P | 107.8° | 109.4° |
S | P | O5' | 110.4° | 109.5° |
P | S | HS | 117.8° | 100.0° |
O1P | P | O5' | 102.8° | 109.5° |
P | O1P | H1P | 108.3° | 106.8° |
P | O5' | C5' | 120.0° | 106.8° |
O5' | C5' | C4' | 110.5° | 109.5° |
O5' | C5' | H5'1 | 111.8° | 109.5° |
O5' | C5' | H5'2 | 111.8° | 109.5° |
C4' | C5' | H5'1 | 111.8° | 109.5° |
C4' | C5' | H5'2 | 111.8° | 109.4° |
C5' | C4' | O4' | 109.3° | 110.3° |
C5' | C4' | C3' | 115.9° | 110.7° |
C5' | C4' | H4' | 109.3° | 110.3° |
H5'1 | C5' | H5'2 | 98.6° | 109.4° |
O4' | C4' | C3' | 103.4° | 104.7° |
O4' | C4' | H4' | 109.3° | 110.4° |
C4' | O4' | C1' | 109.8° | 105.3° |
C3' | C4' | H4' | 109.3° | 110.3° |
C4' | C3' | O3' | 114.9° | 110.5° |
C4' | C3' | C2' | 102.7° | 104.2° |
C4' | C3' | H3' | 109.0° | 110.5° |
O4' | C1' | C2' | 107.3° | 104.8° |
O4' | C1' | N1 | 108.6° | 110.4° |
O4' | C1' | H1' | 110.1° | 110.4° |
O3' | C3' | C2' | 112.2° | 110.5° |
O3' | C3' | H3' | 109.0° | 110.4° |
C3' | O3' | HA | 114.8° | 106.9° |
C2' | C3' | H3' | 109.0° | 110.5° |
C3' | C2' | O2' | 112.7° | 110.5° |
C3' | C2' | C1' | 101.0° | 104.1° |
C3' | C2' | H2' | 110.9° | 110.5° |
O2' | C2' | C1' | 110.1° | 110.7° |
O2' | C2' | H2' | 110.9° | 110.4° |
C2' | O2' | HB | 112.7° | 106.9° |
C1' | C2' | H2' | 110.9° | 110.5° |
C2' | C1' | N1 | 110.5° | 110.4° |
C2' | C1' | H1' | 110.1° | 110.4° |
N1 | C1' | H1' | 110.1° | 110.3° |
C1' | N1 | C2 | 118.4° | 119.7° |
C1' | N1 | C6 | 120.8° | 119.6° |
C2 | N1 | C6 | 120.8° | 120.7° |
N1 | C2 | O2 | 123.1° | 119.5° |
N1 | C2 | N3 | 114.8° | 120.9° |
N1 | C6 | C5 | 122.9° | 119.7° |
N1 | C6 | H6 | 118.6° | 120.2° |
O2 | C2 | N3 | 122.1° | 119.6° |
C2 | N3 | C4 | 127.0° | 120.3° |
C2 | N3 | H3 | 116.5° | 119.9° |
C4 | N3 | H3 | 116.5° | 119.9° |
N3 | C4 | O4 | 119.6° | 120.3° |
N3 | C4 | C5 | 114.6° | 119.4° |
O4 | C4 | C5 | 125.7° | 120.3° |
C4 | C5 | C6 | 119.9° | 119.1° |
C4 | C5 | H5 | 120.0° | 120.4° |
C6 | C5 | H5 | 120.1° | 120.5° |
C5 | C6 | H6 | 118.6° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | S | O1P | 122.9° | 119.9° |
O3P | P | S | O5' | 125.5° | 120.1° |
O3P | P | O1P | O5' | 114.9° | 120.0° |
O3P | P | S | HS | 180.0° | 180.0° |
O3P | P | O1P | H1P | 180.0° | 60.0° |
O3P | P | O5' | C5' | 95.4° | 60.0° |
S | P | O1P | O5' | 116.6° | 120.0° |
S | P | O1P | H1P | 51.5° | 60.0° |
S | P | O5' | C5' | 134.0° | 60.0° |
O1P | P | S | HS | 57.1° | 60.0° |
O1P | P | O5' | C5' | 19.3° | 180.0° |
O5' | P | S | HS | 54.5° | 60.0° |
O5' | P | O1P | H1P | 65.1° | 180.0° |
P | O5' | C5' | C4' | 135.9° | 180.0° |
P | O5' | C5' | H5'1 | 10.6° | 60.0° |
P | O5' | C5' | H5'2 | 98.9° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
O5' | C5' | C4' | O4' | 120.0° | 61.4° |
O5' | C5' | C4' | C3' | 3.7° | 176.9° |
O5' | C5' | C4' | H4' | 120.3° | 60.8° |
C4' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
C5' | C4' | O4' | C3' | 124.1° | 119.2° |
C5' | C4' | O4' | H4' | 119.6° | 122.2° |
C5' | C4' | C3' | H4' | 124.0° | 122.4° |
C5' | C4' | O4' | C1' | 145.3° | 159.5° |
C5' | C4' | C3' | O3' | 81.3° | 98.5° |
C5' | C4' | C3' | C2' | 156.7° | 142.7° |
C5' | C4' | C3' | H3' | 41.3° | 24.0° |
H5'1 | C5' | C4' | O4' | 5.2° | 178.6° |
H5'1 | C5' | C4' | C3' | 121.6° | 63.1° |
H5'1 | C5' | C4' | H4' | 114.4° | 59.2° |
H5'2 | C5' | C4' | O4' | 114.7° | 58.6° |
H5'2 | C5' | C4' | C3' | 128.9° | 56.8° |
H5'2 | C5' | C4' | H4' | 4.9° | 179.2° |
O4' | C4' | C3' | H4' | 116.4° | 118.7° |
O4' | C4' | C3' | O3' | 159.1° | 142.6° |
O4' | C4' | C3' | C2' | 37.1° | 23.8° |
O4' | C4' | C3' | H3' | 78.4° | 94.9° |
C4' | O4' | C1' | C2' | 3.3° | 40.4° |
C4' | O4' | C1' | N1 | 116.2° | 159.3° |
C4' | O4' | C1' | H1' | 123.1° | 78.5° |
C3' | C4' | O4' | C1' | 21.2° | 40.3° |
C4' | C3' | O3' | C2' | 116.7° | 114.9° |
C4' | C3' | O3' | H3' | 122.5° | 122.6° |
C4' | C3' | C2' | H3' | 115.4° | 118.7° |
C4' | C3' | O3' | HA | 180.0° | 178.2° |
C4' | C3' | C2' | O2' | 79.4° | 118.9° |
C4' | C3' | C2' | C1' | 38.1° | 0.1° |
C4' | C3' | C2' | H2' | 155.6° | 118.6° |
H4' | C4' | O4' | C1' | 95.1° | 78.3° |
H4' | C4' | C3' | O3' | 42.7° | 23.9° |
H4' | C4' | C3' | C2' | 79.3° | 94.9° |
H4' | C4' | C3' | H3' | 165.3° | 146.4° |
O4' | C1' | C2' | C3' | 26.1° | 24.0° |
O4' | C1' | C2' | O2' | 93.3° | 142.7° |
O4' | C1' | C2' | N1 | 118.2° | 118.9° |
O4' | C1' | C2' | H1' | 119.9° | 118.9° |
O4' | C1' | C2' | H2' | 143.6° | 94.6° |
O4' | C1' | N1 | H1' | 120.6° | 122.3° |
O4' | C1' | N1 | C2 | 136.2° | 55.2° |
O4' | C1' | N1 | C6 | 43.9° | 124.6° |
O3' | C3' | C2' | H3' | 120.8° | 122.6° |
O3' | C3' | C2' | O2' | 44.4° | 0.2° |
O3' | C3' | C2' | C1' | 161.9° | 118.7° |
O3' | C3' | C2' | H2' | 80.6° | 122.7° |
C2' | C3' | O3' | HA | 63.3° | 63.3° |
C3' | C2' | O2' | C1' | 112.0° | 114.7° |
C3' | C2' | O2' | H2' | 125.0° | 122.6° |
C3' | C2' | C1' | H2' | 117.6° | 118.7° |
C3' | C2' | O2' | HB | 180.0° | 61.4° |
C3' | C2' | C1' | N1 | 92.2° | 142.9° |
C3' | C2' | C1' | H1' | 145.9° | 94.8° |
H3' | C3' | O3' | HA | 57.4° | 59.3° |
H3' | C3' | C2' | O2' | 165.2° | 122.4° |
H3' | C3' | C2' | C1' | 77.3° | 118.8° |
H3' | C3' | C2' | H2' | 40.2° | 0.1° |
O2' | C2' | C1' | H2' | 123.1° | 122.7° |
O2' | C2' | C1' | N1 | 148.5° | 98.4° |
O2' | C2' | C1' | H1' | 26.6° | 23.8° |
C1' | C2' | O2' | HB | 68.1° | 176.1° |
C2' | C1' | N1 | H1' | 121.9° | 122.3° |
C2' | C1' | N1 | C2 | 106.4° | 60.3° |
C2' | C1' | N1 | C6 | 73.6° | 120.0° |
H2' | C2' | O2' | HB | 55.0° | 61.1° |
H2' | C2' | C1' | N1 | 25.4° | 24.3° |
H2' | C2' | C1' | H1' | 96.5° | 146.5° |
C1' | N1 | C2 | C6 | 180.0° | 179.8° |
C1' | N1 | C2 | O2 | 1.2° | 0.2° |
C1' | N1 | C2 | N3 | 179.3° | 179.7° |
C1' | N1 | C6 | C5 | 179.7° | 180.0° |
C1' | N1 | C6 | H6 | 0.3° | 0.0° |
H1' | C1' | N1 | C2 | 15.6° | 177.5° |
H1' | C1' | N1 | C6 | 164.5° | 2.3° |
N1 | C2 | O2 | N3 | 179.5° | 179.5° |
N1 | C2 | N3 | C4 | 0.4° | 0.5° |
N1 | C2 | N3 | H3 | 179.6° | 179.8° |
C2 | N1 | C6 | C5 | 0.4° | 0.2° |
C2 | N1 | C6 | H6 | 179.7° | 179.8° |
C6 | N1 | C2 | O2 | 178.8° | 180.0° |
C6 | N1 | C2 | N3 | 0.7° | 0.5° |
N1 | C6 | C5 | C4 | 0.4° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | H5 | 179.7° | 180.0° |
O2 | C2 | N3 | C4 | 179.1° | 179.9° |
O2 | C2 | N3 | H3 | 0.9° | 0.2° |
C2 | N3 | C4 | H3 | 180.0° | 179.7° |
C2 | N3 | C4 | O4 | 179.4° | 179.7° |
C2 | N3 | C4 | C5 | 0.2° | 0.3° |
N3 | C4 | O4 | C5 | 179.6° | 179.9° |
N3 | C4 | C5 | C6 | 0.6° | 0.1° |
N3 | C4 | C5 | H5 | 179.4° | 179.9° |
H3 | N3 | C4 | O4 | 0.6° | 0.1° |
H3 | N3 | C4 | C5 | 179.7° | 180.0° |
O4 | C4 | C5 | C6 | 179.0° | 180.0° |
O4 | C4 | C5 | H5 | 1.0° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.6° | 180.0° |
H5 | C5 | C6 | H6 | 0.4° | 0.0° |