RPL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | doub | 1.48Å | 1.45Å | |
O2P | P | sing | 1.61Å | 1.49Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O3P | P | sing | 1.61Å | 1.45Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å | |
P | O5' | sing | 1.61Å | 1.62Å | |
O5' | C5' | sing | 1.43Å | 1.41Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | C3' | sing | 1.55Å | 1.51Å | |
C4' | H4 | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.42Å | 1.47Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.55Å | |
C3' | H3 | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.54Å | 1.56Å | |
C2' | H2 | sing | 1.09Å | 1.12Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N1 | sing | 1.47Å | 1.36Å | |
C1' | C4 | sing | 1.51Å | 1.44Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | O2 | doub | 1.22Å | 1.18Å | |
C2 | N3 | sing | 1.34Å | 1.39Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
N3 | C5A | sing | 1.46Å | 1.47Å | |
C4 | O4 | doub | 1.21Å | 1.23Å | |
C5A | C6A | sing | 1.53Å | 1.54Å | |
C5A | H51 | sing | 1.09Å | 1.11Å | |
C5A | H52 | sing | 1.09Å | 1.11Å | |
C6A | C7A | sing | 1.53Å | 1.55Å | |
C6A | H61 | sing | 1.09Å | 1.11Å | |
C6A | H62 | sing | 1.09Å | 1.12Å | |
C7A | C8A | sing | 1.53Å | 1.56Å | |
C7A | H71 | sing | 1.09Å | 1.12Å | |
C7A | H72 | sing | 1.09Å | 1.11Å | |
C8A | C9A | sing | 1.51Å | 1.53Å | |
C8A | NAA | sing | 1.47Å | 1.52Å | |
C8A | H81 | sing | 1.09Å | 1.12Å | |
C9A | OJA | sing | 1.34Å | 1.35Å | |
C9A | OKA | doub | 1.21Å | 1.35Å | |
OJA | H91 | sing | 0.97Å | 0.95Å | |
NAA | OAA | sing | 1.46Å | 1.46Å | |
NAA | CBA | sing | 1.47Å | 1.46Å | |
OAA | H10 | sing | 0.97Å | 0.95Å | |
CBA | OBA | sing | 1.43Å | 1.43Å | |
CBA | H111 | sing | 1.09Å | 1.11Å | |
CBA | H112 | sing | 1.09Å | 1.12Å | |
OBA | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 108.5° | 109.5° |
O1P | P | O3P | 109.7° | 109.5° |
O1P | P | O5' | 108.6° | 109.4° |
P | O2P | HO2P | 108.5° | 106.9° |
O2P | P | O3P | 110.0° | 109.4° |
O2P | P | O5' | 108.1° | 109.5° |
P | O3P | HO3P | 109.7° | 106.8° |
O3P | P | O5' | 111.9° | 109.5° |
P | O5' | C5' | 123.9° | 106.8° |
O5' | C5' | C4' | 111.4° | 109.5° |
O5' | C5' | H5'1 | 111.5° | 109.5° |
O5' | C5' | H5'2 | 111.4° | 109.5° |
C4' | C5' | H5'1 | 111.5° | 109.5° |
C4' | C5' | H5'2 | 111.5° | 109.4° |
C5' | C4' | O4' | 110.6° | 110.3° |
C5' | C4' | C3' | 113.8° | 110.4° |
C5' | C4' | H4 | 104.2° | 110.2° |
H5'1 | C5' | H5'2 | 98.9° | 109.4° |
O4' | C4' | C3' | 104.4° | 105.2° |
O4' | C4' | H4 | 113.7° | 110.3° |
C4' | O4' | C1' | 113.3° | 109.6° |
C3' | C4' | H4 | 110.5° | 110.3° |
C4' | C3' | O3' | 110.5° | 111.1° |
C4' | C3' | C2' | 100.3° | 101.0° |
C4' | C3' | H3 | 114.7° | 111.2° |
O4' | C1' | C2' | 101.3° | 108.4° |
O4' | C1' | N1 | 109.7° | 111.5° |
O4' | C1' | C4 | 117.4° | 111.3° |
O3' | C3' | C2' | 109.8° | 111.1° |
O3' | C3' | H3 | 106.1° | 111.0° |
C3' | O3' | HO3' | 110.5° | 106.8° |
C2' | C3' | H3 | 115.4° | 111.1° |
C3' | C2' | O2' | 108.3° | 110.9° |
C3' | C2' | C1' | 104.8° | 102.0° |
C3' | C2' | H2 | 113.5° | 110.9° |
O2' | C2' | C1' | 110.3° | 111.0° |
O2' | C2' | H2 | 108.3° | 110.8° |
C2' | O2' | HO2' | 108.3° | 106.8° |
C1' | C2' | H2 | 111.6° | 110.9° |
C2' | C1' | N1 | 107.4° | 110.6° |
C2' | C1' | C4 | 116.3° | 110.8° |
N1 | C1' | C4 | 104.3° | 104.3° |
C1' | N1 | C2 | 110.7° | 106.3° |
C1' | N1 | HN1 | 111.8° | 126.9° |
C1' | C4 | N3 | 110.3° | 105.4° |
C1' | C4 | O4 | 129.5° | 127.3° |
C2 | N1 | HN1 | 111.8° | 126.8° |
N1 | C2 | O2 | 124.0° | 123.8° |
N1 | C2 | N3 | 108.9° | 112.4° |
O2 | C2 | N3 | 127.1° | 123.8° |
C2 | N3 | C4 | 105.8° | 111.6° |
C2 | N3 | C5A | 128.2° | 124.2° |
C4 | N3 | C5A | 126.1° | 124.2° |
N3 | C4 | O4 | 120.3° | 127.3° |
N3 | C5A | C6A | 110.0° | 109.5° |
N3 | C5A | H51 | 112.0° | 109.5° |
N3 | C5A | H52 | 112.0° | 109.4° |
C6A | C5A | H51 | 112.0° | 109.5° |
C6A | C5A | H52 | 112.0° | 109.5° |
C5A | C6A | C7A | 111.7° | 109.5° |
C5A | C6A | H61 | 111.4° | 109.5° |
C5A | C6A | H62 | 111.4° | 109.5° |
H51 | C5A | H52 | 98.4° | 109.4° |
C7A | C6A | H61 | 111.4° | 109.4° |
C7A | C6A | H62 | 111.4° | 109.4° |
C6A | C7A | C8A | 109.9° | 109.5° |
C6A | C7A | H71 | 112.1° | 109.5° |
C6A | C7A | H72 | 112.1° | 109.4° |
H61 | C6A | H62 | 98.9° | 109.5° |
C8A | C7A | H71 | 112.0° | 109.5° |
C8A | C7A | H72 | 112.1° | 109.5° |
C7A | C8A | C9A | 111.1° | 109.5° |
C7A | C8A | NAA | 112.4° | 109.4° |
C7A | C8A | H81 | 105.4° | 109.5° |
H71 | C7A | H72 | 98.3° | 109.4° |
C9A | C8A | NAA | 106.6° | 109.4° |
C9A | C8A | H81 | 111.3° | 109.5° |
C8A | C9A | OJA | 119.0° | 120.0° |
C8A | C9A | OKA | 121.2° | 120.0° |
NAA | C8A | H81 | 110.1° | 109.6° |
C8A | NAA | OAA | 110.1° | 106.8° |
C8A | NAA | CBA | 111.1° | 106.7° |
OJA | C9A | OKA | 119.8° | 119.9° |
C9A | OJA | H91 | 119.0° | 120.1° |
OAA | NAA | CBA | 109.5° | 106.7° |
NAA | OAA | H10 | 110.0° | 106.8° |
NAA | CBA | OBA | 111.7° | 109.5° |
NAA | CBA | H111 | 111.4° | 109.5° |
NAA | CBA | H112 | 111.4° | 109.4° |
OBA | CBA | H111 | 111.4° | 109.5° |
OBA | CBA | H112 | 111.4° | 109.5° |
CBA | OBA | H11 | 111.7° | 106.8° |
H111 | CBA | H112 | 98.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 119.9° | 120.0° |
O1P | P | O2P | O5' | 117.6° | 120.0° |
O1P | P | O2P | HO2P | 179.9° | 60.0° |
O1P | P | O3P | O5' | 120.6° | 120.0° |
O1P | P | O3P | HO3P | 180.0° | 179.9° |
O1P | P | O5' | C5' | 47.9° | 60.0° |
O2P | P | O3P | O5' | 120.2° | 120.0° |
O2P | P | O3P | HO3P | 60.8° | 60.1° |
O2P | P | O5' | C5' | 69.6° | 180.0° |
HO2P | O2P | P | O3P | 60.0° | 60.0° |
HO2P | O2P | P | O5' | 62.5° | 179.9° |
O3P | P | O5' | C5' | 169.1° | 60.0° |
HO3P | O3P | P | O5' | 59.4° | 60.0° |
P | O5' | C5' | C4' | 139.2° | 180.0° |
P | O5' | C5' | H5'1 | 95.5° | 59.9° |
P | O5' | C5' | H5'2 | 13.9° | 60.1° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
O5' | C5' | C4' | O4' | 70.9° | 61.4° |
O5' | C5' | C4' | C3' | 46.1° | 177.2° |
O5' | C5' | C4' | H4 | 166.6° | 60.7° |
C4' | C5' | H5'1 | H5'2 | 117.5° | 119.9° |
C5' | C4' | O4' | C3' | 122.7° | 119.0° |
C5' | C4' | O4' | H4 | 116.8° | 122.0° |
C5' | C4' | C3' | H4 | 116.8° | 122.1° |
C5' | C4' | O4' | C1' | 97.4° | 143.4° |
C5' | C4' | C3' | O3' | 161.4° | 87.0° |
C5' | C4' | C3' | C2' | 82.8° | 155.1° |
C5' | C4' | C3' | H3 | 41.5° | 37.1° |
H5'1 | C5' | C4' | O4' | 163.8° | 178.5° |
H5'1 | C5' | C4' | C3' | 79.1° | 62.7° |
H5'1 | C5' | C4' | H4 | 41.3° | 59.4° |
H5'2 | C5' | C4' | O4' | 54.3° | 58.5° |
H5'2 | C5' | C4' | C3' | 171.4° | 57.3° |
H5'2 | C5' | C4' | H4 | 68.2° | 179.4° |
O4' | C4' | C3' | H4 | 122.6° | 119.0° |
O4' | C4' | C3' | O3' | 78.0° | 154.0° |
O4' | C4' | C3' | C2' | 37.8° | 36.1° |
O4' | C4' | C3' | H3 | 162.1° | 81.9° |
C4' | O4' | C1' | C2' | 1.0° | 1.9° |
C4' | O4' | C1' | N1 | 112.3° | 123.9° |
C4' | O4' | C1' | C4 | 128.9° | 120.1° |
C3' | C4' | O4' | C1' | 25.4° | 24.4° |
C4' | C3' | O3' | C2' | 109.8° | 111.6° |
C4' | C3' | O3' | H3 | 124.9° | 124.2° |
C4' | C3' | C2' | H3 | 123.8° | 118.0° |
C4' | C3' | O3' | HO3' | 180.0° | 61.5° |
C4' | C3' | C2' | O2' | 155.3° | 84.6° |
C4' | C3' | C2' | C1' | 37.6° | 33.6° |
C4' | C3' | C2' | H2 | 84.4° | 151.8° |
H4 | C4' | O4' | C1' | 145.9° | 94.6° |
H4 | C4' | C3' | O3' | 44.6° | 35.1° |
H4 | C4' | C3' | C2' | 160.4° | 82.9° |
H4 | C4' | C3' | H3 | 75.3° | 159.2° |
O4' | C1' | C2' | C3' | 23.2° | 20.9° |
O4' | C1' | C2' | O2' | 139.5° | 97.3° |
O4' | C1' | C2' | N1 | 115.1° | 122.5° |
O4' | C1' | C2' | C4 | 128.6° | 122.4° |
O4' | C1' | C2' | H2 | 100.0° | 139.1° |
O4' | C1' | N1 | C4 | 126.7° | 120.2° |
O4' | C1' | N1 | C2 | 126.5° | 120.4° |
O4' | C1' | N1 | HN1 | 108.2° | 59.6° |
O4' | C1' | C4 | N3 | 121.3° | 120.6° |
O4' | C1' | C4 | O4 | 58.4° | 59.6° |
O3' | C3' | C2' | H3 | 119.8° | 124.1° |
O3' | C3' | C2' | O2' | 38.9° | 33.3° |
O3' | C3' | C2' | C1' | 78.8° | 151.5° |
O3' | C3' | C2' | H2 | 159.2° | 90.3° |
C2' | C3' | O3' | HO3' | 70.2° | 173.1° |
C3' | C2' | O2' | C1' | 114.1° | 112.6° |
C3' | C2' | O2' | H2 | 123.5° | 123.7° |
C3' | C2' | C1' | H2 | 123.2° | 118.2° |
C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
C3' | C2' | C1' | N1 | 138.3° | 101.6° |
C3' | C2' | C1' | C4 | 105.4° | 143.3° |
H3 | C3' | O3' | HO3' | 55.1° | 62.7° |
H3 | C3' | C2' | O2' | 80.9° | 157.4° |
H3 | C3' | C2' | C1' | 161.4° | 84.4° |
H3 | C3' | C2' | H2 | 39.4° | 33.8° |
O2' | C2' | C1' | H2 | 120.4° | 123.6° |
O2' | C2' | C1' | N1 | 105.4° | 140.2° |
O2' | C2' | C1' | C4 | 11.0° | 25.1° |
C1' | C2' | O2' | HO2' | 65.9° | 174.1° |
C2' | C1' | N1 | C4 | 124.0° | 119.1° |
C2' | C1' | N1 | C2 | 124.2° | 119.0° |
C2' | C1' | N1 | HN1 | 1.1° | 61.1° |
C2' | C1' | C4 | N3 | 118.4° | 118.8° |
C2' | C1' | C4 | O4 | 61.9° | 61.0° |
H2 | C2' | O2' | HO2' | 56.5° | 62.2° |
H2 | C2' | C1' | N1 | 15.0° | 16.6° |
H2 | C2' | C1' | C4 | 131.4° | 98.5° |
C1' | N1 | C2 | HN1 | 125.3° | 180.0° |
C1' | N1 | C2 | O2 | 179.7° | 180.0° |
C1' | N1 | C2 | N3 | 0.1° | 0.0° |
N1 | C1' | C4 | N3 | 0.4° | 0.3° |
N1 | C1' | C4 | O4 | 179.9° | 179.9° |
C4 | C1' | N1 | C2 | 0.2° | 0.2° |
C4 | C1' | N1 | HN1 | 125.1° | 179.8° |
C1' | C4 | N3 | C2 | 0.5° | 0.3° |
C1' | C4 | N3 | O4 | 179.7° | 179.8° |
C1' | C4 | N3 | C5A | 179.8° | 179.9° |
N1 | C2 | O2 | N3 | 179.5° | 180.0° |
N1 | C2 | N3 | C4 | 0.4° | 0.2° |
N1 | C2 | N3 | C5A | 179.7° | 180.0° |
HN1 | N1 | C2 | O2 | 55.0° | 0.0° |
HN1 | N1 | C2 | N3 | 125.4° | 180.0° |
O2 | C2 | N3 | C4 | 179.9° | 179.7° |
O2 | C2 | N3 | C5A | 0.7° | 0.1° |
C2 | N3 | C4 | C5A | 179.3° | 179.8° |
C2 | N3 | C4 | O4 | 179.8° | 179.9° |
C2 | N3 | C5A | C6A | 53.6° | 90.0° |
C2 | N3 | C5A | H51 | 178.9° | 30.1° |
C2 | N3 | C5A | H52 | 71.6° | 150.0° |
C4 | N3 | C5A | C6A | 125.6° | 90.2° |
C4 | N3 | C5A | H51 | 0.3° | 149.7° |
C4 | N3 | C5A | H52 | 109.2° | 29.8° |
C5A | N3 | C4 | O4 | 0.5° | 0.1° |
N3 | C5A | C6A | H51 | 125.2° | 120.1° |
N3 | C5A | C6A | H52 | 125.2° | 119.9° |
N3 | C5A | H51 | H52 | 117.9° | 119.9° |
N3 | C5A | C6A | C7A | 66.4° | 180.0° |
N3 | C5A | C6A | H61 | 168.3° | 60.0° |
N3 | C5A | C6A | H62 | 58.9° | 60.1° |
C6A | C5A | H51 | H52 | 117.9° | 120.0° |
C5A | C6A | C7A | H61 | 125.3° | 120.0° |
C5A | C6A | C7A | H62 | 125.3° | 120.0° |
C5A | C6A | H61 | H62 | 117.3° | 120.0° |
C5A | C6A | C7A | C8A | 166.0° | 180.0° |
C5A | C6A | C7A | H71 | 40.8° | 59.9° |
C5A | C6A | C7A | H72 | 68.7° | 60.0° |
H51 | C5A | C6A | C7A | 58.9° | 59.9° |
H51 | C5A | C6A | H61 | 66.4° | 179.9° |
H51 | C5A | C6A | H62 | 175.9° | 60.0° |
H52 | C5A | C6A | C7A | 168.4° | 60.1° |
H52 | C5A | C6A | H61 | 43.1° | 59.9° |
H52 | C5A | C6A | H62 | 66.4° | 180.0° |
C7A | C6A | H61 | H62 | 117.3° | 119.9° |
C6A | C7A | C8A | H71 | 125.3° | 120.0° |
C6A | C7A | C8A | H72 | 125.3° | 120.0° |
C6A | C7A | H71 | H72 | 118.0° | 119.9° |
C6A | C7A | C8A | C9A | 167.9° | 180.0° |
C6A | C7A | C8A | NAA | 72.8° | 60.1° |
C6A | C7A | C8A | H81 | 47.2° | 60.0° |
H61 | C6A | C7A | C8A | 68.7° | 60.0° |
H61 | C6A | C7A | H71 | 166.1° | 180.0° |
H61 | C6A | C7A | H72 | 56.6° | 60.1° |
H62 | C6A | C7A | C8A | 40.7° | 60.0° |
H62 | C6A | C7A | H71 | 84.5° | 60.1° |
H62 | C6A | C7A | H72 | 166.0° | 180.0° |
C8A | C7A | H71 | H72 | 118.0° | 120.0° |
C7A | C8A | C9A | NAA | 122.8° | 119.9° |
C7A | C8A | C9A | H81 | 117.2° | 120.0° |
C7A | C8A | NAA | H81 | 117.2° | 120.0° |
C7A | C8A | C9A | OJA | 157.5° | 90.0° |
C7A | C8A | C9A | OKA | 21.6° | 90.0° |
C7A | C8A | NAA | OAA | 40.1° | 66.2° |
C7A | C8A | NAA | CBA | 81.4° | 180.0° |
H71 | C7A | C8A | C9A | 42.7° | 60.0° |
H71 | C7A | C8A | NAA | 162.0° | 59.9° |
H71 | C7A | C8A | H81 | 78.1° | 180.0° |
H72 | C7A | C8A | C9A | 66.8° | 60.0° |
H72 | C7A | C8A | NAA | 52.5° | 179.9° |
H72 | C7A | C8A | H81 | 172.5° | 60.0° |
C9A | C8A | NAA | H81 | 120.9° | 120.0° |
C8A | C9A | OJA | OKA | 179.1° | 180.0° |
C8A | C9A | OJA | H91 | 179.9° | 180.0° |
C9A | C8A | NAA | OAA | 81.9° | 53.8° |
C9A | C8A | NAA | CBA | 156.7° | 60.1° |
NAA | C8A | C9A | OJA | 34.7° | 30.0° |
NAA | C8A | C9A | OKA | 144.4° | 150.0° |
C8A | NAA | OAA | CBA | 122.4° | 113.8° |
C8A | NAA | OAA | H10 | 179.9° | 66.2° |
C8A | NAA | CBA | OBA | 160.5° | 59.9° |
C8A | NAA | CBA | H111 | 74.2° | 179.9° |
C8A | NAA | CBA | H112 | 35.2° | 60.1° |
H81 | C8A | C9A | OJA | 85.4° | 150.0° |
H81 | C8A | C9A | OKA | 95.6° | 30.0° |
H81 | C8A | NAA | OAA | 157.3° | 173.8° |
H81 | C8A | NAA | CBA | 35.8° | 59.9° |
OKA | C9A | OJA | H91 | 1.0° | 0.0° |
OAA | NAA | CBA | OBA | 77.7° | 173.8° |
OAA | NAA | CBA | H111 | 47.6° | 66.2° |
OAA | NAA | CBA | H112 | 157.1° | 53.8° |
CBA | NAA | OAA | H10 | 57.7° | 180.0° |
NAA | CBA | OBA | H111 | 125.3° | 120.0° |
NAA | CBA | OBA | H112 | 125.3° | 120.0° |
NAA | CBA | H111 | H112 | 117.3° | 119.9° |
NAA | CBA | OBA | H11 | 180.0° | 180.0° |
OBA | CBA | H111 | H112 | 117.3° | 120.0° |
H111 | CBA | OBA | H11 | 54.8° | 60.0° |
H112 | CBA | OBA | H11 | 54.7° | 60.0° |