Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.62Å | |
P | O5' | sing | 1.61Å | 1.58Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
C2' | H2'' | sing | 1.09Å | 1.11Å | |
C1' | N1 | sing | 1.46Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N1 | C2 | sing | 1.35Å | 1.36Å | |
N1 | C6 | sing | 1.37Å | 1.41Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
C4 | O4 | doub | 1.22Å | 1.21Å | |
C4 | C5 | sing | 1.42Å | 1.43Å | |
C5 | I5 | sing | 2.10Å | 1.38Å | |
C5 | C6 | doub | 1.35Å | 1.38Å | |
C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 121.1° | 109.5° |
OP1 | P | OP3 | 104.5° | 109.5° |
OP1 | P | O5' | 112.2° | 109.5° |
OP2 | P | OP3 | 111.4° | 109.5° |
OP2 | P | O5' | 102.1° | 109.5° |
P | OP2 | HOP2 | 121.1° | 106.8° |
OP3 | P | O5' | 104.4° | 109.5° |
P | OP3 | HOP3 | 104.5° | 106.8° |
P | O5' | C5' | 120.6° | 106.8° |
O5' | C5' | C4' | 109.1° | 109.5° |
O5' | C5' | H5' | 112.4° | 109.4° |
O5' | C5' | H5'' | 112.4° | 109.5° |
C4' | C5' | H5' | 112.3° | 109.5° |
C4' | C5' | H5'' | 112.3° | 109.5° |
C5' | C4' | O4' | 107.3° | 110.4° |
C5' | C4' | C3' | 112.8° | 110.7° |
C5' | C4' | H4' | 107.7° | 110.3° |
H5' | C5' | H5'' | 98.1° | 109.5° |
O4' | C4' | C3' | 105.9° | 104.7° |
O4' | C4' | H4' | 114.3° | 110.3° |
C4' | O4' | C1' | 110.9° | 105.4° |
C3' | C4' | H4' | 109.0° | 110.3° |
C4' | C3' | O3' | 109.5° | 110.5° |
C4' | C3' | C2' | 102.7° | 104.2° |
C4' | C3' | H3' | 114.4° | 110.5° |
O4' | C1' | C2' | 106.1° | 104.8° |
O4' | C1' | N1 | 108.7° | 110.5° |
O4' | C1' | H1' | 116.0° | 110.4° |
O3' | C3' | C2' | 111.1° | 110.5° |
O3' | C3' | H3' | 106.4° | 110.5° |
C3' | O3' | HO3' | 109.5° | 106.8° |
C2' | C3' | H3' | 112.8° | 110.5° |
C3' | C2' | C1' | 102.2° | 104.0° |
C3' | C2' | H2' | 115.0° | 110.6° |
C3' | C2' | H2'' | 115.0° | 110.6° |
C1' | C2' | H2' | 115.0° | 110.5° |
C1' | C2' | H2'' | 115.0° | 110.5° |
C2' | C1' | N1 | 118.9° | 110.4° |
C2' | C1' | H1' | 105.2° | 110.4° |
H2' | C2' | H2'' | 95.5° | 110.5° |
N1 | C1' | H1' | 102.4° | 110.3° |
C1' | N1 | C2 | 112.6° | 119.7° |
C1' | N1 | C6 | 126.7° | 119.7° |
C2 | N1 | C6 | 120.7° | 120.6° |
N1 | C2 | O2 | 122.1° | 119.5° |
N1 | C2 | N3 | 115.1° | 120.9° |
N1 | C6 | C5 | 123.3° | 119.7° |
N1 | C6 | H6 | 119.5° | 120.1° |
O2 | C2 | N3 | 122.8° | 119.5° |
C2 | N3 | C4 | 128.0° | 120.3° |
C2 | N3 | HN3 | 115.8° | 119.8° |
C4 | N3 | HN3 | 116.2° | 119.8° |
N3 | C4 | O4 | 119.5° | 120.4° |
N3 | C4 | C5 | 115.9° | 119.4° |
O4 | C4 | C5 | 124.5° | 120.3° |
C4 | C5 | I5 | 117.1° | 120.4° |
C4 | C5 | C6 | 117.0° | 119.1° |
I5 | C5 | C6 | 125.9° | 120.5° |
C5 | C6 | H6 | 117.3° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 123.4° | 120.0° |
OP1 | P | OP2 | O5' | 125.6° | 120.0° |
OP1 | P | OP3 | O5' | 118.1° | 120.0° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
OP1 | P | O5' | C5' | 69.0° | 60.0° |
OP2 | P | OP3 | O5' | 109.5° | 120.0° |
OP2 | P | OP3 | HOP3 | 47.6° | 60.0° |
OP2 | P | O5' | C5' | 159.8° | 180.0° |
OP3 | P | OP2 | HOP2 | 56.6° | 60.0° |
OP3 | P | O5' | C5' | 43.6° | 60.1° |
O5' | P | OP2 | HOP2 | 54.4° | 180.0° |
O5' | P | OP3 | HOP3 | 61.9° | 60.0° |
P | O5' | C5' | C4' | 169.1° | 180.0° |
P | O5' | C5' | H5' | 65.7° | 60.0° |
P | O5' | C5' | H5'' | 43.8° | 60.0° |
O5' | C5' | C4' | H5' | 125.3° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
O5' | C5' | H5' | H5'' | 118.3° | 120.0° |
O5' | C5' | C4' | O4' | 68.3° | 61.4° |
O5' | C5' | C4' | C3' | 47.8° | 176.9° |
O5' | C5' | C4' | H4' | 168.2° | 60.7° |
C4' | C5' | H5' | H5'' | 118.2° | 120.0° |
C5' | C4' | O4' | C3' | 120.6° | 119.2° |
C5' | C4' | O4' | H4' | 119.3° | 122.2° |
C5' | C4' | C3' | H4' | 119.6° | 122.4° |
C5' | C4' | O4' | C1' | 114.8° | 159.5° |
C5' | C4' | C3' | O3' | 150.3° | 98.6° |
C5' | C4' | C3' | C2' | 91.7° | 142.7° |
C5' | C4' | C3' | H3' | 30.9° | 24.0° |
H5' | C5' | C4' | O4' | 166.4° | 178.6° |
H5' | C5' | C4' | C3' | 77.5° | 63.1° |
H5' | C5' | C4' | H4' | 42.9° | 59.2° |
H5'' | C5' | C4' | O4' | 56.9° | 58.6° |
H5'' | C5' | C4' | C3' | 173.1° | 56.9° |
H5'' | C5' | C4' | H4' | 66.6° | 179.2° |
O4' | C4' | C3' | H4' | 123.5° | 118.7° |
O4' | C4' | C3' | O3' | 92.7° | 142.5° |
O4' | C4' | C3' | C2' | 25.3° | 23.8° |
O4' | C4' | C3' | H3' | 147.9° | 94.9° |
C4' | O4' | C1' | C2' | 16.4° | 40.4° |
C4' | O4' | C1' | N1 | 145.3° | 159.3° |
C4' | O4' | C1' | H1' | 100.0° | 78.5° |
C3' | C4' | O4' | C1' | 5.8° | 40.3° |
C4' | C3' | O3' | C2' | 112.7° | 114.8° |
C4' | C3' | O3' | H3' | 124.1° | 122.6° |
C4' | C3' | C2' | H3' | 123.6° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
C4' | C3' | C2' | C1' | 34.0° | 0.1° |
C4' | C3' | C2' | H2' | 91.3° | 118.5° |
C4' | C3' | C2' | H2'' | 159.2° | 118.7° |
H4' | C4' | O4' | C1' | 125.8° | 78.4° |
H4' | C4' | C3' | O3' | 30.7° | 23.8° |
H4' | C4' | C3' | C2' | 148.8° | 94.9° |
H4' | C4' | C3' | H3' | 88.6° | 146.4° |
O4' | C1' | C2' | C3' | 31.6° | 23.9° |
O4' | C1' | C2' | N1 | 122.7° | 119.0° |
O4' | C1' | C2' | H1' | 123.5° | 118.9° |
O4' | C1' | C2' | H2' | 93.7° | 94.7° |
O4' | C1' | C2' | H2'' | 156.9° | 142.6° |
O4' | C1' | N1 | H1' | 123.3° | 122.3° |
O4' | C1' | N1 | C2 | 108.3° | 55.2° |
O4' | C1' | N1 | C6 | 72.6° | 124.5° |
O3' | C3' | C2' | H3' | 119.4° | 122.5° |
O3' | C3' | C2' | C1' | 83.0° | 118.7° |
O3' | C3' | C2' | H2' | 151.7° | 122.7° |
O3' | C3' | C2' | H2'' | 42.3° | 0.0° |
C2' | C3' | O3' | HO3' | 67.3° | 63.3° |
C3' | C2' | C1' | H2' | 125.3° | 118.7° |
C3' | C2' | C1' | H2'' | 125.2° | 118.7° |
C3' | C2' | H2' | H2'' | 120.8° | 122.7° |
C3' | C2' | C1' | N1 | 154.3° | 142.9° |
C3' | C2' | C1' | H1' | 91.9° | 94.9° |
H3' | C3' | O3' | HO3' | 55.9° | 59.2° |
H3' | C3' | C2' | C1' | 157.6° | 118.8° |
H3' | C3' | C2' | H2' | 32.3° | 0.2° |
H3' | C3' | C2' | H2'' | 77.2° | 122.5° |
C1' | C2' | H2' | H2'' | 120.9° | 122.7° |
C2' | C1' | N1 | H1' | 115.3° | 122.2° |
C2' | C1' | N1 | C2 | 130.3° | 60.3° |
C2' | C1' | N1 | C6 | 48.7° | 120.0° |
H2' | C2' | C1' | N1 | 29.0° | 24.3° |
H2' | C2' | C1' | H1' | 142.9° | 146.4° |
H2'' | C2' | C1' | N1 | 80.4° | 98.4° |
H2'' | C2' | C1' | H1' | 33.4° | 23.8° |
C1' | N1 | C2 | C6 | 179.1° | 179.7° |
C1' | N1 | C2 | O2 | 4.2° | 0.3° |
C1' | N1 | C2 | N3 | 176.2° | 179.6° |
C1' | N1 | C6 | C5 | 176.9° | 179.9° |
C1' | N1 | C6 | H6 | 3.1° | 0.0° |
H1' | C1' | N1 | C2 | 15.0° | 177.5° |
H1' | C1' | N1 | C6 | 164.0° | 2.3° |
N1 | C2 | O2 | N3 | 179.6° | 179.3° |
N1 | C2 | N3 | C4 | 1.3° | 0.6° |
N1 | C2 | N3 | HN3 | 178.7° | 179.7° |
C2 | N1 | C6 | C5 | 2.1° | 0.3° |
C2 | N1 | C6 | H6 | 178.0° | 179.8° |
C6 | N1 | C2 | O2 | 176.7° | 179.9° |
C6 | N1 | C2 | N3 | 2.9° | 0.6° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
N1 | C6 | C5 | I5 | 176.6° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
O2 | C2 | N3 | C4 | 178.3° | 180.0° |
O2 | C2 | N3 | HN3 | 1.7° | 0.4° |
C2 | N3 | C4 | HN3 | 180.0° | 179.6° |
C2 | N3 | C4 | O4 | 178.8° | 179.6° |
C2 | N3 | C4 | C5 | 1.2° | 0.3° |
N3 | C4 | O4 | C5 | 180.0° | 180.0° |
N3 | C4 | C5 | I5 | 175.4° | 180.0° |
N3 | C4 | C5 | C6 | 2.1° | 0.0° |
HN3 | N3 | C4 | O4 | 1.2° | 0.0° |
HN3 | N3 | C4 | C5 | 178.8° | 180.0° |
O4 | C4 | C5 | I5 | 4.6° | 0.0° |
O4 | C4 | C5 | C6 | 177.9° | 179.9° |
C4 | C5 | I5 | C6 | 177.2° | 180.0° |
C4 | C5 | C6 | H6 | 179.4° | 179.9° |
I5 | C5 | C6 | H6 | 3.4° | 0.1° |