Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.62Å | 1.48Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 156.15Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.50Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.51Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.41Å | 1.41Å | |
C2' | C1' | sing | 1.52Å | 1.53Å | |
C2' | H2' | sing | 1.10Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N1 | sing | 1.43Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.41Å | 1.38Å | |
N1 | C6 | sing | 1.39Å | 1.38Å | |
C2 | O2 | doub | 1.23Å | 1.22Å | |
C2 | N3 | sing | 1.40Å | 1.38Å | |
N3 | C4 | sing | 1.39Å | 1.39Å | |
N3 | H3 | sing | 1.02Å | 1.00Å | |
C4 | O4 | doub | 1.23Å | 1.23Å | |
C4 | C5 | sing | 1.49Å | 1.45Å | |
C5 | C5M | sing | 1.50Å | 1.50Å | |
C5 | C6 | doub | 1.34Å | 1.34Å | |
C5M | H71 | sing | 1.09Å | 1.10Å | |
C5M | H72 | sing | 1.09Å | 1.10Å | |
C5M | H73 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 109.5° | 119.0° |
OP3 | P | OP1 | 119.7° | 115.3° |
OP3 | P | OP2 | 116.6° | 103.3° |
OP3 | P | O5' | 108.6° | 103.8° |
OP1 | P | OP2 | 57.4° | 114.9° |
OP1 | P | O5' | 106.9° | 115.0° |
OP2 | P | O5' | 52.9° | 102.9° |
P | OP2 | HOP2 | 116.6° | 119.0° |
P | O5' | C5' | 120.8° | 118.5° |
O5' | C5' | C4' | 109.5° | 108.6° |
O5' | C5' | H5' | 109.4° | 109.2° |
O5' | C5' | H5'' | 109.4° | 109.3° |
C4' | C5' | H5' | 109.4° | 110.1° |
C4' | C5' | H5'' | 109.5° | 110.1° |
C5' | C4' | O4' | 109.2° | 108.2° |
C5' | C4' | C3' | 114.3° | 113.3° |
C5' | C4' | H4' | 104.9° | 109.3° |
H5' | C5' | H5'' | 109.5° | 109.6° |
O4' | C4' | C3' | 104.6° | 105.9° |
O4' | C4' | H4' | 114.6° | 107.7° |
C4' | O4' | C1' | 109.7° | 109.2° |
C3' | C4' | H4' | 109.5° | 112.2° |
C4' | C3' | O3' | 110.8° | 107.9° |
C4' | C3' | C2' | 102.4° | 102.1° |
C4' | C3' | H3' | 114.2° | 114.5° |
O4' | C1' | C2' | 107.5° | 106.5° |
O4' | C1' | N1 | 108.2° | 109.0° |
O4' | C1' | H1' | 113.4° | 108.9° |
O3' | C3' | C2' | 112.2° | 110.3° |
O3' | C3' | H3' | 104.7° | 107.8° |
C3' | O3' | HO3' | 109.5° | 106.4° |
C2' | C3' | H3' | 112.8° | 114.0° |
C3' | C2' | O2' | 112.2° | 112.3° |
C3' | C2' | C1' | 101.6° | 102.0° |
C3' | C2' | H2' | 112.7° | 110.1° |
O2' | C2' | C1' | 109.0° | 112.6° |
O2' | C2' | H2' | 105.8° | 108.6° |
C2' | O2' | HO2' | 109.5° | 107.1° |
C1' | C2' | H2' | 115.7° | 111.1° |
C2' | C1' | N1 | 114.2° | 112.5° |
C2' | C1' | H1' | 107.2° | 112.6° |
N1 | C1' | H1' | 106.5° | 107.3° |
C1' | N1 | C2 | 118.2° | 121.3° |
C1' | N1 | C6 | 120.6° | 118.5° |
C2 | N1 | C6 | 121.2° | 120.2° |
N1 | C2 | O2 | 123.2° | 123.8° |
N1 | C2 | N3 | 114.6° | 115.1° |
N1 | C6 | C5 | 123.8° | 124.5° |
N1 | C6 | H6 | 118.1° | 114.7° |
O2 | C2 | N3 | 122.2° | 121.1° |
C2 | N3 | C4 | 127.3° | 127.0° |
C2 | N3 | H3 | 116.4° | 116.4° |
C4 | N3 | H3 | 116.4° | 116.6° |
N3 | C4 | O4 | 119.9° | 123.6° |
N3 | C4 | C5 | 115.2° | 114.8° |
O4 | C4 | C5 | 124.9° | 121.6° |
C4 | C5 | C5M | 119.0° | 118.0° |
C4 | C5 | C6 | 118.0° | 118.4° |
C5M | C5 | C6 | 122.9° | 123.6° |
C5 | C5M | H71 | 109.4° | 109.7° |
C5 | C5M | H72 | 109.4° | 109.8° |
C5 | C5M | H73 | 109.5° | 109.7° |
C5 | C6 | H6 | 118.1° | 120.7° |
H71 | C5M | H72 | 109.5° | 109.4° |
H71 | C5M | H73 | 109.5° | 109.4° |
H72 | C5M | H73 | 109.5° | 108.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 104.4° | 120.0° |
OP3 | P | OP1 | O5' | 123.8° | 120.7° |
OP3 | P | OP2 | O5' | 93.9° | 107.7° |
OP3 | P | OP2 | HOP2 | 180.0° | 78.5° |
OP3 | P | O5' | C5' | 47.2° | 53.2° |
HOP3 | OP3 | P | OP1 | 47.6° | 48.7° |
HOP3 | OP3 | P | OP2 | 18.3° | 77.5° |
HOP3 | OP3 | P | O5' | 75.5° | 175.4° |
OP1 | P | OP2 | O5' | 156.4° | 125.8° |
OP1 | P | OP2 | HOP2 | 70.3° | 48.0° |
OP1 | P | O5' | C5' | 177.6° | 179.9° |
OP2 | P | O5' | C5' | 157.0° | 54.2° |
O5' | P | OP2 | HOP2 | 86.1° | 173.8° |
P | O5' | C5' | C4' | 162.7° | 180.0° |
P | O5' | C5' | H5' | 77.4° | 59.9° |
P | O5' | C5' | H5'' | 42.7° | 59.9° |
O5' | C5' | C4' | H5' | 120.0° | 119.5° |
O5' | C5' | C4' | H5'' | 120.0° | 119.6° |
O5' | C5' | H5' | H5'' | 120.0° | 119.6° |
O5' | C5' | C4' | O4' | 66.0° | 62.4° |
O5' | C5' | C4' | C3' | 50.7° | 179.5° |
O5' | C5' | C4' | H4' | 170.7° | 54.6° |
C4' | C5' | H5' | H5'' | 120.0° | 121.2° |
C5' | C4' | O4' | C3' | 122.7° | 121.7° |
C5' | C4' | O4' | H4' | 117.3° | 118.1° |
C5' | C4' | C3' | H4' | 117.4° | 124.4° |
C5' | C4' | O4' | C1' | 143.8° | 109.0° |
C5' | C4' | C3' | O3' | 85.2° | 156.8° |
C5' | C4' | C3' | C2' | 154.9° | 86.9° |
C5' | C4' | C3' | H3' | 32.7° | 36.8° |
H5' | C5' | C4' | O4' | 54.0° | 57.1° |
H5' | C5' | C4' | C3' | 170.7° | 60.0° |
H5' | C5' | C4' | H4' | 69.4° | 174.1° |
H5'' | C5' | C4' | O4' | 174.0° | 178.0° |
H5'' | C5' | C4' | C3' | 69.3° | 60.9° |
H5'' | C5' | C4' | H4' | 50.7° | 65.0° |
O4' | C4' | C3' | H4' | 123.3° | 117.2° |
O4' | C4' | C3' | O3' | 155.4° | 84.7° |
O4' | C4' | C3' | C2' | 35.6° | 31.5° |
O4' | C4' | C3' | H3' | 86.6° | 155.2° |
C4' | O4' | C1' | C2' | 2.3° | 11.3° |
C4' | O4' | C1' | N1 | 121.5° | 132.9° |
C4' | O4' | C1' | H1' | 120.6° | 110.3° |
C3' | C4' | O4' | C1' | 21.0° | 12.8° |
C4' | C3' | O3' | C2' | 113.8° | 110.7° |
C4' | C3' | O3' | H3' | 123.5° | 124.2° |
C4' | C3' | C2' | H3' | 123.2° | 124.0° |
C4' | C3' | O3' | HO3' | 114.2° | 15.2° |
C4' | C3' | C2' | O2' | 80.5° | 158.0° |
C4' | C3' | C2' | C1' | 35.8° | 37.1° |
C4' | C3' | C2' | H2' | 160.3° | 80.9° |
H4' | C4' | O4' | C1' | 98.9° | 133.0° |
H4' | C4' | C3' | O3' | 32.2° | 32.5° |
H4' | C4' | C3' | C2' | 87.7° | 148.7° |
H4' | C4' | C3' | H3' | 150.1° | 87.6° |
O4' | C1' | C2' | C3' | 24.3° | 30.7° |
O4' | C1' | C2' | O2' | 94.3° | 151.3° |
O4' | C1' | C2' | N1 | 120.0° | 119.3° |
O4' | C1' | C2' | H1' | 122.2° | 119.3° |
O4' | C1' | C2' | H2' | 146.7° | 86.6° |
O4' | C1' | N1 | H1' | 122.2° | 117.7° |
O4' | C1' | N1 | C2 | 148.6° | 147.8° |
O4' | C1' | N1 | C6 | 30.9° | 32.3° |
O3' | C3' | C2' | H3' | 118.0° | 121.5° |
O3' | C3' | C2' | O2' | 38.4° | 43.5° |
O3' | C3' | C2' | C1' | 154.6° | 77.4° |
O3' | C3' | C2' | H2' | 80.9° | 164.6° |
C2' | C3' | O3' | HO3' | 132.0° | 95.6° |
C3' | C2' | O2' | C1' | 111.8° | 114.5° |
C3' | C2' | O2' | H2' | 123.2° | 122.0° |
C3' | C2' | C1' | H2' | 122.4° | 117.3° |
C3' | C2' | O2' | HO2' | 62.8° | 168.8° |
C3' | C2' | C1' | N1 | 95.7° | 150.0° |
C3' | C2' | C1' | H1' | 146.5° | 88.5° |
H3' | C3' | O3' | HO3' | 9.3° | 139.4° |
H3' | C3' | C2' | O2' | 156.4° | 78.0° |
H3' | C3' | C2' | C1' | 87.4° | 161.1° |
H3' | C3' | C2' | H2' | 37.1° | 43.1° |
O2' | C2' | C1' | H2' | 119.0° | 122.1° |
O2' | C2' | C1' | N1 | 145.7° | 89.4° |
O2' | C2' | C1' | H1' | 27.9° | 32.1° |
C1' | C2' | O2' | HO2' | 174.6° | 54.3° |
C2' | C1' | N1 | H1' | 118.2° | 124.4° |
C2' | C1' | N1 | C2 | 91.8° | 94.3° |
C2' | C1' | N1 | C6 | 88.7° | 85.6° |
H2' | C2' | O2' | HO2' | 60.4° | 69.2° |
H2' | C2' | C1' | N1 | 26.7° | 32.7° |
H2' | C2' | C1' | H1' | 91.1° | 154.2° |
C1' | N1 | C2 | C6 | 179.6° | 179.9° |
C1' | N1 | C2 | O2 | 1.0° | 0.1° |
C1' | N1 | C2 | N3 | 179.0° | 180.0° |
C1' | N1 | C6 | C5 | 179.0° | 180.0° |
C1' | N1 | C6 | H6 | 1.0° | 0.0° |
H1' | C1' | N1 | C2 | 26.4° | 30.1° |
H1' | C1' | N1 | C6 | 153.2° | 150.0° |
N1 | C2 | O2 | N3 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
N1 | C2 | N3 | H3 | 179.7° | 179.9° |
C2 | N1 | C6 | C5 | 0.5° | 0.0° |
C2 | N1 | C6 | H6 | 179.4° | 180.0° |
C6 | N1 | C2 | O2 | 179.4° | 180.0° |
C6 | N1 | C2 | N3 | 0.6° | 0.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.0° |
N1 | C6 | C5 | C5M | 179.7° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
O2 | C2 | N3 | C4 | 179.7° | 179.9° |
O2 | C2 | N3 | H3 | 0.2° | 0.0° |
C2 | N3 | C4 | H3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 180.0° | 179.9° |
C2 | N3 | C4 | C5 | 0.1° | 0.1° |
N3 | C4 | O4 | C5 | 180.0° | 180.0° |
N3 | C4 | C5 | C5M | 180.0° | 180.0° |
N3 | C4 | C5 | C6 | 0.1° | 0.0° |
H3 | N3 | C4 | O4 | 0.1° | 0.0° |
H3 | N3 | C4 | C5 | 179.9° | 180.0° |
O4 | C4 | C5 | C5M | 0.0° | 0.0° |
O4 | C4 | C5 | C6 | 179.9° | 180.0° |
C4 | C5 | C5M | C6 | 179.9° | 180.0° |
C4 | C5 | C5M | H71 | 52.1° | 115.8° |
C4 | C5 | C5M | H72 | 172.1° | 124.0° |
C4 | C5 | C5M | H73 | 67.9° | 4.4° |
C4 | C5 | C6 | H6 | 179.8° | 180.0° |
C5 | C5M | H71 | H72 | 120.0° | 120.5° |
C5 | C5M | H71 | H73 | 120.0° | 120.4° |
C5 | C5M | H72 | H73 | 120.0° | 120.1° |
C5M | C5 | C6 | H6 | 0.3° | 0.0° |
C6 | C5 | C5M | H71 | 128.0° | 64.2° |
C6 | C5 | C5M | H72 | 8.0° | 56.0° |
C6 | C5 | C5M | H73 | 112.0° | 175.6° |
H71 | C5M | H72 | H73 | 120.0° | 119.5° |