SOS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.62Å | 1.65Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
C15 | H15 | sing | 1.09Å | 1.08Å | |
C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
C14 | H14 | sing | 1.09Å | 1.08Å | |
C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C13 | H13 | sing | 1.09Å | 1.08Å | |
C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
C12 | H12 | sing | 1.09Å | 1.08Å | |
C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | H11 | sing | 1.09Å | 1.08Å | |
C10 | C9 | sing | 1.50Å | 1.53Å | |
C9 | N7 | sing | 1.46Å | 1.47Å | |
C9 | H91 | sing | 1.10Å | 1.10Å | |
C9 | H92 | sing | 1.10Å | 1.10Å | |
N7 | C8 | sing | 1.39Å | 1.36Å | |
N7 | C5 | sing | 1.37Å | 1.36Å | |
C8 | O8 | doub | 1.23Å | 1.23Å | |
C8 | H8 | sing | 1.10Å | 1.08Å | |
C5 | C6 | sing | 1.49Å | 1.40Å | |
C5 | C4 | doub | 1.36Å | 1.40Å | |
C6 | O6 | doub | 1.23Å | 1.23Å | |
C6 | N1 | sing | 1.38Å | 1.40Å | |
N1 | C2 | sing | 1.38Å | 1.37Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
C2 | N3 | doub | 1.30Å | 1.35Å | |
C2 | N2 | sing | 1.37Å | 1.35Å | |
N2 | HN21 | sing | 0.99Å | 1.00Å | |
N2 | HN22 | sing | 0.99Å | 1.00Å | |
N3 | C4 | sing | 1.39Å | 1.36Å | |
C4 | N9 | sing | 1.33Å | 1.36Å | |
N9 | C1' | sing | 1.44Å | 1.48Å | |
N9 | HN9 | sing | 1.02Å | 1.00Å | |
C1' | C2' | sing | 1.53Å | 1.56Å | |
C1' | C6' | sing | 1.54Å | 1.58Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C6' | C4' | sing | 1.54Å | 1.56Å | |
C6' | H6'1 | sing | 1.10Å | 1.10Å | |
C6' | H6'2 | sing | 1.10Å | 1.10Å | |
C2' | C3' | sing | 1.52Å | 1.47Å | |
C2' | H2' | sing | 1.10Å | 1.10Å | |
C2' | H2'' | sing | 1.10Å | 1.10Å | |
C3' | C4' | sing | 1.53Å | 1.50Å | |
C3' | O3' | sing | 1.41Å | 1.42Å | |
C3' | H3' | sing | 1.10Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | C5' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.10Å | 1.10Å | |
C5' | O5' | sing | 1.42Å | 1.40Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
O5' | P | sing | 1.62Å | 1.59Å | |
P | OP1 | doub | 1.50Å | 1.47Å | |
P | OP2 | sing | 1.62Å | 1.43Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 109.5° | 118.9° |
OP3 | P | O5' | 95.2° | 102.9° |
OP3 | P | OP1 | 95.6° | 115.0° |
OP3 | P | OP2 | 99.1° | 103.3° |
C10 | C15 | C14 | 119.6° | 119.6° |
C10 | C15 | H15 | 120.2° | 120.9° |
C15 | C10 | C11 | 121.2° | 120.7° |
C15 | C10 | C9 | 118.9° | 119.7° |
C14 | C15 | H15 | 120.2° | 119.5° |
C15 | C14 | C13 | 119.4° | 120.1° |
C15 | C14 | H14 | 120.3° | 120.0° |
C13 | C14 | H14 | 120.3° | 120.0° |
C14 | C13 | C12 | 120.8° | 120.0° |
C14 | C13 | H13 | 119.6° | 120.0° |
C12 | C13 | H13 | 119.6° | 120.0° |
C13 | C12 | C11 | 119.5° | 120.0° |
C13 | C12 | H12 | 120.3° | 119.9° |
C11 | C12 | H12 | 120.3° | 120.0° |
C12 | C11 | C10 | 119.5° | 119.6° |
C12 | C11 | H11 | 120.2° | 119.4° |
C10 | C11 | H11 | 120.2° | 120.9° |
C11 | C10 | C9 | 119.9° | 119.6° |
C10 | C9 | N7 | 112.1° | 112.0° |
C10 | C9 | H91 | 108.6° | 110.6° |
C10 | C9 | H92 | 108.0° | 111.0° |
N7 | C9 | H91 | 108.6° | 107.9° |
N7 | C9 | H92 | 108.0° | 107.8° |
C9 | N7 | C8 | 116.3° | 120.3° |
C9 | N7 | C5 | 125.1° | 119.8° |
H91 | C9 | H92 | 111.5° | 107.3° |
C8 | N7 | C5 | 118.6° | 119.8° |
N7 | C8 | O8 | 125.0° | 127.6° |
N7 | C8 | H8 | 117.5° | 112.1° |
N7 | C5 | C6 | 120.6° | 116.0° |
N7 | C5 | C4 | 123.1° | 123.9° |
O8 | C8 | H8 | 117.5° | 120.3° |
C6 | C5 | C4 | 116.2° | 120.0° |
C5 | C6 | O6 | 118.8° | 122.2° |
C5 | C6 | N1 | 121.2° | 113.7° |
C5 | C4 | N3 | 119.7° | 121.3° |
C5 | C4 | N9 | 120.8° | 120.1° |
O6 | C6 | N1 | 119.9° | 124.1° |
C6 | N1 | C2 | 120.7° | 123.2° |
C6 | N1 | HN1 | 119.6° | 118.4° |
C2 | N1 | HN1 | 119.6° | 118.4° |
N1 | C2 | N3 | 117.0° | 121.9° |
N1 | C2 | N2 | 122.5° | 115.7° |
N3 | C2 | N2 | 120.5° | 122.4° |
C2 | N3 | C4 | 125.1° | 119.8° |
C2 | N2 | HN21 | 109.4° | 118.4° |
C2 | N2 | HN22 | 125.3° | 118.3° |
HN21 | N2 | HN22 | 125.3° | 123.3° |
N3 | C4 | N9 | 119.5° | 118.6° |
C4 | N9 | C1' | 122.0° | 122.5° |
C4 | N9 | HN9 | 105.5° | 118.0° |
C1' | N9 | HN9 | 105.5° | 119.4° |
N9 | C1' | C2' | 113.3° | 111.2° |
N9 | C1' | C6' | 112.1° | 110.9° |
N9 | C1' | H1' | 103.4° | 107.9° |
C2' | C1' | C6' | 103.9° | 105.7° |
C2' | C1' | H1' | 111.6° | 110.3° |
C1' | C2' | C3' | 89.7° | 103.8° |
C1' | C2' | H2' | 116.7° | 110.5° |
C1' | C2' | H2'' | 120.3° | 113.7° |
C6' | C1' | H1' | 112.8° | 110.8° |
C1' | C6' | C4' | 105.5° | 106.1° |
C1' | C6' | H6'1 | 110.8° | 110.8° |
C1' | C6' | H6'2 | 111.6° | 111.7° |
C4' | C6' | H6'1 | 110.8° | 109.7° |
C4' | C6' | H6'2 | 111.7° | 111.5° |
C6' | C4' | C3' | 95.2° | 104.1° |
C6' | C4' | C5' | 107.2° | 113.2° |
C6' | C4' | H4' | 122.4° | 109.4° |
H6'1 | C6' | H6'2 | 106.5° | 107.1° |
C3' | C2' | H2' | 116.6° | 110.1° |
C3' | C2' | H2'' | 120.3° | 111.8° |
C2' | C3' | C4' | 111.4° | 102.4° |
C2' | C3' | O3' | 117.7° | 111.5° |
C2' | C3' | H3' | 106.8° | 111.1° |
H2' | C2' | H2'' | 95.4° | 107.1° |
C4' | C3' | O3' | 119.9° | 111.1° |
C4' | C3' | H3' | 103.6° | 111.7° |
C3' | C4' | C5' | 117.4° | 113.1° |
C3' | C4' | H4' | 113.1° | 109.6° |
O3' | C3' | H3' | 93.6° | 108.9° |
C3' | O3' | HO3' | 109.5° | 107.1° |
C5' | C4' | H4' | 102.3° | 107.4° |
C4' | C5' | O5' | 109.5° | 108.7° |
C4' | C5' | H5' | 109.4° | 110.2° |
C4' | C5' | H5'' | 109.5° | 110.2° |
O5' | C5' | H5' | 109.4° | 109.1° |
O5' | C5' | H5'' | 109.4° | 109.2° |
C5' | O5' | P | 124.8° | 118.5° |
H5' | C5' | H5'' | 109.5° | 109.5° |
O5' | P | OP1 | 115.9° | 115.0° |
O5' | P | OP2 | 113.8° | 103.7° |
OP1 | P | OP2 | 126.2° | 115.3° |
P | OP2 | HOP2 | 109.5° | 118.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | O5' | C5' | 63.7° | 54.2° |
OP3 | P | O5' | OP1 | 98.8° | 125.8° |
OP3 | P | O5' | OP2 | 102.4° | 107.4° |
OP3 | P | OP1 | OP2 | 105.6° | 120.1° |
OP3 | P | OP2 | HOP2 | 166.0° | 77.5° |
HOP3 | OP3 | P | O5' | 149.6° | 173.9° |
HOP3 | OP3 | P | OP1 | 93.7° | 48.1° |
HOP3 | OP3 | P | OP2 | 34.4° | 78.4° |
C10 | C15 | C14 | H15 | 180.0° | 180.0° |
C10 | C15 | C14 | C13 | 1.0° | 0.0° |
C10 | C15 | C14 | H14 | 179.0° | 180.0° |
C15 | C10 | C11 | C12 | 0.8° | 0.1° |
C15 | C10 | C11 | C9 | 179.5° | 180.0° |
C15 | C10 | C11 | H11 | 179.2° | 180.0° |
C15 | C10 | C9 | N7 | 90.9° | 90.0° |
C15 | C10 | C9 | H91 | 29.1° | 30.5° |
C15 | C10 | C9 | H92 | 150.2° | 149.5° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 0.8° | 0.0° |
C15 | C14 | C13 | H13 | 179.2° | 180.0° |
C14 | C15 | C10 | C11 | 1.8° | 0.0° |
C14 | C15 | C10 | C9 | 178.7° | 180.0° |
H15 | C15 | C14 | C13 | 179.0° | 180.0° |
H15 | C15 | C14 | H14 | 1.0° | 0.0° |
H15 | C15 | C10 | C11 | 178.2° | 180.0° |
H15 | C15 | C10 | C9 | 1.3° | 0.0° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 1.7° | 0.0° |
C14 | C13 | C12 | H12 | 178.3° | 180.0° |
H14 | C14 | C13 | C12 | 179.3° | 180.0° |
H14 | C14 | C13 | H13 | 0.8° | 0.0° |
C13 | C12 | C11 | H12 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.9° | 0.0° |
C13 | C12 | C11 | H11 | 179.1° | 180.0° |
H13 | C13 | C12 | C11 | 178.2° | 180.0° |
H13 | C13 | C12 | H12 | 1.8° | 0.0° |
C12 | C11 | C10 | H11 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 179.7° | 180.0° |
H12 | C12 | C11 | C10 | 179.1° | 180.0° |
H12 | C12 | C11 | H11 | 0.9° | 0.0° |
C11 | C10 | C9 | N7 | 88.5° | 90.0° |
C11 | C10 | C9 | H91 | 151.4° | 149.6° |
C11 | C10 | C9 | H92 | 30.3° | 30.6° |
H11 | C11 | C10 | C9 | 0.3° | 0.0° |
C10 | C9 | N7 | H91 | 120.0° | 122.0° |
C10 | C9 | N7 | H92 | 118.9° | 122.4° |
C10 | C9 | H91 | H92 | 118.9° | 121.2° |
C10 | C9 | N7 | C8 | 120.7° | 90.1° |
C10 | C9 | N7 | C5 | 59.6° | 90.0° |
N7 | C9 | H91 | H92 | 118.9° | 116.0° |
C9 | N7 | C8 | C5 | 179.7° | 179.9° |
C9 | N7 | C8 | O8 | 179.5° | 0.0° |
C9 | N7 | C8 | H8 | 0.5° | 180.0° |
C9 | N7 | C5 | C6 | 77.2° | 60.0° |
C9 | N7 | C5 | C4 | 105.4° | 120.0° |
H91 | C9 | N7 | C8 | 119.3° | 148.0° |
H91 | C9 | N7 | C5 | 60.4° | 32.0° |
H92 | C9 | N7 | C8 | 1.8° | 32.4° |
H92 | C9 | N7 | C5 | 178.5° | 147.6° |
N7 | C8 | O8 | H8 | 180.0° | 180.0° |
C8 | N7 | C5 | C6 | 102.5° | 119.9° |
C8 | N7 | C5 | C4 | 74.9° | 60.0° |
C5 | N7 | C8 | O8 | 0.3° | 180.0° |
C5 | N7 | C8 | H8 | 179.7° | 0.0° |
N7 | C5 | C6 | C4 | 177.6° | 180.0° |
N7 | C5 | C6 | O6 | 2.7° | 0.0° |
N7 | C5 | C6 | N1 | 178.4° | 179.9° |
N7 | C5 | C4 | N3 | 177.6° | 180.0° |
N7 | C5 | C4 | N9 | 1.9° | 0.0° |
C5 | C6 | O6 | N1 | 178.9° | 179.9° |
C5 | C6 | N1 | C2 | 1.4° | 0.1° |
C5 | C6 | N1 | HN1 | 178.6° | 180.0° |
C6 | C5 | C4 | N3 | 0.1° | 0.1° |
C6 | C5 | C4 | N9 | 179.4° | 180.0° |
C4 | C5 | C6 | O6 | 179.7° | 180.0° |
C4 | C5 | C6 | N1 | 0.9° | 0.1° |
C5 | C4 | N3 | C2 | 0.2° | 0.1° |
C5 | C4 | N3 | N9 | 179.5° | 180.0° |
C5 | C4 | N9 | C1' | 163.5° | 180.0° |
C5 | C4 | N9 | HN9 | 76.5° | 0.0° |
O6 | C6 | N1 | C2 | 179.8° | 179.9° |
O6 | C6 | N1 | HN1 | 0.2° | 0.0° |
C6 | N1 | C2 | HN1 | 180.0° | 179.9° |
C6 | N1 | C2 | N3 | 1.0° | 0.1° |
C6 | N1 | C2 | N2 | 179.4° | 180.0° |
N1 | C2 | N3 | N2 | 178.4° | 179.9° |
N1 | C2 | N2 | HN21 | 0.9° | 157.8° |
N1 | C2 | N2 | HN22 | 179.1° | 22.3° |
N1 | C2 | N3 | C4 | 0.2° | 0.1° |
HN1 | N1 | C2 | N3 | 178.9° | 180.0° |
HN1 | N1 | C2 | N2 | 0.6° | 0.1° |
N3 | C2 | N2 | HN21 | 179.2° | 22.1° |
N3 | C2 | N2 | HN22 | 0.8° | 157.8° |
C2 | N3 | C4 | N9 | 179.8° | 180.0° |
C2 | N2 | HN21 | HN22 | 180.0° | 179.9° |
N2 | C2 | N3 | C4 | 178.6° | 180.0° |
N3 | C4 | N9 | C1' | 17.0° | 0.0° |
N3 | C4 | N9 | HN9 | 103.0° | 180.0° |
C4 | N9 | C1' | HN9 | 120.0° | 180.0° |
C4 | N9 | C1' | C2' | 170.8° | 161.2° |
C4 | N9 | C1' | C6' | 53.5° | 81.5° |
C4 | N9 | C1' | H1' | 68.3° | 40.0° |
N9 | C1' | C2' | C6' | 122.0° | 120.5° |
N9 | C1' | C2' | H1' | 116.2° | 119.7° |
N9 | C1' | C6' | H1' | 116.2° | 119.8° |
N9 | C1' | C6' | C4' | 145.8° | 117.3° |
N9 | C1' | C6' | H6'1 | 25.9° | 123.8° |
N9 | C1' | C6' | H6'2 | 92.7° | 4.4° |
N9 | C1' | C2' | C3' | 167.6° | 92.7° |
N9 | C1' | C2' | H2' | 72.4° | 149.4° |
N9 | C1' | C2' | H2'' | 42.1° | 29.0° |
HN9 | N9 | C1' | C2' | 69.2° | 18.8° |
HN9 | N9 | C1' | C6' | 173.5° | 98.5° |
HN9 | N9 | C1' | H1' | 51.8° | 140.0° |
C2' | C1' | C6' | H1' | 121.0° | 119.5° |
C2' | C1' | C6' | C4' | 23.1° | 3.4° |
C2' | C1' | C6' | H6'1 | 96.9° | 115.6° |
C2' | C1' | C6' | H6'2 | 144.6° | 125.1° |
C1' | C2' | C3' | H2' | 120.0° | 118.3° |
C1' | C2' | C3' | H2'' | 125.5° | 122.9° |
C1' | C2' | H2' | H2'' | 127.9° | 124.3° |
C1' | C2' | C3' | C4' | 60.3° | 41.5° |
C1' | C2' | C3' | O3' | 83.8° | 160.4° |
C1' | C2' | C3' | H3' | 172.7° | 77.9° |
C1' | C6' | C4' | H6'1 | 120.0° | 119.7° |
C1' | C6' | C4' | H6'2 | 121.5° | 121.8° |
C1' | C6' | H6'1 | H6'2 | 121.6° | 122.0° |
C6' | C1' | C2' | C3' | 45.6° | 27.8° |
C6' | C1' | C2' | H2' | 165.6° | 90.2° |
C6' | C1' | C2' | H2'' | 79.9° | 149.5° |
C1' | C6' | C4' | C3' | 10.6° | 22.1° |
C1' | C6' | C4' | C5' | 110.2° | 145.4° |
C1' | C6' | C4' | H4' | 132.3° | 94.9° |
H1' | C1' | C6' | C4' | 98.0° | 122.9° |
H1' | C1' | C6' | H6'1 | 142.1° | 3.9° |
H1' | C1' | C6' | H6'2 | 23.5° | 115.4° |
H1' | C1' | C2' | C3' | 76.2° | 147.6° |
H1' | C1' | C2' | H2' | 43.8° | 29.6° |
H1' | C1' | C2' | H2'' | 158.3° | 90.7° |
C4' | C6' | H6'1 | H6'2 | 121.6° | 121.2° |
C6' | C4' | C3' | C2' | 47.1° | 39.3° |
C6' | C4' | C3' | C5' | 112.5° | 123.3° |
C6' | C4' | C3' | H4' | 128.6° | 117.0° |
C6' | C4' | C3' | O3' | 96.1° | 158.4° |
C6' | C4' | C3' | H3' | 161.6° | 79.7° |
C6' | C4' | C5' | H4' | 130.0° | 120.9° |
C6' | C4' | C5' | O5' | 174.0° | 59.5° |
C6' | C4' | C5' | H5' | 66.0° | 60.0° |
C6' | C4' | C5' | H5'' | 54.1° | 179.1° |
H6'1 | C6' | C4' | C3' | 130.6° | 141.8° |
H6'1 | C6' | C4' | C5' | 9.8° | 95.0° |
H6'1 | C6' | C4' | H4' | 107.7° | 24.8° |
H6'2 | C6' | C4' | C3' | 110.8° | 99.6° |
H6'2 | C6' | C4' | C5' | 128.3° | 23.6° |
H6'2 | C6' | C4' | H4' | 10.8° | 143.3° |
C3' | C2' | H2' | H2'' | 127.8° | 121.7° |
C2' | C3' | C4' | O3' | 143.2° | 119.2° |
C2' | C3' | C4' | H3' | 114.5° | 119.0° |
C2' | C3' | O3' | H3' | 111.1° | 123.0° |
C2' | C3' | O3' | HO3' | 41.1° | 27.5° |
C2' | C3' | C4' | C5' | 65.4° | 162.5° |
C2' | C3' | C4' | H4' | 175.8° | 77.7° |
H2' | C2' | C3' | C4' | 179.7° | 76.7° |
H2' | C2' | C3' | O3' | 36.2° | 42.2° |
H2' | C2' | C3' | H3' | 67.3° | 163.9° |
H2'' | C2' | C3' | C4' | 65.3° | 164.4° |
H2'' | C2' | C3' | O3' | 150.6° | 76.7° |
H2'' | C2' | C3' | H3' | 47.1° | 45.0° |
C4' | C3' | O3' | H3' | 107.9° | 123.5° |
C4' | C3' | O3' | HO3' | 177.9° | 141.1° |
C3' | C4' | C5' | H4' | 124.5° | 121.0° |
C3' | C4' | C5' | O5' | 68.5° | 177.7° |
C3' | C4' | C5' | H5' | 171.5° | 58.1° |
C3' | C4' | C5' | H5'' | 51.5° | 62.8° |
O3' | C3' | C4' | C5' | 151.4° | 78.3° |
O3' | C3' | C4' | H4' | 32.5° | 41.4° |
H3' | C3' | O3' | HO3' | 70.0° | 95.4° |
H3' | C3' | C4' | C5' | 49.1° | 43.6° |
H3' | C3' | C4' | H4' | 69.7° | 163.3° |
C4' | C5' | O5' | H5' | 120.0° | 120.2° |
C4' | C5' | O5' | H5'' | 120.0° | 120.2° |
C4' | C5' | H5' | H5'' | 120.0° | 121.3° |
C4' | C5' | O5' | P | 151.8° | 180.0° |
H4' | C4' | C5' | O5' | 56.0° | 61.4° |
H4' | C4' | C5' | H5' | 64.0° | 179.1° |
H4' | C4' | C5' | H5'' | 176.0° | 58.2° |
O5' | C5' | H5' | H5'' | 120.0° | 119.4° |
C5' | O5' | P | OP1 | 35.1° | 180.0° |
C5' | O5' | P | OP2 | 166.1° | 53.2° |
H5' | C5' | O5' | P | 31.8° | 59.8° |
H5'' | C5' | O5' | P | 88.3° | 59.8° |
O5' | P | OP1 | OP2 | 155.8° | 120.6° |
O5' | P | OP2 | HOP2 | 66.1° | 175.4° |
OP1 | P | OP2 | HOP2 | 90.1° | 48.8° |