VSN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.22Å | |
C6 | N1 | sing | 1.35Å | 1.33Å | |
C6 | C5 | sing | 1.41Å | 1.42Å | |
N1 | C2 | sing | 1.36Å | 1.33Å | |
C5 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
C2 | N2 | sing | 1.37Å | 1.46Å | |
C2 | N3 | doub | 1.31Å | 1.33Å | |
C4 | N3 | sing | 1.34Å | 1.35Å | |
C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
C8 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.44Å | |
OP1 | P | doub | 1.48Å | 1.52Å | |
C1' | O4' | sing | 1.45Å | 1.29Å | |
C1' | C2' | sing | 1.55Å | 1.67Å | |
O4' | C4' | sing | 1.44Å | 1.61Å | |
OP2 | P | sing | 1.61Å | 1.53Å | |
P | O5' | sing | 1.61Å | 1.68Å | |
P | OP3 | sing | 1.61Å | 1.66Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
O2B | PB | sing | 1.61Å | 1.66Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C3' | sing | 1.55Å | 1.33Å | |
C4' | C5' | sing | 1.53Å | 1.37Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
OP3 | PB | sing | 1.61Å | 1.67Å | |
PB | S1B | doub | 1.86Å | 1.91Å | |
PB | O3B | sing | 1.61Å | 1.65Å | |
C3' | O3' | sing | 1.43Å | 1.49Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N2 | H22 | sing | 0.97Å | 1.00Å | |
N2 | H21 | sing | 0.97Å | 1.00Å | |
N1 | HOP3 | sing | 0.97Å | 1.00Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | N1 | 119.9° | 120.8° |
O6 | C6 | C5 | 120.5° | 120.8° |
N1 | C6 | C5 | 119.5° | 118.3° |
C6 | N1 | C2 | 120.6° | 120.4° |
C6 | N1 | HOP3 | 119.7° | 119.8° |
C6 | C5 | N7 | 135.2° | 134.1° |
C6 | C5 | C4 | 117.7° | 118.6° |
N1 | C2 | N2 | 119.4° | 119.1° |
N1 | C2 | N3 | 122.0° | 121.9° |
C2 | N1 | HOP3 | 119.7° | 119.9° |
N7 | C5 | C4 | 107.1° | 107.3° |
C5 | N7 | C8 | 108.1° | 109.3° |
C5 | C4 | N3 | 120.1° | 119.7° |
C5 | C4 | N9 | 107.1° | 106.1° |
N7 | C8 | N9 | 109.3° | 109.8° |
N7 | C8 | H8 | 125.3° | 125.1° |
N2 | C2 | N3 | 118.6° | 119.0° |
C2 | N2 | H22 | 120.0° | 120.0° |
C2 | N2 | H21 | 120.0° | 120.0° |
C2 | N3 | C4 | 120.0° | 121.1° |
N3 | C4 | N9 | 132.8° | 134.2° |
C4 | N9 | C8 | 108.4° | 107.5° |
C4 | N9 | C1' | 124.3° | 126.3° |
C8 | N9 | C1' | 127.3° | 126.3° |
N9 | C8 | H8 | 125.3° | 125.1° |
N9 | C1' | O4' | 110.7° | 110.6° |
N9 | C1' | C2' | 108.5° | 110.7° |
N9 | C1' | H1' | 110.4° | 110.7° |
OP1 | P | OP2 | 109.6° | 109.5° |
OP1 | P | O5' | 109.3° | 109.5° |
OP1 | P | OP3 | 110.3° | 109.5° |
O4' | C1' | C2' | 106.7° | 103.5° |
C1' | O4' | C4' | 105.9° | 107.0° |
O4' | C1' | H1' | 112.9° | 110.6° |
C1' | C2' | O2' | 110.1° | 110.9° |
C1' | C2' | C3' | 105.4° | 102.1° |
C2' | C1' | H1' | 107.5° | 110.5° |
C1' | C2' | H2' | 107.7° | 110.9° |
O4' | C4' | C5' | 109.3° | 109.9° |
O4' | C4' | C3' | 105.7° | 107.3° |
O4' | C4' | H4' | 108.9° | 110.0° |
OP2 | P | O5' | 109.2° | 109.5° |
OP2 | P | OP3 | 110.0° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
O5' | P | OP3 | 108.4° | 109.4° |
P | O5' | C5' | 117.5° | 123.0° |
P | OP3 | PB | 124.9° | 134.0° |
O5' | C5' | C4' | 108.1° | 109.5° |
O5' | C5' | H5' | 109.8° | 109.5° |
O5' | C5' | H5'' | 109.8° | 109.5° |
O2B | PB | OP3 | 109.4° | 109.4° |
O2B | PB | S1B | 109.4° | 109.5° |
O2B | PB | O3B | 109.5° | 109.5° |
PB | O2B | HOB2 | 109.5° | 114.0° |
O2' | C2' | C3' | 110.0° | 110.9° |
O2' | C2' | H2' | 111.0° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | C4' | 104.3° | 104.3° |
C2' | C3' | O3' | 110.0° | 110.5° |
C2' | C3' | H3' | 112.6° | 110.5° |
C3' | C2' | H2' | 112.5° | 110.8° |
C5' | C4' | C3' | 110.6° | 109.9° |
C5' | C4' | H4' | 112.3° | 109.9° |
C4' | C5' | H5' | 109.8° | 109.5° |
C4' | C5' | H5'' | 109.8° | 109.5° |
C4' | C3' | O3' | 110.3° | 110.5° |
C4' | C3' | H3' | 109.3° | 110.5° |
C3' | C4' | H4' | 109.7° | 109.8° |
OP3 | PB | S1B | 109.5° | 109.5° |
OP3 | PB | O3B | 109.6° | 109.5° |
S1B | PB | O3B | 109.3° | 109.5° |
PB | O3B | HOB3 | 109.5° | 114.0° |
O3' | C3' | H3' | 110.1° | 110.4° |
C3' | O3' | HO3' | 109.5° | 113.9° |
H5' | C5' | H5'' | 109.5° | 109.4° |
H22 | N2 | H21 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | N1 | C5 | 179.9° | 179.9° |
O6 | C6 | N1 | C2 | 179.9° | 179.9° |
O6 | C6 | C5 | N7 | 0.1° | 0.0° |
O6 | C6 | C5 | C4 | 179.8° | 179.7° |
O6 | C6 | N1 | HOP3 | 0.1° | 0.0° |
C6 | N1 | C2 | HOP3 | 180.0° | 179.9° |
N1 | C6 | C5 | N7 | 180.0° | 180.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.2° |
C6 | N1 | C2 | N2 | 180.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.1° |
C5 | C6 | N1 | C2 | 0.0° | 0.1° |
C6 | C5 | N7 | C4 | 179.9° | 179.8° |
C6 | C5 | N7 | C8 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.2° |
C6 | C5 | C4 | N9 | 179.9° | 179.8° |
C5 | C6 | N1 | HOP3 | 180.0° | 180.0° |
N1 | C2 | N2 | N3 | 180.0° | 179.8° |
N1 | C2 | N3 | C4 | 0.2° | 0.2° |
N1 | C2 | N2 | H22 | 180.0° | 179.9° |
N1 | C2 | N2 | H21 | 0.0° | 0.1° |
N7 | C5 | C4 | N3 | 179.9° | 180.0° |
N7 | C5 | C4 | N9 | 0.1° | 0.4° |
C5 | N7 | C8 | N9 | 0.0° | 0.0° |
C5 | N7 | C8 | H8 | 180.0° | 179.7° |
C4 | C5 | N7 | C8 | 0.1° | 0.2° |
C5 | C4 | N3 | C2 | 0.2° | 0.0° |
C5 | C4 | N3 | N9 | 179.7° | 179.5° |
C5 | C4 | N9 | C8 | 0.1° | 0.4° |
C5 | C4 | N9 | C1' | 179.6° | 179.7° |
N7 | C8 | N9 | C4 | 0.0° | 0.2° |
N7 | C8 | N9 | H8 | 180.0° | 179.7° |
N7 | C8 | N9 | C1' | 179.6° | 179.8° |
N2 | C2 | N3 | C4 | 179.9° | 180.0° |
C2 | N2 | H22 | H21 | 180.0° | 180.0° |
N2 | C2 | N1 | HOP3 | 0.0° | 0.1° |
C2 | N3 | C4 | N9 | 179.9° | 179.5° |
N3 | C2 | N2 | H22 | 0.0° | 0.1° |
N3 | C2 | N2 | H21 | 180.0° | 180.0° |
N3 | C2 | N1 | HOP3 | 180.0° | 179.7° |
N3 | C4 | N9 | C8 | 179.8° | 179.9° |
N3 | C4 | N9 | C1' | 0.1° | 0.1° |
C4 | N9 | C8 | C1' | 179.7° | 180.0° |
C4 | N9 | C1' | O4' | 154.2° | 156.4° |
C4 | N9 | C1' | C2' | 89.0° | 89.5° |
C4 | N9 | C1' | H1' | 28.5° | 33.5° |
C4 | N9 | C8 | H8 | 179.9° | 180.0° |
C8 | N9 | C1' | O4' | 26.2° | 23.6° |
C8 | N9 | C1' | C2' | 90.6° | 90.5° |
C8 | N9 | C1' | H1' | 151.9° | 146.5° |
N9 | C1' | O4' | C2' | 117.8° | 118.6° |
N9 | C1' | O4' | H1' | 124.3° | 123.0° |
N9 | C1' | C2' | H1' | 119.4° | 123.0° |
N9 | C1' | O4' | C4' | 136.5° | 158.6° |
N9 | C1' | C2' | O2' | 86.7° | 86.3° |
N9 | C1' | C2' | C3' | 154.7° | 155.5° |
N9 | C1' | C2' | H2' | 34.5° | 37.4° |
C1' | N9 | C8 | H8 | 0.4° | 0.1° |
OP1 | P | OP2 | O5' | 119.7° | 120.0° |
OP1 | P | OP2 | OP3 | 121.4° | 120.0° |
OP1 | P | O5' | OP3 | 120.2° | 120.0° |
OP1 | P | O5' | C5' | 111.5° | 55.0° |
OP1 | P | OP3 | PB | 0.1° | 45.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
O4' | C1' | C2' | H1' | 121.4° | 118.4° |
O4' | C1' | C2' | O2' | 154.1° | 155.2° |
O4' | C1' | C2' | C3' | 35.5° | 37.0° |
C1' | O4' | C4' | C5' | 119.5° | 145.8° |
C1' | O4' | C4' | C3' | 0.4° | 26.3° |
C1' | O4' | C4' | H4' | 117.4° | 93.1° |
O4' | C1' | C2' | H2' | 84.8° | 81.2° |
C2' | C1' | O4' | C4' | 18.6° | 39.9° |
C1' | C2' | O2' | C3' | 115.7° | 112.7° |
C1' | C2' | O2' | H2' | 119.2° | 123.7° |
C1' | C2' | C3' | H2' | 117.1° | 118.2° |
C1' | C2' | C3' | C4' | 32.5° | 21.0° |
C1' | C2' | C3' | O3' | 85.7° | 97.8° |
C1' | C2' | C3' | H3' | 151.0° | 139.7° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
O4' | C4' | C5' | O5' | 41.5° | 67.2° |
O4' | C4' | C3' | C2' | 22.7° | 1.9° |
O4' | C4' | C5' | C3' | 116.0° | 117.9° |
O4' | C4' | C5' | H4' | 121.0° | 121.2° |
O4' | C4' | C3' | H4' | 117.3° | 119.5° |
O4' | C4' | C3' | O3' | 95.4° | 120.7° |
O4' | C4' | C3' | H3' | 143.4° | 116.8° |
O4' | C4' | C5' | H5' | 78.3° | 172.8° |
O4' | C4' | C5' | H5'' | 161.3° | 52.9° |
C4' | O4' | C1' | H1' | 99.3° | 78.4° |
OP2 | P | O5' | OP3 | 119.9° | 120.0° |
OP2 | P | O5' | C5' | 128.5° | 65.0° |
OP2 | P | OP3 | PB | 120.9° | 75.0° |
P | O5' | C5' | C4' | 176.3° | 180.0° |
O5' | P | OP3 | PB | 119.7° | 165.0° |
P | O5' | C5' | H5' | 56.5° | 60.0° |
P | O5' | C5' | H5'' | 63.9° | 60.0° |
O5' | P | OP2 | HOP2 | 119.7° | 59.9° |
OP3 | P | O5' | C5' | 8.7° | 175.0° |
P | OP3 | PB | O2B | 24.6° | 180.0° |
P | OP3 | PB | S1B | 95.4° | 60.0° |
P | OP3 | PB | O3B | 144.7° | 60.0° |
OP3 | P | OP2 | HOP2 | 121.4° | 60.0° |
O5' | C5' | C4' | H5' | 119.8° | 120.0° |
O5' | C5' | C4' | H5'' | 119.8° | 120.0° |
O5' | C5' | C4' | C3' | 157.5° | 175.0° |
O5' | C5' | C4' | H4' | 79.5° | 54.0° |
O5' | C5' | H5' | H5'' | 120.7° | 120.0° |
O2B | PB | OP3 | S1B | 120.0° | 120.0° |
O2B | PB | OP3 | O3B | 120.1° | 120.0° |
O2B | PB | S1B | O3B | 119.9° | 120.0° |
O2B | PB | O3B | HOB3 | 119.9° | 60.0° |
O2' | C2' | C3' | H2' | 124.3° | 123.6° |
O2' | C2' | C3' | C4' | 151.2° | 139.2° |
O2' | C2' | C3' | O3' | 32.9° | 20.4° |
O2' | C2' | C3' | H3' | 90.4° | 102.1° |
O2' | C2' | C1' | H1' | 32.7° | 36.8° |
C2' | C3' | C4' | C5' | 95.5° | 121.4° |
C2' | C3' | C4' | O3' | 118.1° | 118.8° |
C2' | C3' | C4' | H3' | 120.7° | 118.7° |
C2' | C3' | O3' | H3' | 124.8° | 122.6° |
C2' | C3' | C4' | H4' | 140.0° | 117.6° |
C3' | C2' | C1' | H1' | 85.9° | 81.5° |
C2' | C3' | O3' | HO3' | 180.0° | 63.2° |
C3' | C2' | O2' | HO2' | 64.3° | 67.3° |
C5' | C4' | C3' | H4' | 124.5° | 121.0° |
C5' | C4' | C3' | O3' | 146.4° | 119.8° |
C5' | C4' | C3' | H3' | 25.2° | 2.7° |
C4' | C5' | H5' | H5'' | 120.6° | 120.0° |
C4' | C3' | O3' | H3' | 120.8° | 122.5° |
C3' | C4' | C5' | H5' | 37.7° | 55.0° |
C3' | C4' | C5' | H5'' | 82.7° | 65.0° |
C4' | C3' | C2' | H2' | 84.5° | 97.2° |
C4' | C3' | O3' | HO3' | 65.5° | 178.2° |
OP3 | PB | S1B | O3B | 120.1° | 120.0° |
OP3 | PB | O3B | HOB3 | 120.1° | 60.0° |
OP3 | PB | O2B | HOB2 | 24.0° | 180.0° |
S1B | PB | O3B | HOB3 | 0.0° | 180.0° |
S1B | PB | O2B | HOB2 | 96.1° | 60.0° |
O3B | PB | O2B | HOB2 | 144.1° | 60.0° |
O3' | C3' | C4' | H4' | 21.9° | 1.2° |
O3' | C3' | C2' | H2' | 157.2° | 144.0° |
H3' | C3' | C4' | H4' | 99.3° | 123.7° |
H3' | C3' | C2' | H2' | 33.9° | 21.5° |
H3' | C3' | O3' | HO3' | 55.2° | 59.3° |
H4' | C4' | C5' | H5' | 160.7° | 66.0° |
H4' | C4' | C5' | H5'' | 40.3° | 174.0° |
H1' | C1' | C2' | H2' | 153.9° | 160.4° |
H2' | C2' | O2' | HO2' | 60.8° | 56.3° |