SUR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | sing | 1.62Å | 1.49Å | |
P | OP2 | doub | 1.50Å | 1.49Å | |
P | OP3 | sing | 1.62Å | 1.60Å | |
P | O5' | sing | 1.62Å | 1.60Å | |
OP1 | HOP1 | sing | 0.98Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | C2' | sing | 1.51Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C1' | N1 | sing | 1.43Å | 1.47Å | |
C1' | C2' | sing | 1.52Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N1 | C6 | sing | 1.40Å | 1.39Å | |
N1 | C2 | sing | 1.42Å | 1.37Å | |
C2' | O2' | sing | 1.41Å | 1.41Å | |
C2' | H2' | sing | 1.10Å | 1.11Å | |
C6 | C5 | doub | 1.33Å | 1.34Å | |
C6 | HC6 | sing | 1.09Å | 1.10Å | |
C2 | S2 | doub | 1.68Å | 1.68Å | |
C2 | N3 | sing | 1.40Å | 1.36Å | |
C5 | C4 | sing | 1.47Å | 1.44Å | |
C5 | HC5 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.38Å | 1.39Å | |
N3 | HN3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.23Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
O3' | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.6° | 115.3° |
OP1 | P | OP3 | 107.6° | 103.3° |
OP1 | P | O5' | 109.0° | 103.8° |
P | OP1 | HOP1 | 119.5° | 119.0° |
OP2 | P | OP3 | 107.5° | 114.9° |
OP2 | P | O5' | 108.5° | 115.0° |
OP3 | P | O5' | 103.4° | 102.9° |
P | OP3 | HOP3 | 109.5° | 119.0° |
P | O5' | C5' | 119.8° | 118.5° |
O5' | C5' | C4' | 111.3° | 108.6° |
O5' | C5' | H5'1 | 111.6° | 109.2° |
O5' | C5' | H5'2 | 111.6° | 109.3° |
C4' | C5' | H5'1 | 111.5° | 110.1° |
C4' | C5' | H5'2 | 111.5° | 110.1° |
C5' | C4' | O4' | 107.7° | 108.2° |
C5' | C4' | C3' | 116.9° | 113.3° |
C5' | C4' | H4' | 104.4° | 109.3° |
H5'1 | C5' | H5'2 | 98.8° | 109.6° |
O4' | C4' | C3' | 105.4° | 105.9° |
O4' | C4' | H4' | 116.1° | 107.7° |
C4' | O4' | C1' | 109.6° | 109.2° |
C3' | C4' | H4' | 106.8° | 112.2° |
C4' | C3' | C2' | 102.2° | 102.1° |
C4' | C3' | O3' | 106.8° | 107.9° |
C4' | C3' | H3' | 115.4° | 114.5° |
O4' | C1' | N1 | 108.4° | 109.0° |
O4' | C1' | C2' | 106.1° | 106.5° |
O4' | C1' | H1' | 115.8° | 108.9° |
C2' | C3' | O3' | 108.5° | 110.3° |
C2' | C3' | H3' | 113.8° | 114.0° |
C3' | C2' | C1' | 100.4° | 102.0° |
C3' | C2' | O2' | 113.1° | 112.3° |
C3' | C2' | H2' | 113.6° | 110.1° |
O3' | C3' | H3' | 109.7° | 107.8° |
C3' | O3' | HO3 | 106.9° | 106.4° |
N1 | C1' | C2' | 117.9° | 112.5° |
N1 | C1' | H1' | 103.4° | 107.3° |
C1' | N1 | C6 | 122.8° | 116.8° |
C1' | N1 | C2 | 116.6° | 125.1° |
C2' | C1' | H1' | 105.8° | 112.6° |
C1' | C2' | O2' | 110.9° | 112.6° |
C1' | C2' | H2' | 115.7° | 111.1° |
C6 | N1 | C2 | 120.6° | 118.1° |
N1 | C6 | C5 | 122.5° | 125.1° |
N1 | C6 | HC6 | 120.5° | 114.9° |
N1 | C2 | S2 | 122.9° | 125.9° |
N1 | C2 | N3 | 116.3° | 116.2° |
O2' | C2' | H2' | 103.5° | 108.6° |
C2' | O2' | HO2 | 113.2° | 107.1° |
C5 | C6 | HC6 | 117.0° | 120.0° |
C6 | C5 | C4 | 119.6° | 119.3° |
C6 | C5 | HC5 | 116.7° | 121.9° |
S2 | C2 | N3 | 120.7° | 117.9° |
C2 | N3 | C4 | 126.5° | 126.9° |
C2 | N3 | HN3 | 115.6° | 116.5° |
C4 | C5 | HC5 | 123.6° | 118.8° |
C5 | C4 | N3 | 114.4° | 114.5° |
C5 | C4 | O4 | 126.4° | 120.9° |
C4 | N3 | HN3 | 117.9° | 116.6° |
N3 | C4 | O4 | 119.1° | 124.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 122.9° | 120.0° |
OP1 | P | OP2 | O5' | 125.9° | 120.7° |
OP1 | P | OP3 | O5' | 115.3° | 107.7° |
OP1 | P | OP3 | HOP3 | 163.0° | 78.5° |
OP1 | P | O5' | C5' | 155.4° | 53.2° |
OP2 | P | OP3 | O5' | 114.7° | 125.8° |
OP2 | P | OP1 | HOP1 | 180.0° | 48.7° |
OP2 | P | OP3 | HOP3 | 67.0° | 48.0° |
OP2 | P | O5' | C5' | 72.8° | 179.9° |
OP3 | P | OP1 | HOP1 | 57.1° | 77.5° |
OP3 | P | O5' | C5' | 41.2° | 54.2° |
O5' | P | OP1 | HOP1 | 54.4° | 175.4° |
O5' | P | OP3 | HOP3 | 47.7° | 173.8° |
P | O5' | C5' | C4' | 177.5° | 180.0° |
P | O5' | C5' | H5'1 | 52.2° | 59.9° |
P | O5' | C5' | H5'2 | 57.3° | 59.9° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.5° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.6° |
O5' | C5' | H5'1 | H5'2 | 117.5° | 119.6° |
O5' | C5' | C4' | O4' | 179.3° | 62.4° |
O5' | C5' | C4' | C3' | 62.3° | 179.5° |
O5' | C5' | C4' | H4' | 55.4° | 54.6° |
C4' | C5' | H5'1 | H5'2 | 117.3° | 121.2° |
C5' | C4' | O4' | C3' | 125.5° | 121.7° |
C5' | C4' | O4' | H4' | 116.6° | 118.1° |
C5' | C4' | C3' | H4' | 116.4° | 124.4° |
C5' | C4' | O4' | C1' | 119.4° | 109.0° |
C5' | C4' | C3' | C2' | 90.8° | 86.9° |
C5' | C4' | C3' | O3' | 155.3° | 156.8° |
C5' | C4' | C3' | H3' | 33.2° | 36.8° |
H5'1 | C5' | C4' | O4' | 54.0° | 57.1° |
H5'1 | C5' | C4' | C3' | 172.3° | 60.0° |
H5'1 | C5' | C4' | H4' | 70.0° | 174.1° |
H5'2 | C5' | C4' | O4' | 55.4° | 178.0° |
H5'2 | C5' | C4' | C3' | 63.0° | 60.9° |
H5'2 | C5' | C4' | H4' | 179.4° | 65.0° |
O4' | C4' | C3' | H4' | 124.0° | 117.2° |
O4' | C4' | C3' | C2' | 28.8° | 31.5° |
O4' | C4' | C3' | O3' | 85.0° | 84.7° |
O4' | C4' | C3' | H3' | 152.8° | 155.2° |
C4' | O4' | C1' | N1 | 146.9° | 132.9° |
C4' | O4' | C1' | C2' | 19.4° | 11.3° |
C4' | O4' | C1' | H1' | 97.6° | 110.3° |
C3' | C4' | O4' | C1' | 6.1° | 12.8° |
C4' | C3' | C2' | O3' | 112.6° | 114.5° |
C4' | C3' | C2' | H3' | 125.0° | 124.0° |
C4' | C3' | O3' | H3' | 125.7° | 124.2° |
C4' | C3' | C2' | C1' | 38.9° | 37.1° |
C4' | C3' | C2' | O2' | 157.0° | 158.0° |
C4' | C3' | C2' | H2' | 85.3° | 80.9° |
C4' | C3' | O3' | HO3 | 179.9° | 15.2° |
H4' | C4' | O4' | C1' | 124.0° | 133.0° |
H4' | C4' | C3' | C2' | 152.8° | 148.7° |
H4' | C4' | C3' | O3' | 38.9° | 32.5° |
H4' | C4' | C3' | H3' | 83.2° | 87.6° |
O4' | C1' | C2' | C3' | 36.6° | 30.7° |
O4' | C1' | N1 | C2' | 120.4° | 117.9° |
O4' | C1' | N1 | H1' | 123.4° | 117.7° |
O4' | C1' | C2' | H1' | 123.5° | 119.3° |
O4' | C1' | N1 | C6 | 87.8° | 32.3° |
O4' | C1' | N1 | C2 | 91.7° | 147.6° |
O4' | C1' | C2' | O2' | 156.4° | 151.3° |
O4' | C1' | C2' | H2' | 86.1° | 86.6° |
C2' | C3' | O3' | H3' | 124.8° | 125.1° |
C3' | C2' | C1' | N1 | 158.2° | 150.0° |
C3' | C2' | C1' | O2' | 119.8° | 120.6° |
C3' | C2' | C1' | H2' | 122.7° | 117.3° |
C3' | C2' | C1' | H1' | 86.9° | 88.5° |
C3' | C2' | O2' | H2' | 123.4° | 122.0° |
C3' | C2' | O2' | HO2 | 179.9° | 168.8° |
C2' | C3' | O3' | HO3 | 70.4° | 95.6° |
O3' | C3' | C2' | C1' | 73.8° | 77.4° |
O3' | C3' | C2' | O2' | 44.4° | 43.5° |
O3' | C3' | C2' | H2' | 162.1° | 164.6° |
H3' | C3' | C2' | C1' | 163.9° | 161.1° |
H3' | C3' | C2' | O2' | 77.9° | 78.0° |
H3' | C3' | C2' | H2' | 39.8° | 43.1° |
H3' | C3' | O3' | HO3 | 54.4° | 139.4° |
N1 | C1' | C2' | H1' | 114.9° | 121.4° |
C1' | N1 | C6 | C2 | 179.5° | 179.9° |
N1 | C1' | C2' | O2' | 82.0° | 89.4° |
N1 | C1' | C2' | H2' | 35.5° | 32.7° |
C1' | N1 | C6 | C5 | 179.4° | 179.9° |
C1' | N1 | C6 | HC6 | 0.6° | 0.0° |
C1' | N1 | C2 | S2 | 0.3° | 0.1° |
C1' | N1 | C2 | N3 | 179.5° | 180.0° |
C2' | C1' | N1 | C6 | 32.6° | 85.6° |
C2' | C1' | N1 | C2 | 147.9° | 94.5° |
C1' | C2' | O2' | H2' | 124.7° | 123.5° |
C1' | C2' | O2' | HO2 | 68.1° | 54.3° |
H1' | C1' | N1 | C6 | 148.8° | 150.0° |
H1' | C1' | N1 | C2 | 31.7° | 29.9° |
H1' | C1' | C2' | O2' | 32.9° | 32.1° |
H1' | C1' | C2' | H2' | 150.4° | 154.2° |
N1 | C6 | C5 | HC6 | 180.0° | 180.0° |
C6 | N1 | C2 | S2 | 179.8° | 179.9° |
C6 | N1 | C2 | N3 | 0.0° | 0.1° |
N1 | C6 | C5 | C4 | 0.2° | 0.0° |
N1 | C6 | C5 | HC5 | 179.8° | 180.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.1° |
C2 | N1 | C6 | HC6 | 179.9° | 179.9° |
N1 | C2 | S2 | N3 | 179.8° | 180.0° |
N1 | C2 | N3 | C4 | 0.0° | 0.1° |
N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
H2' | C2' | O2' | HO2 | 56.6° | 69.2° |
C6 | C5 | C4 | HC5 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.0° |
C6 | C5 | C4 | O4 | 178.0° | 180.0° |
HC6 | C6 | C5 | C4 | 179.8° | 180.0° |
HC6 | C6 | C5 | HC5 | 0.2° | 0.1° |
S2 | C2 | N3 | C4 | 179.9° | 180.0° |
S2 | C2 | N3 | HN3 | 0.1° | 0.0° |
C2 | N3 | C4 | C5 | 0.2° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | O4 | 178.2° | 180.0° |
C5 | C4 | N3 | O4 | 178.4° | 180.0° |
C5 | C4 | N3 | HN3 | 179.9° | 180.0° |
HC5 | C5 | C4 | N3 | 179.8° | 180.0° |
HC5 | C5 | C4 | O4 | 2.0° | 0.0° |
HN3 | N3 | C4 | O4 | 1.7° | 0.0° |