4SU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.34Å | 1.37Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
N1 | C1' | sing | 1.47Å | 1.47Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
C2 | O2 | doub | 1.22Å | 1.21Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
C4 | C5 | sing | 1.41Å | 1.44Å | |
C4 | S4 | doub | 1.71Å | 1.29Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
O5' | P | sing | 1.61Å | 1.59Å | |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.59Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 120.8° | 120.6° |
C2 | N1 | C1' | 117.1° | 119.7° |
N1 | C2 | N3 | 115.4° | 120.9° |
N1 | C2 | O2 | 122.4° | 119.6° |
C6 | N1 | C1' | 122.1° | 119.7° |
N1 | C6 | C5 | 122.6° | 119.7° |
N1 | C6 | H6 | 120.1° | 120.2° |
N1 | C1' | C2' | 113.9° | 110.4° |
N1 | C1' | O4' | 108.8° | 110.5° |
N1 | C1' | H1' | 106.4° | 110.3° |
N3 | C2 | O2 | 122.2° | 119.5° |
C2 | N3 | C4 | 127.4° | 120.3° |
C2 | N3 | HN3 | 115.9° | 119.8° |
C4 | N3 | HN3 | 116.7° | 119.9° |
N3 | C4 | C5 | 114.0° | 119.4° |
N3 | C4 | S4 | 120.6° | 120.3° |
C5 | C4 | S4 | 125.4° | 120.2° |
C4 | C5 | C6 | 119.8° | 119.1° |
C4 | C5 | H5 | 123.5° | 120.4° |
C6 | C5 | H5 | 116.7° | 120.5° |
C5 | C6 | H6 | 117.3° | 120.2° |
C2' | C1' | O4' | 107.7° | 104.8° |
C2' | C1' | H1' | 107.5° | 110.4° |
C1' | C2' | O2' | 107.7° | 110.7° |
C1' | C2' | C3' | 101.9° | 104.1° |
C1' | C2' | H2' | 115.5° | 110.5° |
O4' | C1' | H1' | 112.7° | 110.3° |
C1' | O4' | C4' | 109.7° | 105.4° |
O2' | C2' | C3' | 110.0° | 110.5° |
O2' | C2' | H2' | 108.1° | 110.5° |
C2' | O2' | HO2' | 107.7° | 106.9° |
C3' | C2' | H2' | 113.4° | 110.5° |
C2' | C3' | C4' | 102.7° | 104.2° |
C2' | C3' | O3' | 110.4° | 110.5° |
C2' | C3' | H3' | 113.1° | 110.5° |
C4' | C3' | O3' | 109.1° | 110.5° |
C4' | C3' | H3' | 114.3° | 110.5° |
C3' | C4' | O4' | 104.5° | 104.7° |
C3' | C4' | C5' | 114.2° | 110.7° |
C3' | C4' | H4' | 109.7° | 110.3° |
O3' | C3' | H3' | 107.2° | 110.4° |
C3' | O3' | HO3' | 110.4° | 106.8° |
O4' | C4' | C5' | 109.1° | 110.4° |
O4' | C4' | H4' | 114.6° | 110.4° |
C5' | C4' | H4' | 105.0° | 110.3° |
C4' | C5' | O5' | 109.1° | 109.5° |
C4' | C5' | H5' | 112.3° | 109.5° |
C4' | C5' | H5'' | 112.4° | 109.5° |
O5' | C5' | H5' | 112.4° | 109.4° |
O5' | C5' | H5'' | 112.4° | 109.5° |
C5' | O5' | P | 121.8° | 106.8° |
H5' | C5' | H5'' | 98.1° | 109.5° |
O5' | P | OP1 | 106.0° | 109.5° |
O5' | P | OP2 | 109.6° | 109.5° |
O5' | P | OP3 | 104.3° | 109.5° |
OP1 | P | OP2 | 119.9° | 109.4° |
OP1 | P | OP3 | 107.2° | 109.5° |
OP2 | P | OP3 | 108.7° | 109.5° |
P | OP2 | HOP2 | 109.6° | 106.8° |
P | OP3 | HOP3 | 104.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 179.9° | 179.7° |
N1 | C2 | N3 | O2 | 179.9° | 179.5° |
N1 | C2 | N3 | C4 | 0.2° | 0.5° |
N1 | C2 | N3 | HN3 | 179.9° | 179.7° |
C2 | N1 | C6 | C5 | 0.2° | 0.3° |
C2 | N1 | C6 | H6 | 179.7° | 179.7° |
C2 | N1 | C1' | C2' | 80.2° | 60.3° |
C2 | N1 | C1' | O4' | 159.6° | 55.2° |
C2 | N1 | C1' | H1' | 38.0° | 177.4° |
C6 | N1 | C2 | N3 | 0.2° | 0.5° |
C6 | N1 | C2 | O2 | 179.8° | 180.0° |
N1 | C6 | C5 | C4 | 0.3° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | H5 | 179.7° | 180.0° |
C6 | N1 | C1' | C2' | 99.8° | 120.0° |
C6 | N1 | C1' | O4' | 20.3° | 124.6° |
C6 | N1 | C1' | H1' | 141.9° | 2.3° |
C1' | N1 | C2 | N3 | 179.9° | 179.8° |
C1' | N1 | C2 | O2 | 0.2° | 0.3° |
C1' | N1 | C6 | C5 | 179.8° | 180.0° |
C1' | N1 | C6 | H6 | 0.2° | 0.0° |
N1 | C1' | C2' | O4' | 120.7° | 118.9° |
N1 | C1' | C2' | H1' | 117.6° | 122.3° |
N1 | C1' | O4' | H1' | 117.7° | 122.3° |
N1 | C1' | C2' | O2' | 147.0° | 98.4° |
N1 | C1' | C2' | C3' | 97.2° | 142.9° |
N1 | C1' | C2' | H2' | 26.1° | 24.3° |
N1 | C1' | O4' | C4' | 121.9° | 159.3° |
C2 | N3 | C4 | HN3 | 179.9° | 179.8° |
C2 | N3 | C4 | C5 | 0.3° | 0.2° |
C2 | N3 | C4 | S4 | 179.5° | 179.7° |
O2 | C2 | N3 | C4 | 179.7° | 180.0° |
O2 | C2 | N3 | HN3 | 0.2° | 0.2° |
N3 | C4 | C5 | S4 | 179.7° | 179.9° |
N3 | C4 | C5 | C6 | 0.3° | 0.0° |
N3 | C4 | C5 | H5 | 179.7° | 180.0° |
HN3 | N3 | C4 | C5 | 179.8° | 180.0° |
HN3 | N3 | C4 | S4 | 0.5° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.6° | 180.0° |
S4 | C4 | C5 | C6 | 179.4° | 179.9° |
S4 | C4 | C5 | H5 | 0.6° | 0.1° |
H5 | C5 | C6 | H6 | 0.4° | 0.0° |
C2' | C1' | O4' | H1' | 118.4° | 118.8° |
C1' | C2' | O2' | C3' | 110.3° | 114.8° |
C1' | C2' | O2' | H2' | 125.4° | 122.7° |
C1' | C2' | C3' | H2' | 124.7° | 118.6° |
C1' | C2' | O2' | HO2' | 179.9° | 176.2° |
C1' | C2' | C3' | C4' | 34.9° | 0.1° |
C1' | C2' | C3' | O3' | 151.1° | 118.7° |
C1' | C2' | C3' | H3' | 88.8° | 118.8° |
C2' | C1' | O4' | C4' | 2.0° | 40.4° |
O4' | C1' | C2' | O2' | 92.2° | 142.7° |
O4' | C1' | C2' | C3' | 23.5° | 24.0° |
O4' | C1' | C2' | H2' | 146.9° | 94.6° |
C1' | O4' | C4' | C3' | 20.7° | 40.3° |
C1' | O4' | C4' | C5' | 143.2° | 159.4° |
C1' | O4' | C4' | H4' | 99.3° | 78.3° |
H1' | C1' | C2' | O2' | 29.5° | 23.9° |
H1' | C1' | C2' | C3' | 145.2° | 94.8° |
H1' | C1' | C2' | H2' | 91.5° | 146.6° |
H1' | C1' | O4' | C4' | 120.4° | 78.4° |
O2' | C2' | C3' | H2' | 121.2° | 122.5° |
O2' | C2' | C3' | C4' | 79.1° | 118.9° |
O2' | C2' | C3' | O3' | 37.1° | 0.2° |
O2' | C2' | C3' | H3' | 157.2° | 122.4° |
C3' | C2' | O2' | HO2' | 69.7° | 61.4° |
C2' | C3' | C4' | O3' | 117.2° | 118.7° |
C2' | C3' | C4' | H3' | 122.9° | 118.7° |
C2' | C3' | O3' | H3' | 123.6° | 122.6° |
C2' | C3' | C4' | O4' | 34.8° | 23.8° |
C2' | C3' | C4' | C5' | 153.9° | 142.8° |
C2' | C3' | C4' | H4' | 88.5° | 94.9° |
C2' | C3' | O3' | HO3' | 179.9° | 63.3° |
H2' | C2' | O2' | HO2' | 54.6° | 61.1° |
H2' | C2' | C3' | C4' | 159.7° | 118.5° |
H2' | C2' | C3' | O3' | 84.1° | 122.7° |
H2' | C2' | C3' | H3' | 36.0° | 0.2° |
C4' | C3' | O3' | H3' | 124.3° | 122.6° |
C3' | C4' | O4' | C5' | 122.5° | 119.1° |
C3' | C4' | O4' | H4' | 120.0° | 118.6° |
C3' | C4' | C5' | H4' | 120.2° | 122.3° |
C4' | C3' | O3' | HO3' | 67.8° | 178.1° |
C3' | C4' | C5' | O5' | 58.6° | 176.9° |
C3' | C4' | C5' | H5' | 176.1° | 63.2° |
C3' | C4' | C5' | H5'' | 66.7° | 56.9° |
O3' | C3' | C4' | O4' | 151.9° | 142.5° |
O3' | C3' | C4' | C5' | 89.0° | 98.5° |
O3' | C3' | C4' | H4' | 28.6° | 23.8° |
H3' | C3' | C4' | O4' | 88.1° | 94.9° |
H3' | C3' | C4' | C5' | 31.0° | 24.0° |
H3' | C3' | C4' | H4' | 148.6° | 146.4° |
H3' | C3' | O3' | HO3' | 56.5° | 59.3° |
O4' | C4' | C5' | H4' | 123.4° | 122.3° |
O4' | C4' | C5' | O5' | 57.9° | 61.5° |
O4' | C4' | C5' | H5' | 67.4° | 178.6° |
O4' | C4' | C5' | H5'' | 176.8° | 58.5° |
C4' | C5' | O5' | H5' | 125.2° | 120.0° |
C4' | C5' | O5' | H5'' | 125.3° | 120.0° |
C4' | C5' | H5' | H5'' | 118.3° | 120.0° |
C4' | C5' | O5' | P | 156.7° | 180.0° |
H4' | C4' | C5' | O5' | 178.8° | 60.8° |
H4' | C4' | C5' | H5' | 56.0° | 59.1° |
H4' | C4' | C5' | H5'' | 53.5° | 179.2° |
O5' | C5' | H5' | H5'' | 118.3° | 120.0° |
C5' | O5' | P | OP1 | 171.9° | 60.0° |
C5' | O5' | P | OP2 | 41.1° | 180.0° |
C5' | O5' | P | OP3 | 75.1° | 60.0° |
H5' | C5' | O5' | P | 78.0° | 60.0° |
H5'' | C5' | O5' | P | 31.4° | 60.0° |
O5' | P | OP1 | OP2 | 124.6° | 120.0° |
O5' | P | OP1 | OP3 | 111.0° | 120.0° |
O5' | P | OP2 | OP3 | 113.4° | 120.0° |
O5' | P | OP2 | HOP2 | 179.9° | 180.0° |
O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
OP1 | P | OP2 | OP3 | 123.7° | 120.0° |
OP1 | P | OP2 | HOP2 | 57.2° | 60.0° |
OP1 | P | OP3 | HOP3 | 67.8° | 180.0° |
OP2 | P | OP3 | HOP3 | 63.2° | 60.0° |
OP3 | P | OP2 | HOP2 | 66.5° | 60.0° |