S4C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.42Å | 1.35Å | |
N1 | C1' | sing | 1.44Å | 1.48Å | |
N1 | C6 | sing | 1.39Å | 1.37Å | |
C2 | O2 | doub | 1.23Å | 1.24Å | |
C2 | N3 | sing | 1.38Å | 1.33Å | |
N3 | C4 | doub | 1.31Å | 1.32Å | |
C1' | C2' | sing | 1.53Å | 1.52Å | |
C1' | S4' | sing | 1.82Å | 1.83Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C4 | N4 | sing | 1.38Å | 1.32Å | |
C4 | C5 | sing | 1.49Å | 1.39Å | |
N4 | H41 | sing | 0.99Å | 1.00Å | |
N4 | H42 | sing | 0.99Å | 1.01Å | |
C5 | C6 | doub | 1.33Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.42Å | 1.39Å | |
C2' | C3' | sing | 1.53Å | 1.50Å | |
C2' | H1 | sing | 1.10Å | 1.12Å | |
O2' | H2' | sing | 0.97Å | 0.96Å | |
C3' | O3' | sing | 1.43Å | 1.39Å | |
C3' | C4' | sing | 1.53Å | 1.59Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | H2 | sing | 0.97Å | 0.95Å | |
C4' | S4' | sing | 1.83Å | 1.85Å | |
C4' | C5' | sing | 1.52Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
OP1 | P | sing | 1.62Å | 1.50Å | |
OP1 | H1P | sing | 0.98Å | 0.95Å | |
C5' | O5' | sing | 1.42Å | 1.41Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
O5' | P | sing | 1.62Å | 1.55Å | |
OP2 | P | sing | 1.62Å | 1.47Å | |
OP2 | H2P | sing | 0.98Å | 0.95Å | |
P | OP3 | doub | 1.50Å | 23.32Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C1' | 112.8° | 122.1° |
C2 | N1 | C6 | 122.2° | 119.3° |
N1 | C2 | O2 | 120.3° | 120.9° |
N1 | C2 | N3 | 117.6° | 118.9° |
C1' | N1 | C6 | 125.0° | 118.7° |
N1 | C1' | C2' | 114.4° | 112.4° |
N1 | C1' | S4' | 106.2° | 110.5° |
N1 | C1' | H1' | 105.8° | 107.0° |
N1 | C6 | C5 | 119.8° | 122.8° |
N1 | C6 | H6 | 121.4° | 116.1° |
O2 | C2 | N3 | 122.2° | 120.2° |
C2 | N3 | C4 | 121.7° | 121.1° |
N3 | C4 | N4 | 118.1° | 120.2° |
N3 | C4 | C5 | 121.8° | 121.6° |
C2' | C1' | S4' | 99.4° | 105.1° |
C2' | C1' | H1' | 111.9° | 112.0° |
C1' | C2' | O2' | 111.3° | 109.9° |
C1' | C2' | C3' | 107.5° | 107.0° |
C1' | C2' | H1 | 108.8° | 111.3° |
S4' | C1' | H1' | 119.4° | 109.8° |
C1' | S4' | C4' | 104.9° | 96.0° |
N4 | C4 | C5 | 120.0° | 118.2° |
C4 | N4 | H41 | 120.5° | 118.0° |
C4 | N4 | H42 | 119.5° | 118.0° |
C4 | C5 | C6 | 117.0° | 116.4° |
C4 | C5 | H5 | 123.3° | 120.5° |
H41 | N4 | H42 | 120.0° | 123.9° |
C6 | C5 | H5 | 119.7° | 123.1° |
C5 | C6 | H6 | 118.8° | 121.2° |
O2' | C2' | C3' | 107.1° | 110.4° |
O2' | C2' | H1 | 109.3° | 107.8° |
C2' | O2' | H2' | 107.6° | 106.8° |
C3' | C2' | H1 | 112.9° | 110.4° |
C2' | C3' | O3' | 108.9° | 110.5° |
C2' | C3' | C4' | 111.9° | 107.1° |
C2' | C3' | H3' | 108.9° | 111.5° |
O3' | C3' | C4' | 111.4° | 108.5° |
O3' | C3' | H3' | 109.4° | 106.7° |
C3' | O3' | H2 | 108.9° | 106.3° |
C4' | C3' | H3' | 106.3° | 112.5° |
C3' | C4' | S4' | 90.1° | 104.3° |
C3' | C4' | C5' | 106.3° | 113.1° |
C3' | C4' | H4' | 122.1° | 111.6° |
S4' | C4' | C5' | 107.9° | 109.5° |
S4' | C4' | H4' | 120.8° | 108.5° |
C5' | C4' | H4' | 107.8° | 109.6° |
C4' | C5' | O5' | 110.6° | 108.6° |
C4' | C5' | H5' | 111.8° | 110.1° |
C4' | C5' | H5'' | 111.8° | 110.0° |
P | OP1 | H1P | 110.5° | 118.9° |
OP1 | P | O5' | 110.5° | 103.7° |
OP1 | P | OP2 | 118.4° | 103.3° |
OP1 | P | OP3 | 26.9° | 115.3° |
O5' | C5' | H5' | 111.8° | 109.2° |
O5' | C5' | H5'' | 111.8° | 109.2° |
C5' | O5' | P | 128.7° | 118.5° |
H5' | C5' | H5'' | 98.6° | 109.7° |
O5' | P | OP2 | 111.3° | 102.9° |
O5' | P | OP3 | 126.3° | 115.0° |
P | OP2 | H2P | 118.5° | 119.0° |
OP2 | P | OP3 | 91.6° | 115.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C1' | C6 | 177.9° | 179.9° |
N1 | C2 | O2 | N3 | 178.5° | 179.9° |
N1 | C2 | N3 | C4 | 0.2° | 0.1° |
C2 | N1 | C1' | C2' | 94.4° | 123.3° |
C2 | N1 | C1' | S4' | 157.0° | 119.6° |
C2 | N1 | C1' | H1' | 29.2° | 0.1° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
C2 | N1 | C6 | H6 | 180.0° | 180.0° |
C1' | N1 | C2 | O2 | 0.2° | 0.0° |
C1' | N1 | C2 | N3 | 178.4° | 180.0° |
N1 | C1' | C2' | S4' | 112.6° | 120.3° |
N1 | C1' | C2' | H1' | 120.2° | 120.5° |
N1 | C1' | S4' | H1' | 119.2° | 117.8° |
C1' | N1 | C6 | C5 | 177.7° | 180.0° |
C1' | N1 | C6 | H6 | 2.3° | 0.1° |
N1 | C1' | C2' | O2' | 159.6° | 83.0° |
N1 | C1' | C2' | C3' | 83.4° | 157.0° |
N1 | C1' | C2' | H1 | 39.2° | 36.3° |
N1 | C1' | S4' | C4' | 118.6° | 134.5° |
C6 | N1 | C2 | O2 | 178.1° | 179.9° |
C6 | N1 | C2 | N3 | 0.5° | 0.1° |
C6 | N1 | C1' | C2' | 87.7° | 56.6° |
C6 | N1 | C1' | S4' | 20.8° | 60.5° |
C6 | N1 | C1' | H1' | 148.7° | 180.0° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | H5 | 179.4° | 179.9° |
O2 | C2 | N3 | C4 | 178.3° | 179.9° |
C2 | N3 | C4 | N4 | 176.6° | 180.0° |
C2 | N3 | C4 | C5 | 0.5° | 0.1° |
N3 | C4 | N4 | C5 | 177.1° | 179.9° |
N3 | C4 | N4 | H41 | 172.9° | 15.3° |
N3 | C4 | N4 | H42 | 7.0° | 164.9° |
N3 | C4 | C5 | C6 | 0.9° | 0.1° |
N3 | C4 | C5 | H5 | 179.1° | 179.9° |
C2' | C1' | S4' | H1' | 121.8° | 120.7° |
C1' | C2' | O2' | C3' | 117.3° | 117.8° |
C1' | C2' | O2' | H1 | 120.2° | 121.5° |
C1' | C2' | C3' | H1 | 120.0° | 121.3° |
C1' | C2' | O2' | H2' | 179.0° | 148.1° |
C1' | C2' | C3' | O3' | 179.4° | 68.7° |
C1' | C2' | C3' | C4' | 57.0° | 49.3° |
C1' | C2' | C3' | H3' | 60.2° | 172.8° |
C2' | C1' | S4' | C4' | 0.4° | 13.0° |
S4' | C1' | C2' | O2' | 87.8° | 156.7° |
S4' | C1' | C2' | C3' | 29.2° | 36.8° |
S4' | C1' | C2' | H1 | 151.8° | 84.0° |
C1' | S4' | C4' | C3' | 25.4° | 13.9° |
C1' | S4' | C4' | C5' | 132.6° | 107.4° |
C1' | S4' | C4' | H4' | 102.9° | 133.1° |
H1' | C1' | C2' | O2' | 39.4° | 37.5° |
H1' | C1' | C2' | C3' | 156.3° | 82.4° |
H1' | C1' | C2' | H1 | 81.1° | 156.8° |
H1' | C1' | S4' | C4' | 122.2° | 107.7° |
C4 | N4 | H41 | H42 | 179.9° | 179.9° |
N4 | C4 | C5 | C6 | 176.1° | 179.9° |
N4 | C4 | C5 | H5 | 3.9° | 0.1° |
C5 | C4 | N4 | H41 | 10.0° | 164.9° |
C5 | C4 | N4 | H42 | 170.1° | 15.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.4° | 180.0° |
H5 | C5 | C6 | H6 | 0.6° | 0.0° |
O2' | C2' | C3' | H1 | 120.3° | 119.1° |
O2' | C2' | C3' | O3' | 60.8° | 50.9° |
O2' | C2' | C3' | C4' | 62.7° | 169.0° |
O2' | C2' | C3' | H3' | 180.0° | 67.6° |
C3' | C2' | O2' | H2' | 61.7° | 30.3° |
C2' | C3' | O3' | C4' | 123.9° | 117.2° |
C2' | C3' | O3' | H3' | 118.9° | 121.4° |
C2' | C3' | C4' | H3' | 118.7° | 122.9° |
C2' | C3' | O3' | H2 | 179.9° | 146.1° |
C2' | C3' | C4' | S4' | 48.1° | 37.4° |
C2' | C3' | C4' | C5' | 156.8° | 81.5° |
C2' | C3' | C4' | H4' | 79.3° | 154.3° |
H1 | C2' | O2' | H2' | 60.9° | 90.4° |
H1 | C2' | C3' | O3' | 59.4° | 170.0° |
H1 | C2' | C3' | C4' | 177.0° | 71.9° |
H1 | C2' | C3' | H3' | 59.8° | 51.5° |
O3' | C3' | C4' | H3' | 119.1° | 117.8° |
O3' | C3' | C4' | S4' | 170.2° | 82.0° |
O3' | C3' | C4' | C5' | 81.1° | 159.1° |
O3' | C3' | C4' | H4' | 42.9° | 35.0° |
C4' | C3' | O3' | H2 | 56.2° | 96.8° |
C3' | C4' | S4' | C5' | 107.2° | 121.3° |
C3' | C4' | S4' | H4' | 128.3° | 119.1° |
C3' | C4' | C5' | H4' | 132.5° | 125.2° |
C3' | C4' | C5' | O5' | 45.3° | 179.5° |
C3' | C4' | C5' | H5' | 170.6° | 60.0° |
C3' | C4' | C5' | H5'' | 79.9° | 61.0° |
H3' | C3' | O3' | H2 | 61.1° | 24.6° |
H3' | C3' | C4' | S4' | 70.7° | 160.2° |
H3' | C3' | C4' | C5' | 38.0° | 41.3° |
H3' | C3' | C4' | H4' | 162.0° | 82.8° |
S4' | C4' | C5' | H4' | 132.0° | 118.9° |
S4' | C4' | C5' | O5' | 50.2° | 63.7° |
S4' | C4' | C5' | H5' | 75.0° | 55.8° |
S4' | C4' | C5' | H5'' | 175.5° | 176.9° |
C4' | C5' | O5' | H5' | 125.3° | 120.1° |
C4' | C5' | O5' | H5'' | 125.2° | 120.0° |
C4' | C5' | H5' | H5'' | 117.7° | 121.2° |
C4' | C5' | O5' | P | 170.4° | 180.0° |
H4' | C4' | C5' | O5' | 177.8° | 55.2° |
H4' | C4' | C5' | H5' | 57.0° | 174.7° |
H4' | C4' | C5' | H5'' | 52.5° | 64.3° |
OP1 | P | O5' | C5' | 174.5° | 53.2° |
OP1 | P | O5' | OP2 | 133.8° | 107.4° |
OP1 | P | O5' | OP3 | 24.9° | 126.8° |
OP1 | P | OP2 | OP3 | 0.6° | 126.5° |
OP1 | P | OP2 | H2P | 180.0° | 78.5° |
H1P | OP1 | P | O5' | 180.0° | 175.4° |
H1P | OP1 | P | OP2 | 49.9° | 77.5° |
H1P | OP1 | P | OP3 | 48.6° | 48.8° |
O5' | C5' | H5' | H5'' | 117.7° | 119.6° |
C5' | O5' | P | OP2 | 40.8° | 54.2° |
C5' | O5' | P | OP3 | 149.7° | 180.0° |
H5' | C5' | O5' | P | 45.1° | 59.9° |
H5'' | C5' | O5' | P | 64.4° | 60.0° |
O5' | P | OP2 | OP3 | 130.3° | 125.8° |
O5' | P | OP2 | H2P | 50.3° | 173.8° |
H2P | OP2 | P | OP3 | 179.4° | 48.0° |