D00
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP2 | P | doub | 1.48Å | 1.48Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.55Å | 1.50Å | |
O5' | P | sing | 1.61Å | 1.61Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
OP1 | P | sing | 1.61Å | 1.48Å | |
C6 | C5 | doub | 1.35Å | 1.35Å | |
C6 | N1 | sing | 1.36Å | 1.35Å | |
C5 | C4 | sing | 1.41Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
C4 | N4 | sing | 1.38Å | 1.38Å | |
C4 | N3 | doub | 1.33Å | 1.35Å | |
C2 | N3 | sing | 1.33Å | 1.36Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
N4 | C11 | sing | 1.47Å | 1.47Å | |
C11 | C10 | sing | 1.53Å | 1.35Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
OP1 | H1 | sing | 0.97Å | 0.95Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N4 | H41 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
OP3 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP2 | P | O5' | 108.0° | 109.4° |
OP2 | P | OP1 | 120.0° | 109.5° |
OP2 | P | OP3 | 108.0° | 109.4° |
C3' | C2' | C1' | 103.0° | 104.2° |
C2' | C3' | O3' | 112.9° | 110.9° |
C2' | C3' | C4' | 100.8° | 102.1° |
C2' | C3' | H3' | 108.9° | 111.0° |
C3' | C2' | H2'' | 111.1° | 110.5° |
C3' | C2' | H2' | 111.0° | 110.5° |
C2' | C1' | N1 | 114.2° | 109.8° |
C2' | C1' | O4' | 94.5° | 107.3° |
C1' | C2' | H2'' | 111.0° | 110.5° |
C1' | C2' | H2' | 111.1° | 110.5° |
C2' | C1' | H1' | 114.3° | 109.9° |
O3' | C3' | C4' | 114.6° | 110.9° |
O3' | C3' | H3' | 110.1° | 110.8° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | C5' | 120.2° | 110.6° |
C3' | C4' | O4' | 104.6° | 103.4° |
C3' | C4' | H4' | 106.7° | 110.8° |
C4' | C3' | H3' | 109.0° | 110.9° |
P | O5' | C5' | 116.9° | 123.0° |
O5' | P | OP1 | 108.1° | 109.5° |
O5' | P | OP3 | 103.3° | 109.5° |
O5' | C5' | C4' | 111.8° | 109.5° |
O5' | C5' | H5'' | 108.9° | 109.5° |
O5' | C5' | H5' | 108.9° | 109.4° |
OP1 | P | OP3 | 108.3° | 109.5° |
P | OP1 | H1 | 109.5° | 114.0° |
C5 | C6 | N1 | 121.9° | 119.3° |
C6 | C5 | C4 | 119.0° | 118.9° |
C6 | C5 | H5 | 120.5° | 120.5° |
C5 | C6 | H6 | 119.0° | 120.4° |
C6 | N1 | C1' | 118.0° | 119.9° |
C6 | N1 | C2 | 120.7° | 120.3° |
N1 | C6 | H6 | 119.1° | 120.3° |
C5 | C4 | N4 | 118.4° | 120.2° |
C5 | C4 | N3 | 116.7° | 119.7° |
C4 | C5 | H5 | 120.5° | 120.6° |
C5' | C4' | O4' | 110.5° | 110.6° |
C4' | C5' | H5'' | 108.9° | 109.5° |
C4' | C5' | H5' | 108.9° | 109.4° |
C5' | C4' | H4' | 106.5° | 110.6° |
C4' | O4' | C1' | 109.2° | 107.0° |
O4' | C4' | H4' | 107.7° | 110.6° |
N1 | C1' | O4' | 100.9° | 109.9° |
C1' | N1 | C2 | 121.2° | 119.8° |
N1 | C1' | H1' | 114.8° | 109.8° |
O4' | C1' | H1' | 115.7° | 110.0° |
N1 | C2 | N3 | 117.4° | 121.1° |
N1 | C2 | O2 | 121.6° | 119.4° |
N4 | C4 | N3 | 121.6° | 120.2° |
C4 | N4 | C11 | 123.6° | 120.0° |
C4 | N4 | H41 | 118.2° | 120.0° |
C4 | N3 | C2 | 124.3° | 120.7° |
N3 | C2 | O2 | 121.0° | 119.5° |
N4 | C11 | C10 | 129.3° | 109.5° |
C11 | N4 | H41 | 118.2° | 120.0° |
N4 | C11 | H13 | 104.3° | 109.5° |
N4 | C11 | H14 | 104.3° | 109.5° |
C11 | C10 | H12 | 109.5° | 109.4° |
C11 | C10 | H11 | 109.5° | 109.4° |
C11 | C10 | H8 | 109.5° | 109.5° |
C10 | C11 | H13 | 104.3° | 109.4° |
C10 | C11 | H14 | 104.3° | 109.4° |
P | OP3 | H9 | 109.5° | 114.0° |
H5'' | C5' | H5' | 109.5° | 109.5° |
H2'' | C2' | H2' | 109.5° | 110.6° |
H12 | C10 | H11 | 109.5° | 109.5° |
H12 | C10 | H8 | 109.5° | 109.5° |
H11 | C10 | H8 | 109.4° | 109.5° |
H13 | C11 | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP2 | P | O5' | OP1 | 131.2° | 120.0° |
OP2 | P | O5' | OP3 | 114.2° | 120.0° |
OP2 | P | O5' | C5' | 178.0° | 55.0° |
OP2 | P | OP1 | OP3 | 124.5° | 120.0° |
OP2 | P | OP1 | H1 | 0.0° | 180.0° |
OP2 | P | OP3 | H9 | 0.0° | 60.0° |
C3' | C2' | C1' | H2'' | 119.0° | 118.7° |
C3' | C2' | C1' | H2' | 118.9° | 118.6° |
C2' | C3' | O3' | C4' | 114.6° | 112.7° |
C2' | C3' | O3' | H3' | 122.0° | 123.7° |
C2' | C3' | C4' | H3' | 114.5° | 118.3° |
C2' | C3' | C4' | C5' | 116.2° | 155.5° |
C2' | C3' | C4' | O4' | 8.7° | 37.0° |
C3' | C2' | C1' | N1 | 154.8° | 121.5° |
C3' | C2' | C1' | O4' | 50.7° | 2.1° |
C2' | C3' | C4' | H4' | 122.6° | 81.5° |
C2' | C3' | O3' | HO3' | 180.0° | 67.3° |
C3' | C2' | H2'' | H2' | 123.0° | 122.6° |
C3' | C2' | C1' | H1' | 70.1° | 117.6° |
C1' | C2' | C3' | O3' | 85.3° | 139.0° |
C1' | C2' | C3' | C4' | 37.5° | 20.9° |
C2' | C1' | N1 | C6 | 46.9° | 114.7° |
C2' | C1' | O4' | C4' | 46.9° | 26.6° |
C2' | C1' | N1 | O4' | 100.1° | 117.8° |
C2' | C1' | N1 | H1' | 134.8° | 121.0° |
C2' | C1' | O4' | H1' | 119.7° | 119.5° |
C2' | C1' | N1 | C2 | 134.9° | 65.0° |
C1' | C2' | C3' | H3' | 152.0° | 97.3° |
C1' | C2' | H2'' | H2' | 123.0° | 122.6° |
O3' | C3' | C4' | H3' | 124.0° | 123.5° |
O3' | C3' | C4' | C5' | 122.3° | 86.3° |
O3' | C3' | C4' | O4' | 112.9° | 155.2° |
O3' | C3' | C4' | H4' | 1.1° | 36.7° |
O3' | C3' | C2' | H2'' | 155.8° | 102.3° |
O3' | C3' | C2' | H2' | 33.7° | 20.4° |
C3' | C4' | C5' | O5' | 69.3° | 179.5° |
C3' | C4' | C5' | O4' | 122.0° | 114.0° |
C3' | C4' | C5' | H4' | 121.3° | 123.1° |
C3' | C4' | O4' | H4' | 113.3° | 118.6° |
C3' | C4' | O4' | C1' | 25.3° | 40.1° |
C3' | C4' | C5' | H5'' | 51.0° | 60.5° |
C3' | C4' | C5' | H5' | 170.4° | 59.5° |
C4' | C3' | O3' | HO3' | 65.4° | 180.0° |
C4' | C3' | C2' | H2'' | 81.5° | 139.6° |
C4' | C3' | C2' | H2' | 156.4° | 97.8° |
O5' | P | OP1 | OP3 | 111.3° | 120.0° |
P | O5' | C5' | C4' | 162.5° | 180.0° |
O5' | P | OP1 | H1 | 124.2° | 60.0° |
P | O5' | C5' | H5'' | 77.2° | 60.0° |
P | O5' | C5' | H5' | 42.2° | 60.0° |
O5' | P | OP3 | H9 | 114.2° | 180.0° |
C5' | O5' | P | OP1 | 50.9° | 65.0° |
O5' | C5' | C4' | H5'' | 120.3° | 120.0° |
O5' | C5' | C4' | H5' | 120.3° | 119.9° |
O5' | C5' | C4' | O4' | 52.7° | 66.5° |
C5' | O5' | P | OP3 | 63.8° | 175.0° |
O5' | C5' | H5'' | H5' | 118.9° | 120.0° |
O5' | C5' | C4' | H4' | 169.4° | 56.4° |
OP1 | P | OP3 | H9 | 131.4° | 59.9° |
C5 | C6 | N1 | H6 | 180.0° | 179.5° |
C6 | C5 | C4 | H5 | 180.0° | 179.9° |
C5 | C6 | N1 | C1' | 177.9° | 179.8° |
C5 | C6 | N1 | C2 | 0.3° | 0.5° |
C6 | C5 | C4 | N4 | 159.6° | 179.7° |
C6 | C5 | C4 | N3 | 0.4° | 0.1° |
N1 | C6 | C5 | C4 | 0.1° | 0.4° |
C6 | N1 | C1' | C2 | 178.2° | 179.7° |
C6 | N1 | C1' | O4' | 53.2° | 127.5° |
C6 | N1 | C2 | N3 | 0.4° | 0.2° |
C6 | N1 | C2 | O2 | 179.2° | 179.7° |
C6 | N1 | C1' | H1' | 178.3° | 6.3° |
N1 | C6 | C5 | H5 | 179.8° | 179.7° |
C5 | C4 | N4 | N3 | 158.9° | 179.8° |
C5 | C4 | N3 | C2 | 0.3° | 0.1° |
C5 | C4 | N4 | C11 | 142.0° | 179.9° |
C5 | C4 | N4 | H41 | 38.0° | 0.1° |
C4 | C5 | C6 | H6 | 179.9° | 180.0° |
C5' | C4' | O4' | H4' | 116.0° | 122.9° |
C5' | C4' | O4' | C1' | 156.0° | 158.6° |
C4' | C5' | H5'' | H5' | 118.9° | 120.0° |
C5' | C4' | C3' | H3' | 1.7° | 37.2° |
C4' | O4' | C1' | N1 | 162.6° | 145.9° |
O4' | C4' | C5' | H5'' | 173.0° | 53.5° |
O4' | C4' | C5' | H5' | 67.6° | 173.6° |
O4' | C4' | C3' | H3' | 123.2° | 81.3° |
C4' | O4' | C1' | H1' | 72.8° | 93.0° |
N1 | C1' | O4' | H1' | 124.5° | 121.1° |
C1' | N1 | C2 | N3 | 177.8° | 180.0° |
C1' | N1 | C2 | O2 | 2.6° | 0.0° |
N1 | C1' | C2' | H2'' | 35.8° | 2.8° |
N1 | C1' | C2' | H2' | 86.3° | 119.9° |
C1' | N1 | C6 | H6 | 2.1° | 0.2° |
O4' | C1' | N1 | C2 | 125.0° | 52.8° |
C1' | O4' | C4' | H4' | 88.0° | 78.5° |
O4' | C1' | C2' | H2'' | 68.3° | 116.6° |
O4' | C1' | C2' | H2' | 169.6° | 120.7° |
N1 | C2 | N3 | C4 | 0.1° | 0.1° |
N1 | C2 | N3 | O2 | 179.6° | 180.0° |
C2 | N1 | C1' | H1' | 0.1° | 174.0° |
C2 | N1 | C6 | H6 | 179.7° | 180.0° |
N4 | C4 | N3 | C2 | 159.0° | 179.9° |
C4 | N4 | C11 | H41 | 180.0° | 180.0° |
C4 | N4 | C11 | C10 | 98.5° | 180.0° |
N4 | C4 | C5 | H5 | 20.4° | 0.2° |
C4 | N4 | C11 | H13 | 138.9° | 60.0° |
C4 | N4 | C11 | H14 | 24.1° | 60.1° |
C4 | N3 | C2 | O2 | 179.5° | 180.0° |
N3 | C4 | N4 | C11 | 59.1° | 0.1° |
N3 | C4 | N4 | H41 | 120.9° | 180.0° |
N3 | C4 | C5 | H5 | 179.6° | 180.0° |
N4 | C11 | C10 | H13 | 122.6° | 120.0° |
N4 | C11 | C10 | H14 | 122.6° | 120.0° |
N4 | C11 | C10 | H12 | 180.0° | 59.9° |
N4 | C11 | C10 | H11 | 60.0° | 60.0° |
N4 | C11 | C10 | H8 | 60.0° | 180.0° |
N4 | C11 | H13 | H14 | 111.1° | 120.1° |
C10 | C11 | N4 | H41 | 81.5° | 0.0° |
C11 | C10 | H12 | H11 | 120.0° | 119.9° |
C11 | C10 | H12 | H8 | 120.0° | 120.1° |
C11 | C10 | H11 | H8 | 120.0° | 120.0° |
C10 | C11 | H13 | H14 | 111.2° | 119.9° |
OP3 | P | OP1 | H1 | 124.5° | 60.1° |
H5'' | C5' | C4' | H4' | 70.2° | 176.4° |
H5' | C5' | C4' | H4' | 49.1° | 63.6° |
H4' | C4' | C3' | H3' | 122.9° | 160.3° |
H3' | C3' | O3' | HO3' | 58.0° | 56.4° |
H3' | C3' | C2' | H2'' | 33.1° | 21.4° |
H3' | C3' | C2' | H2' | 89.0° | 144.0° |
H2'' | C2' | C1' | H1' | 170.9° | 123.8° |
H2' | C2' | C1' | H1' | 48.8° | 1.1° |
H41 | N4 | C11 | H13 | 41.1° | 119.9° |
H41 | N4 | C11 | H14 | 155.9° | 120.0° |
H5 | C5 | C6 | H6 | 0.2° | 0.1° |
H12 | C10 | H11 | H8 | 120.0° | 120.1° |
H12 | C10 | C11 | H13 | 57.4° | 179.9° |
H12 | C10 | C11 | H14 | 57.4° | 60.1° |
H11 | C10 | C11 | H13 | 177.4° | 60.0° |
H11 | C10 | C11 | H14 | 62.6° | NaN° |
H8 | C10 | C11 | H13 | 62.6° | 60.0° |
H8 | C10 | C11 | H14 | 177.4° | 60.0° |