3AU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O5' | sing | 1.61Å | 1.52Å | |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.51Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | C6 | sing | 1.37Å | 1.37Å | |
N1 | C1' | sing | 1.46Å | 1.46Å | |
C2 | O2 | doub | 1.22Å | 1.26Å | |
C2 | N3 | sing | 1.35Å | 1.38Å | |
N3 | C4 | sing | 1.35Å | 1.37Å | |
N3 | C10 | sing | 1.46Å | 1.46Å | |
C4 | O4 | doub | 1.22Å | 1.26Å | |
C4 | C5 | sing | 1.42Å | 1.40Å | |
C5 | C6 | doub | 1.35Å | 1.40Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1' | C2' | sing | 1.55Å | 1.54Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.53Å | 1.55Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.56Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C12 | C13 | sing | 1.51Å | 1.46Å | |
C12 | N40 | sing | 1.47Å | 1.47Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C13 | O30 | doub | 1.21Å | 1.22Å | |
C13 | O31 | sing | 1.34Å | 1.23Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.55Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
N40 | HN40 | sing | 1.01Å | 1.00Å | |
N40 | HN4A | sing | 1.01Å | 1.00Å | |
C5' | O5' | sing | 1.43Å | 1.34Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
P | O11 | sing | 1.61Å | 1.51Å | |
O31 | H18 | sing | 0.97Å | 0.95Å | |
OP2 | H19 | sing | 0.97Å | 0.95Å | |
O11 | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5' | P | OP1 | 110.1° | 109.5° |
O5' | P | OP2 | 109.2° | 109.5° |
P | O5' | C5' | 125.8° | 123.0° |
O5' | P | O11 | 109.0° | 109.4° |
OP1 | P | OP2 | 109.7° | 109.5° |
OP1 | P | O11 | 109.7° | 109.4° |
OP2 | P | O11 | 109.1° | 109.5° |
P | OP2 | H19 | 109.5° | 114.0° |
C2 | N1 | C6 | 118.6° | 120.6° |
C2 | N1 | C1' | 121.8° | 119.7° |
N1 | C2 | O2 | 118.9° | 119.5° |
N1 | C2 | N3 | 122.0° | 121.0° |
C6 | N1 | C1' | 119.6° | 119.7° |
N1 | C6 | C5 | 121.3° | 119.7° |
N1 | C6 | H6 | 119.3° | 120.1° |
N1 | C1' | C2' | 111.7° | 110.6° |
N1 | C1' | O4' | 114.8° | 110.6° |
N1 | C1' | H1' | 102.5° | 110.5° |
O2 | C2 | N3 | 119.1° | 119.5° |
C2 | N3 | C4 | 118.9° | 120.3° |
C2 | N3 | C10 | 121.1° | 119.9° |
C4 | N3 | C10 | 120.0° | 119.9° |
N3 | C4 | O4 | 122.7° | 120.3° |
N3 | C4 | C5 | 120.7° | 119.4° |
N3 | C10 | C11 | 110.8° | 109.5° |
N3 | C10 | H10 | 109.0° | 109.5° |
N3 | C10 | H10A | 109.1° | 109.5° |
O4 | C4 | C5 | 116.7° | 120.3° |
C4 | C5 | C6 | 118.4° | 119.1° |
C4 | C5 | H5 | 120.8° | 120.5° |
C6 | C5 | H5 | 120.8° | 120.4° |
C5 | C6 | H6 | 119.4° | 120.2° |
C2' | C1' | O4' | 103.7° | 103.5° |
C2' | C1' | H1' | 113.9° | 110.6° |
C1' | C2' | O2' | 112.3° | 110.9° |
C1' | C2' | C3' | 103.6° | 102.1° |
C1' | C2' | H2' | 113.0° | 110.9° |
O4' | C1' | H1' | 110.7° | 110.8° |
C1' | O4' | C4' | 107.9° | 107.0° |
C11 | C10 | H10 | 109.0° | 109.5° |
C11 | C10 | H10A | 109.0° | 109.5° |
C10 | C11 | C12 | 114.7° | 109.5° |
C10 | C11 | H11 | 107.8° | 109.5° |
C10 | C11 | H11A | 107.7° | 109.5° |
H10 | C10 | H10A | 109.9° | 109.5° |
C12 | C11 | H11 | 107.8° | 109.5° |
C12 | C11 | H11A | 107.8° | 109.5° |
C11 | C12 | C13 | 110.7° | 109.4° |
C11 | C12 | N40 | 111.0° | 109.5° |
C11 | C12 | H12 | 108.0° | 109.5° |
H11 | C11 | H11A | 111.1° | 109.4° |
C13 | C12 | N40 | 110.7° | 109.5° |
C13 | C12 | H12 | 108.3° | 109.5° |
C12 | C13 | O30 | 121.4° | 120.0° |
C12 | C13 | O31 | 121.3° | 120.0° |
N40 | C12 | H12 | 108.0° | 109.5° |
C12 | N40 | HN40 | 109.5° | 111.0° |
C12 | N40 | HN4A | 109.5° | 111.0° |
O30 | C13 | O31 | 117.2° | 120.0° |
C13 | O31 | H18 | 109.5° | 117.0° |
O2' | C2' | C3' | 113.5° | 110.9° |
O2' | C2' | H2' | 103.0° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C3' | C2' | H2' | 111.7° | 111.0° |
C2' | C3' | O3' | 112.3° | 110.6° |
C2' | C3' | C4' | 103.7° | 104.2° |
C2' | C3' | H3' | 112.1° | 110.5° |
O3' | C3' | C4' | 111.3° | 110.5° |
O3' | C3' | H3' | 104.7° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C4' | C3' | H3' | 113.1° | 110.6° |
C3' | C4' | O4' | 107.1° | 107.3° |
C3' | C4' | C5' | 113.1° | 109.9° |
C3' | C4' | H4' | 108.9° | 109.9° |
O4' | C4' | C5' | 110.0° | 109.9° |
O4' | C4' | H4' | 112.0° | 109.9° |
C5' | C4' | H4' | 105.8° | 110.0° |
C4' | C5' | O5' | 110.9° | 109.5° |
C4' | C5' | H5' | 109.0° | 109.5° |
C4' | C5' | H5'A | 109.0° | 109.5° |
HN40 | N40 | HN4A | 109.5° | 111.0° |
O5' | C5' | H5' | 109.0° | 109.4° |
O5' | C5' | H5'A | 109.0° | 109.5° |
H5' | C5' | H5'A | 110.0° | 109.4° |
P | O11 | H20 | 109.5° | 113.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | P | OP1 | OP2 | 120.2° | 120.0° |
O5' | P | OP1 | O11 | 119.9° | 120.0° |
O5' | P | OP2 | O11 | 119.0° | 120.0° |
P | O5' | C5' | C4' | 177.6° | 180.0° |
P | O5' | C5' | H5' | 62.5° | 60.0° |
P | O5' | C5' | H5'A | 57.6° | 59.9° |
O5' | P | OP2 | H19 | 120.8° | 180.0° |
O5' | P | O11 | H20 | 120.6° | 60.0° |
OP1 | P | OP2 | O11 | 120.2° | 120.0° |
OP1 | P | O5' | C5' | 62.6° | 55.0° |
OP1 | P | OP2 | H19 | 0.0° | 59.9° |
OP1 | P | O11 | H20 | 0.0° | 180.0° |
OP2 | P | O5' | C5' | 57.9° | 175.0° |
OP2 | P | O11 | H20 | 120.2° | 59.9° |
C2 | N1 | C6 | C1' | 178.0° | 179.7° |
N1 | C2 | O2 | N3 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.5° | 0.0° |
N1 | C2 | N3 | C10 | 178.9° | 180.0° |
C2 | N1 | C6 | C5 | 1.4° | 0.0° |
C2 | N1 | C6 | H6 | 178.6° | 180.0° |
C2 | N1 | C1' | C2' | 88.3° | 115.0° |
C2 | N1 | C1' | O4' | 154.1° | 130.9° |
C2 | N1 | C1' | H1' | 34.0° | 7.8° |
C6 | N1 | C2 | O2 | 179.1° | 180.0° |
C6 | N1 | C2 | N3 | 0.8° | 0.0° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | H5 | 179.3° | 180.0° |
C6 | N1 | C1' | C2' | 89.7° | 65.3° |
C6 | N1 | C1' | O4' | 28.0° | 48.8° |
C6 | N1 | C1' | H1' | 148.1° | 171.9° |
C1' | N1 | C2 | O2 | 1.2° | 0.3° |
C1' | N1 | C2 | N3 | 178.8° | 179.7° |
C1' | N1 | C6 | C5 | 179.4° | 179.7° |
C1' | N1 | C6 | H6 | 0.6° | 0.3° |
N1 | C1' | C2' | O4' | 124.1° | 118.5° |
N1 | C1' | C2' | H1' | 115.5° | 122.8° |
N1 | C1' | O4' | H1' | 115.4° | 122.9° |
N1 | C1' | C2' | O2' | 78.3° | 86.3° |
N1 | C1' | C2' | C3' | 158.8° | 155.6° |
N1 | C1' | C2' | H2' | 37.6° | 37.3° |
N1 | C1' | O4' | C4' | 159.8° | 158.5° |
O2 | C2 | N3 | C4 | 179.6° | 180.0° |
O2 | C2 | N3 | C10 | 1.2° | 0.0° |
C2 | N3 | C4 | C10 | 178.4° | 180.0° |
C2 | N3 | C4 | O4 | 178.4° | 179.9° |
C2 | N3 | C4 | C5 | 1.3° | 0.0° |
C2 | N3 | C10 | C11 | 87.8° | 90.0° |
C2 | N3 | C10 | H10 | 152.3° | 150.0° |
C2 | N3 | C10 | H10A | 32.2° | 30.0° |
N3 | C4 | O4 | C5 | 179.7° | 179.9° |
N3 | C4 | C5 | C6 | 0.7° | 0.0° |
N3 | C4 | C5 | H5 | 179.3° | 180.0° |
C4 | N3 | C10 | C11 | 90.6° | 90.0° |
C4 | N3 | C10 | H10 | 29.3° | 30.0° |
C4 | N3 | C10 | H10A | 149.4° | 150.0° |
C10 | N3 | C4 | O4 | 0.0° | 0.1° |
C10 | N3 | C4 | C5 | 179.7° | 180.0° |
N3 | C10 | C11 | H10 | 120.0° | 120.0° |
N3 | C10 | C11 | H10A | 120.0° | 120.0° |
N3 | C10 | H10 | H10A | 119.5° | 120.0° |
N3 | C10 | C11 | C12 | 179.4° | 180.0° |
N3 | C10 | C11 | H11 | 59.4° | 60.0° |
N3 | C10 | C11 | H11A | 60.6° | 60.0° |
O4 | C4 | C5 | C6 | 179.0° | 180.0° |
O4 | C4 | C5 | H5 | 1.0° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | H6 | 179.4° | 180.0° |
H5 | C5 | C6 | H6 | 0.7° | 0.0° |
C2' | C1' | O4' | H1' | 122.5° | 118.6° |
C1' | C2' | O2' | C3' | 117.2° | 112.7° |
C1' | C2' | O2' | H2' | 121.8° | 123.6° |
C1' | C2' | C3' | H2' | 122.0° | 118.2° |
C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
C1' | C2' | C3' | O3' | 101.1° | 97.7° |
C1' | C2' | C3' | C4' | 19.1° | 20.9° |
C1' | C2' | C3' | H3' | 141.5° | 139.7° |
C2' | C1' | O4' | C4' | 37.7° | 40.1° |
O4' | C1' | C2' | O2' | 157.6° | 155.2° |
O4' | C1' | C2' | C3' | 34.6° | 37.1° |
O4' | C1' | C2' | H2' | 86.5° | 81.2° |
C1' | O4' | C4' | C3' | 25.5° | 26.5° |
C1' | O4' | C4' | C5' | 148.9° | 145.9° |
C1' | O4' | C4' | H4' | 93.8° | 92.9° |
H1' | C1' | C2' | O2' | 37.2° | 36.5° |
H1' | C1' | C2' | C3' | 85.7° | 81.6° |
H1' | C1' | C2' | H2' | 153.2° | 160.1° |
H1' | C1' | O4' | C4' | 84.7° | 78.5° |
C11 | C10 | H10 | H10A | 119.4° | 120.0° |
C10 | C11 | C12 | H11 | 120.0° | 120.0° |
C10 | C11 | C12 | H11A | 120.0° | 120.0° |
C10 | C11 | H11 | H11A | 117.8° | 120.0° |
C10 | C11 | C12 | C13 | 178.3° | 175.0° |
C10 | C11 | C12 | N40 | 58.3° | 65.0° |
C10 | C11 | C12 | H12 | 59.9° | 55.0° |
H10 | C10 | C11 | C12 | 60.6° | 60.0° |
H10 | C10 | C11 | H11 | 179.3° | 180.0° |
H10 | C10 | C11 | H11A | 59.4° | 60.0° |
H10A | C10 | C11 | C12 | 59.4° | 60.0° |
H10A | C10 | C11 | H11 | 60.6° | 60.0° |
H10A | C10 | C11 | H11A | 179.4° | 180.0° |
C12 | C11 | H11 | H11A | 117.9° | 120.0° |
C11 | C12 | C13 | N40 | 123.6° | 119.9° |
C11 | C12 | C13 | H12 | 118.2° | 120.0° |
C11 | C12 | N40 | H12 | 118.2° | 120.0° |
C11 | C12 | C13 | O30 | 88.9° | 100.0° |
C11 | C12 | C13 | O31 | 88.7° | 80.1° |
C11 | C12 | N40 | HN40 | 180.0° | 176.0° |
C11 | C12 | N40 | HN4A | 60.0° | 60.0° |
H11 | C11 | C12 | C13 | 58.3° | 55.0° |
H11 | C11 | C12 | N40 | 178.3° | 175.0° |
H11 | C11 | C12 | H12 | 60.1° | 65.0° |
H11A | C11 | C12 | C13 | 61.7° | 65.0° |
H11A | C11 | C12 | N40 | 61.7° | 55.0° |
H11A | C11 | C12 | H12 | 179.9° | 175.0° |
C13 | C12 | N40 | H12 | 118.4° | 120.1° |
C12 | C13 | O30 | O31 | 177.7° | 179.9° |
C13 | C12 | N40 | HN40 | 56.6° | 64.1° |
C13 | C12 | N40 | HN4A | 63.4° | 60.0° |
C12 | C13 | O31 | H18 | 177.7° | 180.0° |
N40 | C12 | C13 | O30 | 34.6° | 19.9° |
N40 | C12 | C13 | O31 | 147.7° | 160.0° |
C12 | N40 | HN40 | HN4A | 120.0° | 124.0° |
H12 | C12 | C13 | O30 | 152.9° | 140.0° |
H12 | C12 | C13 | O31 | 29.5° | 39.9° |
H12 | C12 | N40 | HN40 | 61.8° | 56.0° |
H12 | C12 | N40 | HN4A | 178.2° | 180.0° |
O30 | C13 | O31 | H18 | 0.0° | 0.0° |
O2' | C2' | C3' | H2' | 115.9° | 123.6° |
O2' | C2' | C3' | O3' | 21.0° | 20.4° |
O2' | C2' | C3' | C4' | 141.2° | 139.1° |
O2' | C2' | C3' | H3' | 96.4° | 102.1° |
C3' | C2' | O2' | HO2' | 62.8° | 67.3° |
C2' | C3' | O3' | C4' | 115.7° | 114.8° |
C2' | C3' | O3' | H3' | 121.8° | 122.6° |
C2' | C3' | C4' | H3' | 121.7° | 118.7° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | O4' | 2.6° | 2.0° |
C2' | C3' | C4' | C5' | 124.0° | 121.4° |
C2' | C3' | C4' | H4' | 118.7° | 117.4° |
H2' | C2' | O2' | HO2' | 58.1° | 56.4° |
H2' | C2' | C3' | O3' | 136.9° | 144.0° |
H2' | C2' | C3' | C4' | 102.9° | 97.3° |
H2' | C2' | C3' | H3' | 19.5° | 21.5° |
O3' | C3' | C4' | H3' | 117.5° | 122.5° |
O3' | C3' | C4' | O4' | 123.5° | 120.7° |
O3' | C3' | C4' | C5' | 115.1° | 119.8° |
O3' | C3' | C4' | H4' | 2.2° | 1.3° |
C4' | C3' | O3' | HO3' | 64.3° | 176.2° |
C3' | C4' | O4' | C5' | 123.4° | 119.5° |
C3' | C4' | O4' | H4' | 119.3° | 119.4° |
C3' | C4' | C5' | H4' | 119.1° | 121.1° |
C3' | C4' | C5' | O5' | 179.2° | 175.0° |
C3' | C4' | C5' | H5' | 59.2° | 55.0° |
C3' | C4' | C5' | H5'A | 60.9° | 65.0° |
H3' | C3' | O3' | HO3' | 58.2° | 61.2° |
H3' | C3' | C4' | O4' | 119.1° | 116.7° |
H3' | C3' | C4' | C5' | 2.4° | 2.7° |
H3' | C3' | C4' | H4' | 119.7° | 123.8° |
O4' | C4' | C5' | H4' | 121.1° | 121.1° |
O4' | C4' | C5' | O5' | 61.1° | 67.2° |
O4' | C4' | C5' | H5' | 178.9° | 172.8° |
O4' | C4' | C5' | H5'A | 58.9° | 52.9° |
C4' | C5' | O5' | H5' | 120.0° | 120.0° |
C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
C4' | C5' | H5' | H5'A | 119.4° | 120.0° |
H4' | C4' | C5' | O5' | 60.1° | 53.9° |
H4' | C4' | C5' | H5' | 59.9° | 66.1° |
H4' | C4' | C5' | H5'A | 179.9° | 174.0° |
O5' | C5' | H5' | H5'A | 119.4° | 120.0° |
C5' | O5' | P | O11 | 177.0° | 65.0° |
O11 | P | OP2 | H19 | 120.2° | 60.1° |