3DU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.34Å | |
C3 | C2 | sing | 1.40Å | 1.42Å | |
C3 | C4 | doub | 1.38Å | 1.40Å | |
C2 | N1 | sing | 1.35Å | 1.35Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
O4' | C4' | sing | 1.44Å | 1.45Å | |
O4 | C4 | sing | 1.36Å | 1.37Å | |
C4 | C5 | sing | 1.41Å | 1.41Å | |
N1 | C1' | sing | 1.47Å | 1.47Å | |
N1 | C6 | sing | 1.36Å | 1.36Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C6 | C5 | doub | 1.35Å | 1.40Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
O5' | P | sing | 1.61Å | 1.59Å | |
OP3 | P | doub | 1.48Å | 1.50Å | |
P | OP1 | sing | 1.61Å | 1.53Å | |
P | OP2 | sing | 1.61Å | 1.53Å | |
OP1 | H1 | sing | 0.97Å | 0.95Å | |
OP2 | H2 | sing | 0.97Å | 0.95Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C5' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C3' | H6 | sing | 1.09Å | 1.10Å | |
O3' | H7 | sing | 0.97Å | 0.95Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
O2' | H9 | sing | 0.97Å | 0.95Å | |
C1' | H10 | sing | 1.09Å | 1.10Å | |
C3 | H11 | sing | 1.08Å | 1.08Å | |
O4 | H12 | sing | 0.97Å | 0.95Å | |
C5 | H13 | sing | 1.08Å | 1.08Å | |
C6 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 118.1° | 119.9° |
O2 | C2 | N1 | 120.5° | 119.9° |
C2 | C3 | C4 | 118.0° | 119.1° |
C3 | C2 | N1 | 121.4° | 120.1° |
C2 | C3 | H11 | 121.0° | 120.4° |
C3 | C4 | O4 | 120.4° | 120.5° |
C3 | C4 | C5 | 120.1° | 119.0° |
C4 | C3 | H11 | 121.0° | 120.5° |
C2 | N1 | C1' | 120.3° | 119.5° |
C2 | N1 | C6 | 120.9° | 121.0° |
C1' | O4' | C4' | 109.9° | 105.3° |
O4' | C1' | N1 | 107.4° | 110.4° |
O4' | C1' | C2' | 106.1° | 104.8° |
O4' | C1' | H10 | 110.2° | 110.4° |
O4' | C4' | C3' | 105.9° | 104.8° |
O4' | C4' | C5' | 108.6° | 110.4° |
O4' | C4' | H5 | 109.5° | 110.4° |
O4 | C4 | C5 | 119.5° | 120.5° |
C4 | O4 | H12 | 109.5° | 114.0° |
C4 | C5 | C6 | 118.7° | 119.8° |
C4 | C5 | H13 | 120.7° | 120.1° |
C1' | N1 | C6 | 118.8° | 119.5° |
N1 | C1' | C2' | 115.1° | 110.3° |
N1 | C1' | H10 | 109.3° | 110.4° |
N1 | C6 | C5 | 120.9° | 120.9° |
N1 | C6 | H14 | 119.5° | 119.5° |
C1' | C2' | C3' | 101.4° | 104.0° |
C1' | C2' | O2' | 111.9° | 110.5° |
C1' | C2' | H8 | 109.0° | 110.6° |
C2' | C1' | H10 | 108.6° | 110.4° |
O3' | C3' | C4' | 109.2° | 110.5° |
O3' | C3' | C2' | 109.0° | 110.5° |
O3' | C3' | H6 | 113.0° | 110.6° |
C3' | O3' | H7 | 109.5° | 114.0° |
C3' | C4' | C5' | 115.3° | 110.4° |
C4' | C3' | C2' | 102.4° | 104.1° |
C3' | C4' | H5 | 108.5° | 110.4° |
C4' | C3' | H6 | 111.4° | 110.5° |
C4' | C5' | O5' | 111.6° | 109.5° |
C4' | C5' | H3 | 108.9° | 109.5° |
C4' | C5' | H4 | 109.0° | 109.5° |
C5' | C4' | H5 | 108.8° | 110.3° |
C6 | C5 | H13 | 120.7° | 120.1° |
C5 | C6 | H14 | 119.5° | 119.6° |
C3' | C2' | O2' | 114.3° | 110.5° |
C2' | C3' | H6 | 111.4° | 110.5° |
C3' | C2' | H8 | 109.2° | 110.5° |
O2' | C2' | H8 | 110.7° | 110.5° |
C2' | O2' | H9 | 109.5° | 114.0° |
C5' | O5' | P | 121.1° | 123.0° |
O5' | C5' | H3 | 108.9° | 109.5° |
O5' | C5' | H4 | 108.9° | 109.5° |
O5' | P | OP3 | 108.8° | 109.4° |
O5' | P | OP1 | 106.9° | 109.5° |
O5' | P | OP2 | 105.4° | 109.5° |
OP3 | P | OP1 | 108.5° | 109.5° |
OP3 | P | OP2 | 108.8° | 109.5° |
OP1 | P | OP2 | 118.0° | 109.5° |
P | OP1 | H1 | 109.5° | 114.0° |
P | OP2 | H2 | 109.5° | 114.0° |
H3 | C5' | H4 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | N1 | 179.3° | 179.9° |
O2 | C2 | C3 | C4 | 179.9° | 180.0° |
O2 | C2 | N1 | C1' | 1.5° | 0.0° |
O2 | C2 | N1 | C6 | 179.2° | 179.7° |
O2 | C2 | C3 | H11 | 0.2° | 0.1° |
C2 | C3 | C4 | H11 | 180.0° | 180.0° |
C2 | C3 | C4 | O4 | 179.4° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C3 | C2 | N1 | C1' | 179.2° | 180.0° |
C3 | C2 | N1 | C6 | 1.5° | 0.2° |
C4 | C3 | C2 | N1 | 0.9° | 0.0° |
C3 | C4 | O4 | C5 | 179.6° | 180.0° |
C3 | C4 | C5 | C6 | 0.0° | 0.3° |
C3 | C4 | O4 | H12 | 180.0° | 179.9° |
C3 | C4 | C5 | H13 | 179.9° | 180.0° |
C2 | N1 | C1' | O4' | 119.5° | 53.8° |
C2 | N1 | C1' | C6 | 177.7° | 179.7° |
C2 | N1 | C1' | C2' | 122.6° | 61.6° |
C2 | N1 | C6 | C5 | 1.5° | 0.5° |
C2 | N1 | C1' | H10 | 0.1° | 176.1° |
N1 | C2 | C3 | H11 | 179.1° | 180.0° |
C2 | N1 | C6 | H14 | 178.6° | 179.7° |
O4' | C1' | N1 | C2' | 117.9° | 115.4° |
O4' | C1' | N1 | H10 | 119.5° | 122.3° |
O4' | C1' | N1 | C6 | 58.3° | 126.5° |
O4' | C1' | C2' | H10 | 118.4° | 118.9° |
C1' | O4' | C4' | C3' | 6.8° | 40.5° |
C1' | O4' | C4' | C5' | 117.6° | 159.4° |
O4' | C1' | C2' | C3' | 33.7° | 24.0° |
O4' | C1' | C2' | O2' | 155.9° | 142.6° |
C1' | O4' | C4' | H5 | 123.7° | 78.3° |
O4' | C1' | C2' | H8 | 81.3° | 94.7° |
C4' | O4' | C1' | N1 | 140.7° | 159.3° |
C4' | O4' | C1' | C2' | 17.1° | 40.5° |
O4' | C4' | C3' | O3' | 87.7° | 142.6° |
O4' | C4' | C3' | C5' | 120.2° | 118.9° |
O4' | C4' | C3' | H5 | 117.5° | 118.9° |
O4' | C4' | C5' | H5 | 119.1° | 122.4° |
O4' | C4' | C3' | C2' | 27.7° | 23.9° |
O4' | C4' | C5' | O5' | 179.7° | 69.6° |
O4' | C4' | C5' | H3 | 59.4° | 50.4° |
O4' | C4' | C5' | H4 | 60.0° | 170.4° |
O4' | C4' | C3' | H6 | 146.9° | 94.7° |
C4' | O4' | C1' | H10 | 100.3° | 78.3° |
O4 | C4 | C5 | C6 | 179.5° | 179.7° |
O4 | C4 | C3 | H11 | 0.6° | 0.1° |
O4 | C4 | C5 | H13 | 0.5° | 0.0° |
C4 | C5 | C6 | N1 | 0.7° | 0.6° |
C4 | C5 | C6 | H13 | 180.0° | 179.7° |
C5 | C4 | C3 | H11 | 179.9° | 180.0° |
C5 | C4 | O4 | H12 | 0.4° | 0.1° |
C4 | C5 | C6 | H14 | 179.3° | 179.7° |
N1 | C1' | C2' | H10 | 122.9° | 122.3° |
C1' | N1 | C6 | C5 | 179.2° | 179.7° |
N1 | C1' | C2' | C3' | 152.4° | 142.8° |
N1 | C1' | C2' | O2' | 85.4° | 98.6° |
N1 | C1' | C2' | H8 | 37.3° | 24.1° |
C1' | N1 | C6 | H14 | 0.9° | 0.0° |
C6 | N1 | C1' | C2' | 59.7° | 118.2° |
N1 | C6 | C5 | H14 | 180.0° | 179.7° |
C6 | N1 | C1' | H10 | 177.8° | 4.1° |
N1 | C6 | C5 | H13 | 179.3° | 179.7° |
C1' | C2' | C3' | O3' | 79.0° | 118.6° |
C1' | C2' | C3' | C4' | 36.6° | 0.0° |
C1' | C2' | C3' | O2' | 120.5° | 118.6° |
C1' | C2' | C3' | H8 | 115.0° | 118.8° |
C1' | C2' | O2' | H8 | 121.8° | 122.8° |
C1' | C2' | C3' | H6 | 155.7° | 118.6° |
C1' | C2' | O2' | H9 | 180.0° | 176.1° |
O3' | C3' | C4' | C2' | 115.4° | 118.6° |
O3' | C3' | C4' | H6 | 125.4° | 122.7° |
O3' | C3' | C4' | C5' | 152.1° | 98.5° |
O3' | C3' | C2' | H6 | 125.3° | 122.8° |
O3' | C3' | C2' | O2' | 41.6° | 0.0° |
O3' | C3' | C4' | H5 | 29.8° | 23.7° |
O3' | C3' | C2' | H8 | 166.1° | 122.6° |
C3' | C4' | C5' | H5 | 122.2° | 122.2° |
C4' | C3' | C2' | H6 | 119.1° | 118.6° |
C4' | C3' | C2' | O2' | 157.1° | 118.6° |
C3' | C4' | C5' | O5' | 61.0° | 175.0° |
C3' | C4' | C5' | H3 | 59.3° | 65.0° |
C3' | C4' | C5' | H4 | 178.7° | 55.0° |
C4' | C3' | O3' | H7 | 180.0° | 179.9° |
C4' | C3' | C2' | H8 | 78.4° | 118.7° |
C5' | C4' | C3' | C2' | 92.5° | 142.8° |
C4' | C5' | O5' | H3 | 120.3° | 120.0° |
C4' | C5' | O5' | H4 | 120.3° | 120.1° |
C4' | C5' | O5' | P | 171.3° | 179.9° |
C4' | C5' | H3 | H4 | 119.1° | 120.0° |
C5' | C4' | C3' | H6 | 26.7° | 24.2° |
C3' | C2' | O2' | H8 | 123.7° | 122.6° |
C2' | C3' | C4' | H5 | 145.2° | 95.0° |
C2' | C3' | O3' | H7 | 68.9° | 65.4° |
C3' | C2' | O2' | H9 | 65.5° | 61.5° |
C3' | C2' | C1' | H10 | 84.7° | 94.9° |
O2' | C2' | C3' | H6 | 83.7° | 122.8° |
O2' | C2' | C1' | H10 | 37.5° | 23.7° |
C5' | O5' | P | OP3 | 72.4° | 55.0° |
C5' | O5' | P | OP1 | 44.7° | 175.0° |
C5' | O5' | P | OP2 | 171.0° | 65.0° |
O5' | C5' | H3 | H4 | 119.0° | 119.9° |
O5' | C5' | C4' | H5 | 61.2° | 52.8° |
O5' | P | OP3 | OP1 | 116.1° | 120.0° |
O5' | P | OP3 | OP2 | 114.4° | 120.0° |
O5' | P | OP1 | OP2 | 118.4° | 120.1° |
O5' | P | OP1 | H1 | 117.3° | 180.0° |
O5' | P | OP2 | H2 | 116.6° | 60.0° |
P | O5' | C5' | H3 | 50.9° | 59.9° |
P | O5' | C5' | H4 | 68.4° | 60.0° |
OP3 | P | OP1 | OP2 | 124.3° | 120.0° |
OP3 | P | OP1 | H1 | 0.0° | 60.1° |
OP3 | P | OP2 | H2 | 0.0° | 180.0° |
OP1 | P | OP2 | H2 | 124.1° | 60.0° |
OP2 | P | OP1 | H1 | 124.3° | 59.9° |
H3 | C5' | C4' | H5 | 178.5° | 172.8° |
H4 | C5' | C4' | H5 | 59.1° | 67.3° |
H5 | C4' | C3' | H6 | 95.6° | 146.4° |
H6 | C3' | O3' | H7 | 55.5° | 57.3° |
H6 | C3' | C2' | H8 | 40.8° | 0.1° |
H8 | C2' | O2' | H9 | 58.2° | 61.2° |
H8 | C2' | C1' | H10 | 160.3° | 146.4° |
H13 | C5 | C6 | H14 | 0.7° | 0.0° |