5MD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5' | C5' | sing | 1.43Å | 1.46Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.41Å | |
C4' | C3' | sing | 1.54Å | 1.49Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C1' | C1 | sing | 1.51Å | 1.54Å | |
C1' | C2' | sing | 1.55Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C1 | C6 | doub | 1.35Å | 1.36Å | |
C1 | C2 | sing | 1.41Å | 1.48Å | |
C6 | N5 | sing | 1.37Å | 1.37Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C4 | sing | 1.35Å | 1.36Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
C4 | O4 | doub | 1.22Å | 1.20Å | |
C4 | N5 | sing | 1.34Å | 1.38Å | |
N5 | C5 | sing | 1.47Å | 1.46Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C5 | H53 | sing | 1.09Å | 1.12Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C2' | sing | 1.55Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | H3'A | sing | 0.97Å | 0.95Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5' | O5' | H5' | 109.5° | 106.7° |
O5' | C5' | C4' | 109.4° | 109.5° |
O5' | C5' | H5'1 | 112.3° | 109.5° |
O5' | C5' | H5'2 | 112.2° | 109.4° |
C4' | C5' | H5'1 | 112.2° | 109.5° |
C4' | C5' | H5'2 | 112.2° | 109.5° |
C5' | C4' | O4' | 108.0° | 110.1° |
C5' | C4' | C3' | 115.9° | 109.9° |
C5' | C4' | H4' | 104.8° | 109.8° |
H5'1 | C5' | H5'2 | 98.2° | 109.5° |
O4' | C4' | C3' | 104.9° | 107.4° |
O4' | C4' | H4' | 115.8° | 109.7° |
C4' | O4' | C1' | 112.1° | 106.9° |
C3' | C4' | H4' | 107.9° | 109.8° |
C4' | C3' | O3' | 109.6° | 110.7° |
C4' | C3' | C2' | 103.4° | 104.2° |
C4' | C3' | H3' | 112.0° | 110.4° |
O4' | C1' | C1 | 116.9° | 110.6° |
O4' | C1' | C2' | 100.9° | 103.6° |
O4' | C1' | H1' | 112.0° | 110.6° |
C1 | C1' | C2' | 113.7° | 110.6° |
C1 | C1' | H1' | 98.8° | 110.6° |
C1' | C1 | C6 | 119.2° | 120.4° |
C1' | C1 | C2 | 121.0° | 120.4° |
C2' | C1' | H1' | 115.3° | 110.6° |
C1' | C2' | C3' | 109.8° | 102.1° |
C1' | C2' | H2'1 | 112.1° | 110.9° |
C1' | C2' | H2'2 | 112.1° | 110.9° |
C6 | C1 | C2 | 119.7° | 119.1° |
C1 | C6 | N5 | 122.0° | 119.6° |
C1 | C6 | H6 | 118.4° | 120.2° |
C1 | C2 | O2 | 130.0° | 120.3° |
C1 | C2 | N3 | 113.3° | 119.4° |
N5 | C6 | H6 | 119.6° | 120.2° |
C6 | N5 | C4 | 120.6° | 120.7° |
C6 | N5 | C5 | 118.3° | 119.6° |
O2 | C2 | N3 | 116.4° | 120.3° |
C2 | N3 | C4 | 127.4° | 120.3° |
C2 | N3 | HN3 | 116.4° | 119.8° |
C4 | N3 | HN3 | 116.2° | 119.9° |
N3 | C4 | O4 | 117.5° | 119.5° |
N3 | C4 | N5 | 117.0° | 120.9° |
O4 | C4 | N5 | 124.8° | 119.6° |
C4 | N5 | C5 | 121.1° | 119.7° |
N5 | C5 | H51 | 118.3° | 109.4° |
N5 | C5 | H52 | 109.0° | 109.5° |
N5 | C5 | H53 | 109.0° | 109.5° |
H51 | C5 | H52 | 109.1° | 109.4° |
H51 | C5 | H53 | 109.0° | 109.4° |
H52 | C5 | H53 | 101.0° | 109.5° |
O3' | C3' | C2' | 105.3° | 110.5° |
O3' | C3' | H3' | 110.2° | 110.5° |
C3' | O3' | H3'A | 109.7° | 106.9° |
C2' | C3' | H3' | 115.9° | 110.4° |
C3' | C2' | H2'1 | 112.1° | 110.9° |
C3' | C2' | H2'2 | 112.1° | 110.9° |
H2'1 | C2' | H2'2 | 98.3° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
O5' | C5' | C4' | O4' | 50.7° | 61.9° |
O5' | C5' | C4' | C3' | 167.9° | 180.0° |
O5' | C5' | C4' | H4' | 73.4° | 59.0° |
H5' | O5' | C5' | C4' | 180.0° | 180.0° |
H5' | O5' | C5' | H5'1 | 54.8° | 60.0° |
H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
C4' | C5' | H5'1 | H5'2 | 118.1° | 120.0° |
C5' | C4' | O4' | C3' | 124.1° | 119.7° |
C5' | C4' | O4' | H4' | 117.1° | 121.0° |
C5' | C4' | C3' | H4' | 117.1° | 121.0° |
C5' | C4' | O4' | C1' | 91.9° | 145.9° |
C5' | C4' | C3' | O3' | 153.8° | 119.6° |
C5' | C4' | C3' | C2' | 94.3° | 121.6° |
C5' | C4' | C3' | H3' | 31.1° | 3.0° |
H5'1 | C5' | C4' | O4' | 74.6° | 178.1° |
H5'1 | C5' | C4' | C3' | 42.6° | 60.0° |
H5'1 | C5' | C4' | H4' | 161.3° | 61.0° |
H5'2 | C5' | C4' | O4' | 175.9° | 58.0° |
H5'2 | C5' | C4' | C3' | 66.9° | 60.0° |
H5'2 | C5' | C4' | H4' | 51.9° | 179.0° |
O4' | C4' | C3' | H4' | 124.0° | 119.2° |
C4' | O4' | C1' | C1 | 99.4° | 158.4° |
C4' | O4' | C1' | C2' | 24.5° | 39.8° |
C4' | O4' | C1' | H1' | 147.6° | 78.8° |
O4' | C4' | C3' | O3' | 87.3° | 120.6° |
O4' | C4' | C3' | C2' | 24.6° | 1.8° |
O4' | C4' | C3' | H3' | 150.1° | 116.8° |
C3' | C4' | O4' | C1' | 32.2° | 26.2° |
C4' | C3' | C2' | C1' | 10.4° | 20.9° |
C4' | C3' | O3' | C2' | 110.6° | 114.9° |
C4' | C3' | O3' | H3' | 123.7° | 122.6° |
C4' | C3' | C2' | H3' | 122.9° | 118.6° |
C4' | C3' | O3' | H3'A | 180.0° | 176.3° |
C4' | C3' | C2' | H2'1 | 135.7° | 139.1° |
C4' | C3' | C2' | H2'2 | 114.9° | 97.2° |
H4' | C4' | O4' | C1' | 151.0° | 93.1° |
H4' | C4' | C3' | O3' | 36.7° | 1.3° |
H4' | C4' | C3' | C2' | 148.6° | 117.4° |
H4' | C4' | C3' | H3' | 85.9° | 124.0° |
O4' | C1' | C1 | C2' | 117.1° | 114.2° |
O4' | C1' | C1 | H1' | 120.2° | 122.9° |
O4' | C1' | C2' | H1' | 120.9° | 118.6° |
O4' | C1' | C1 | C6 | 0.7° | 123.6° |
O4' | C1' | C1 | C2 | 176.9° | 56.5° |
O4' | C1' | C2' | C3' | 7.3° | 36.9° |
O4' | C1' | C2' | H2'1 | 117.9° | 155.2° |
O4' | C1' | C2' | H2'2 | 132.5° | 81.3° |
C1 | C1' | C2' | H1' | 113.1° | 122.9° |
C1' | C1 | C6 | C2 | 177.6° | 179.9° |
C1' | C1 | C6 | N5 | 177.3° | 180.0° |
C1' | C1 | C6 | H6 | 2.7° | 0.1° |
C1' | C1 | C2 | O2 | 9.4° | 0.1° |
C1' | C1 | C2 | N3 | 177.3° | 179.9° |
C1 | C1' | C2' | C3' | 118.8° | 155.5° |
C1 | C1' | C2' | H2'1 | 116.0° | 86.3° |
C1 | C1' | C2' | H2'2 | 6.5° | 37.3° |
C2' | C1' | C1 | C6 | 117.8° | 122.1° |
C2' | C1' | C1 | C2 | 59.8° | 57.8° |
C1' | C2' | C3' | O3' | 104.6° | 97.9° |
C1' | C2' | C3' | H2'1 | 125.2° | 118.2° |
C1' | C2' | C3' | H2'2 | 125.3° | 118.2° |
C1' | C2' | C3' | H3' | 133.4° | 139.5° |
C1' | C2' | H2'1 | H2'2 | 118.1° | 123.6° |
H1' | C1' | C1 | C6 | 119.5° | 0.8° |
H1' | C1' | C1 | C2 | 62.9° | 179.3° |
H1' | C1' | C2' | C3' | 128.1° | 81.6° |
H1' | C1' | C2' | H2'1 | 2.9° | 36.6° |
H1' | C1' | C2' | H2'2 | 106.6° | 160.2° |
C1 | C6 | N5 | H6 | 180.0° | 179.9° |
C6 | C1 | C2 | O2 | 173.0° | 179.9° |
C6 | C1 | C2 | N3 | 0.3° | 0.0° |
C1 | C6 | N5 | C4 | 0.0° | 0.3° |
C1 | C6 | N5 | C5 | 178.5° | 180.0° |
C2 | C1 | C6 | N5 | 0.4° | 0.1° |
C2 | C1 | C6 | H6 | 179.6° | 180.0° |
C1 | C2 | O2 | N3 | 173.2° | 180.0° |
C1 | C2 | N3 | C4 | 0.0° | 0.3° |
C1 | C2 | N3 | HN3 | 180.0° | 180.0° |
C6 | N5 | C4 | N3 | 0.3° | 0.5° |
C6 | N5 | C4 | O4 | 169.9° | 180.0° |
C6 | N5 | C4 | C5 | 178.4° | 179.7° |
C6 | N5 | C5 | H51 | 180.0° | 180.0° |
C6 | N5 | C5 | H52 | 54.7° | 60.1° |
C6 | N5 | C5 | H53 | 54.7° | 60.1° |
H6 | C6 | N5 | C4 | 180.0° | 179.8° |
H6 | C6 | N5 | C5 | 1.6° | 0.1° |
O2 | C2 | N3 | C4 | 174.4° | 179.7° |
O2 | C2 | N3 | HN3 | 5.6° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
C2 | N3 | C4 | O4 | 170.6° | 180.0° |
C2 | N3 | C4 | N5 | 0.4° | 0.5° |
N3 | C4 | O4 | N5 | 170.2° | 179.5° |
N3 | C4 | N5 | C5 | 178.0° | 179.8° |
HN3 | N3 | C4 | O4 | 9.4° | 0.2° |
HN3 | N3 | C4 | N5 | 179.7° | 179.7° |
O4 | C4 | N5 | C5 | 11.7° | 0.2° |
C4 | N5 | C5 | H51 | 1.6° | 0.3° |
C4 | N5 | C5 | H52 | 123.7° | 119.7° |
C4 | N5 | C5 | H53 | 126.9° | 120.2° |
N5 | C5 | H51 | H52 | 125.3° | 120.0° |
N5 | C5 | H51 | H53 | 125.3° | 120.0° |
N5 | C5 | H52 | H53 | 114.7° | 120.1° |
H51 | C5 | H52 | H53 | 114.8° | 119.9° |
O3' | C3' | C2' | H3' | 122.1° | 122.5° |
O3' | C3' | C2' | H2'1 | 20.6° | 20.2° |
O3' | C3' | C2' | H2'2 | 130.1° | 143.9° |
C2' | C3' | O3' | H3'A | 69.4° | 61.4° |
C3' | C2' | H2'1 | H2'2 | 118.0° | 123.7° |
H3' | C3' | O3' | H3'A | 56.3° | 61.1° |
H3' | C3' | C2' | H2'1 | 101.4° | 102.3° |
H3' | C3' | C2' | H2'2 | 8.0° | 21.4° |