MHZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | NA | sing | 1.45Å | 1.41Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
NA | CB | sing | 1.47Å | 1.55Å | |
NA | HNA1 | sing | 1.01Å | 1.02Å | |
CB | CC | sing | 1.53Å | 1.57Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CC | CG | sing | 1.53Å | 1.61Å | |
CC | HCC1 | sing | 1.09Å | 1.12Å | |
CC | HCC2 | sing | 1.09Å | 1.11Å | |
CG | ND | sing | 1.47Å | 1.73Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
ND | CE | sing | 1.47Å | 1.49Å | |
ND | C5' | sing | 1.47Å | 1.59Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NA | N | HN1 | 109.7° | 106.8° |
NA | N | HN2 | 112.1° | 106.7° |
N | NA | CB | 109.7° | 106.8° |
N | NA | HNA1 | 112.1° | 106.7° |
HN1 | N | HN2 | 112.1° | 106.8° |
CB | NA | HNA1 | 112.1° | 106.7° |
NA | CB | CC | 110.9° | 109.5° |
NA | CB | HB1 | 111.7° | 109.4° |
NA | CB | HB2 | 111.7° | 109.4° |
CC | CB | HB1 | 111.6° | 109.5° |
CC | CB | HB2 | 111.6° | 109.5° |
CB | CC | CG | 109.9° | 109.5° |
CB | CC | HCC1 | 112.1° | 109.5° |
CB | CC | HCC2 | 112.0° | 109.5° |
HB1 | CB | HB2 | 98.7° | 109.5° |
CG | CC | HCC1 | 112.0° | 109.4° |
CG | CC | HCC2 | 112.1° | 109.5° |
CC | CG | ND | 109.9° | 109.5° |
CC | CG | HG1 | 112.1° | 109.5° |
CC | CG | HG2 | 112.1° | 109.5° |
HCC1 | CC | HCC2 | 98.4° | 109.5° |
ND | CG | HG1 | 112.0° | 109.5° |
ND | CG | HG2 | 112.0° | 109.4° |
CG | ND | CE | 107.0° | 106.7° |
CG | ND | C5' | 108.6° | 106.7° |
HG1 | CG | HG2 | 98.4° | 109.4° |
CE | ND | C5' | 108.6° | 106.6° |
ND | CE | HE1 | 107.0° | 109.5° |
ND | CE | HE2 | 113.1° | 109.5° |
ND | CE | HE3 | 113.1° | 109.5° |
ND | C5' | C4' | 110.6° | 109.5° |
ND | C5' | H5'1 | 111.8° | 109.5° |
ND | C5' | H5'2 | 111.8° | 109.5° |
HE1 | CE | HE2 | 113.1° | 109.5° |
HE1 | CE | HE3 | 113.1° | 109.4° |
HE2 | CE | HE3 | 97.4° | 109.4° |
C4' | C5' | H5'1 | 111.7° | 109.4° |
C4' | C5' | H5'2 | 111.8° | 109.5° |
C5' | C4' | O4' | 109.6° | 109.9° |
C5' | C4' | C3' | 115.2° | 109.9° |
C5' | C4' | H4' | 104.3° | 109.8° |
H5'1 | C5' | H5'2 | 98.6° | 109.5° |
O4' | C4' | C3' | 105.7° | 107.4° |
O4' | C4' | H4' | 114.0° | 109.9° |
C4' | O4' | C1' | 109.7° | 107.0° |
C3' | C4' | H4' | 108.2° | 109.8° |
C4' | C3' | C2' | 102.6° | 104.0° |
C4' | C3' | O3' | 110.0° | 110.8° |
C4' | C3' | H3' | 113.8° | 110.4° |
O4' | C1' | N9 | 108.4° | 110.6° |
O4' | C1' | C2' | 105.4° | 103.5° |
O4' | C1' | H1' | 114.3° | 110.6° |
N9 | C1' | C2' | 113.5° | 110.8° |
N9 | C1' | H1' | 106.3° | 110.5° |
C1' | N9 | C4 | 126.2° | 126.4° |
C1' | N9 | C8 | 128.0° | 126.3° |
C2' | C1' | H1' | 109.2° | 110.6° |
C1' | C2' | O2' | 111.0° | 110.9° |
C1' | C2' | C3' | 101.0° | 102.1° |
C1' | C2' | H2' | 115.3° | 110.9° |
C4 | N9 | C8 | 105.8° | 107.4° |
N9 | C4 | N3 | 127.2° | 134.9° |
N9 | C4 | C5 | 105.9° | 106.0° |
N9 | C8 | N7 | 113.8° | 110.0° |
N9 | C8 | H8 | 125.2° | 125.0° |
N3 | C4 | C5 | 126.9° | 119.1° |
C4 | N3 | C2 | 110.6° | 120.7° |
C4 | C5 | C6 | 116.9° | 118.1° |
C4 | C5 | N7 | 110.7° | 107.2° |
N3 | C2 | N1 | 129.2° | 122.4° |
N3 | C2 | H2 | 115.1° | 118.8° |
N1 | C2 | H2 | 115.7° | 118.7° |
C2 | N1 | C6 | 118.7° | 121.1° |
N1 | C6 | N6 | 118.6° | 120.7° |
N1 | C6 | C5 | 117.6° | 118.5° |
N6 | C6 | C5 | 123.8° | 120.8° |
C6 | N6 | HN61 | 118.6° | 120.0° |
C6 | N6 | HN62 | 108.9° | 120.0° |
C6 | C5 | N7 | 132.4° | 134.7° |
HN61 | N6 | HN62 | 108.9° | 120.0° |
C5 | N7 | C8 | 103.9° | 109.4° |
N7 | C8 | H8 | 121.1° | 125.0° |
O2' | C2' | C3' | 113.1° | 110.8° |
O2' | C2' | H2' | 103.7° | 110.8° |
C2' | O2' | HO2' | 111.1° | 106.8° |
C3' | C2' | H2' | 113.3° | 111.0° |
C2' | C3' | O3' | 110.0° | 110.5° |
C2' | C3' | H3' | 113.8° | 110.5° |
O3' | C3' | H3' | 106.7° | 110.4° |
C3' | O3' | HO3' | 110.0° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NA | N | HN1 | HN2 | 125.3° | 113.8° |
N | NA | CB | HNA1 | 125.2° | 113.8° |
N | NA | CB | CC | 32.4° | 180.0° |
N | NA | CB | HB1 | 92.9° | 60.0° |
N | NA | CB | HB2 | 157.6° | 60.0° |
HN1 | N | NA | CB | 180.0° | 180.0° |
HN1 | N | NA | HNA1 | 54.8° | 66.2° |
HN2 | N | NA | CB | 54.7° | 66.2° |
HN2 | N | NA | HNA1 | 70.5° | 180.0° |
NA | CB | CC | HB1 | 125.3° | 120.0° |
NA | CB | CC | HB2 | 125.3° | 120.0° |
NA | CB | HB1 | HB2 | 117.6° | 119.9° |
NA | CB | CC | CG | 116.5° | 180.0° |
NA | CB | CC | HCC1 | 118.3° | 60.0° |
NA | CB | CC | HCC2 | 8.8° | 60.0° |
HNA1 | NA | CB | CC | 92.8° | 66.2° |
HNA1 | NA | CB | HB1 | 141.9° | 173.8° |
HNA1 | NA | CB | HB2 | 32.4° | 53.8° |
CC | CB | HB1 | HB2 | 117.5° | 120.0° |
CB | CC | CG | HCC1 | 125.3° | 120.0° |
CB | CC | CG | HCC2 | 125.3° | 120.1° |
CB | CC | HCC1 | HCC2 | 118.0° | 120.0° |
CB | CC | CG | ND | 79.5° | 180.0° |
CB | CC | CG | HG1 | 155.3° | 60.0° |
CB | CC | CG | HG2 | 45.7° | 60.0° |
HB1 | CB | CC | CG | 8.8° | 60.0° |
HB1 | CB | CC | HCC1 | 116.4° | 180.0° |
HB1 | CB | CC | HCC2 | 134.1° | 60.0° |
HB2 | CB | CC | CG | 118.2° | 60.0° |
HB2 | CB | CC | HCC1 | 7.0° | 60.0° |
HB2 | CB | CC | HCC2 | 116.5° | 180.0° |
CG | CC | HCC1 | HCC2 | 118.0° | 119.9° |
CC | CG | ND | HG1 | 125.2° | 120.1° |
CC | CG | ND | HG2 | 125.3° | 120.1° |
CC | CG | HG1 | HG2 | 118.0° | 120.0° |
CC | CG | ND | CE | 112.7° | 66.2° |
CC | CG | ND | C5' | 130.2° | 180.0° |
HCC1 | CC | CG | ND | 45.8° | 60.0° |
HCC1 | CC | CG | HG1 | 79.4° | 180.0° |
HCC1 | CC | CG | HG2 | 171.0° | 60.0° |
HCC2 | CC | CG | ND | 155.2° | 60.0° |
HCC2 | CC | CG | HG1 | 30.0° | 60.1° |
HCC2 | CC | CG | HG2 | 79.5° | 180.0° |
ND | CG | HG1 | HG2 | 117.9° | 119.9° |
CG | ND | CE | C5' | 117.1° | 113.8° |
CG | ND | CE | HE1 | 180.0° | 179.9° |
CG | ND | CE | HE2 | 54.8° | 60.0° |
CG | ND | CE | HE3 | 54.8° | 60.0° |
CG | ND | C5' | C4' | 176.3° | 180.0° |
CG | ND | C5' | H5'1 | 51.1° | 60.0° |
CG | ND | C5' | H5'2 | 58.5° | 60.0° |
HG1 | CG | ND | CE | 122.1° | 53.8° |
HG1 | CG | ND | C5' | 5.0° | 59.9° |
HG2 | CG | ND | CE | 12.6° | 173.7° |
HG2 | CG | ND | C5' | 104.5° | 60.0° |
ND | CE | HE1 | HE2 | 125.2° | 120.1° |
ND | CE | HE1 | HE3 | 125.3° | 120.0° |
ND | CE | HE2 | HE3 | 119.1° | 120.0° |
CE | ND | C5' | C4' | 67.7° | 66.3° |
CE | ND | C5' | H5'1 | 167.1° | 173.8° |
CE | ND | C5' | H5'2 | 57.6° | 53.8° |
C5' | ND | CE | HE1 | 62.9° | 66.3° |
C5' | ND | CE | HE2 | 62.3° | 53.8° |
C5' | ND | CE | HE3 | 171.9° | 173.8° |
ND | C5' | C4' | H5'1 | 125.3° | 120.0° |
ND | C5' | C4' | H5'2 | 125.3° | 120.1° |
ND | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
ND | C5' | C4' | O4' | 39.1° | 61.7° |
ND | C5' | C4' | C3' | 158.2° | 179.7° |
ND | C5' | C4' | H4' | 83.3° | 59.4° |
HE1 | CE | HE2 | HE3 | 119.0° | 119.9° |
C4' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
C5' | C4' | O4' | C3' | 124.7° | 119.6° |
C5' | C4' | O4' | H4' | 116.5° | 121.0° |
C5' | C4' | C3' | H4' | 116.3° | 121.0° |
C5' | C4' | O4' | C1' | 122.2° | 146.0° |
C5' | C4' | C3' | C2' | 95.5° | 121.4° |
C5' | C4' | C3' | O3' | 147.5° | 119.8° |
C5' | C4' | C3' | H3' | 27.8° | 2.9° |
H5'1 | C5' | C4' | O4' | 86.2° | 58.3° |
H5'1 | C5' | C4' | C3' | 32.9° | 59.7° |
H5'1 | C5' | C4' | H4' | 151.4° | 179.3° |
H5'2 | C5' | C4' | O4' | 164.4° | 178.2° |
H5'2 | C5' | C4' | C3' | 76.6° | 60.2° |
H5'2 | C5' | C4' | H4' | 41.9° | 60.7° |
O4' | C4' | C3' | H4' | 122.5° | 119.5° |
C4' | O4' | C1' | N9 | 143.8° | 158.8° |
C4' | O4' | C1' | C2' | 21.9° | 40.0° |
C4' | O4' | C1' | H1' | 97.9° | 78.4° |
O4' | C4' | C3' | C2' | 25.7° | 1.9° |
O4' | C4' | C3' | O3' | 91.3° | 120.7° |
O4' | C4' | C3' | H3' | 149.0° | 116.7° |
C3' | C4' | O4' | C1' | 2.5° | 26.4° |
C4' | C3' | C2' | C1' | 37.5° | 21.0° |
C4' | C3' | C2' | O2' | 156.1° | 139.2° |
C4' | C3' | C2' | O3' | 117.0° | 119.0° |
C4' | C3' | C2' | H3' | 123.3° | 118.5° |
C4' | C3' | C2' | H2' | 86.4° | 97.2° |
C4' | C3' | O3' | H3' | 123.9° | 122.6° |
C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
H4' | C4' | O4' | C1' | 121.3° | 93.0° |
H4' | C4' | C3' | C2' | 148.2° | 117.6° |
H4' | C4' | C3' | O3' | 31.2° | 1.2° |
H4' | C4' | C3' | H3' | 88.5° | 123.8° |
O4' | C1' | N9 | C2' | 116.7° | 114.2° |
O4' | C1' | N9 | H1' | 123.2° | 122.9° |
O4' | C1' | C2' | H1' | 123.2° | 118.5° |
O4' | C1' | N9 | C4 | 46.0° | 151.8° |
O4' | C1' | N9 | C8 | 133.8° | 28.7° |
O4' | C1' | C2' | O2' | 157.3° | 155.2° |
O4' | C1' | C2' | C3' | 37.1° | 37.1° |
O4' | C1' | C2' | H2' | 85.3° | 81.2° |
N9 | C1' | C2' | H1' | 118.4° | 122.9° |
C1' | N9 | C4 | C8 | 179.8° | 179.6° |
C1' | N9 | C4 | N3 | 0.3° | 1.0° |
C1' | N9 | C4 | C5 | 180.0° | 179.9° |
C1' | N9 | C8 | N7 | 179.9° | 179.9° |
C1' | N9 | C8 | H8 | 0.1° | 0.1° |
N9 | C1' | C2' | O2' | 84.3° | 86.1° |
N9 | C1' | C2' | C3' | 155.6° | 155.7° |
N9 | C1' | C2' | H2' | 33.2° | 37.4° |
C2' | C1' | N9 | C4 | 70.8° | 94.0° |
C2' | C1' | N9 | C8 | 109.4° | 85.5° |
C1' | C2' | O2' | C3' | 112.6° | 112.7° |
C1' | C2' | O2' | H2' | 124.3° | 123.6° |
C1' | C2' | C3' | H2' | 123.8° | 118.2° |
C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
C1' | C2' | C3' | O3' | 79.5° | 98.0° |
C1' | C2' | C3' | H3' | 160.8° | 139.5° |
H1' | C1' | N9 | C4 | 169.2° | 29.0° |
H1' | C1' | N9 | C8 | 10.6° | 151.5° |
H1' | C1' | C2' | O2' | 34.1° | 36.8° |
H1' | C1' | C2' | C3' | 86.0° | 81.4° |
H1' | C1' | C2' | H2' | 151.5° | 160.3° |
N9 | C4 | N3 | C5 | 179.7° | 178.9° |
N9 | C4 | N3 | C2 | 179.8° | 179.6° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N7 | 0.1° | 0.4° |
C4 | N9 | C8 | N7 | 0.1° | 0.3° |
C4 | N9 | C8 | H8 | 179.9° | 179.7° |
C8 | N9 | C4 | N3 | 179.9° | 179.4° |
C8 | N9 | C4 | C5 | 0.1° | 0.5° |
N9 | C8 | N7 | C5 | 0.0° | 0.1° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 0.1° | 0.4° |
C4 | N3 | C2 | H2 | 179.9° | 179.7° |
N3 | C4 | C5 | C6 | 0.0° | 0.6° |
N3 | C4 | C5 | N7 | 179.9° | 179.6° |
C5 | C4 | N3 | C2 | 0.1° | 0.7° |
C4 | C5 | C6 | N1 | 0.2° | 0.3° |
C4 | C5 | C6 | N6 | 179.7° | 179.7° |
C4 | C5 | C6 | N7 | 179.8° | 179.7° |
C4 | C5 | N7 | C8 | 0.1° | 0.2° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.0° | 0.1° |
C2 | N1 | C6 | N6 | 179.7° | 180.0° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
H2 | C2 | N1 | C6 | 179.9° | 179.9° |
N1 | C6 | N6 | C5 | 179.9° | 180.0° |
N1 | C6 | N6 | HN61 | 180.0° | 0.0° |
N1 | C6 | N6 | HN62 | 54.8° | 180.0° |
N1 | C6 | C5 | N7 | 180.0° | 180.0° |
C6 | N6 | HN61 | HN62 | 125.2° | 179.9° |
N6 | C6 | C5 | N7 | 0.1° | 0.0° |
C5 | C6 | N6 | HN61 | 0.0° | 180.0° |
C5 | C6 | N6 | HN62 | 125.1° | 0.0° |
C6 | C5 | N7 | C8 | 179.7° | 180.0° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
O2' | C2' | C3' | H2' | 117.5° | 123.6° |
O2' | C2' | C3' | O3' | 39.1° | 20.3° |
O2' | C2' | C3' | H3' | 80.6° | 102.3° |
C3' | C2' | O2' | HO2' | 67.4° | 67.3° |
C2' | C3' | O3' | H3' | 123.8° | 122.6° |
C2' | C3' | O3' | HO3' | 67.7° | 61.5° |
H2' | C2' | O2' | HO2' | 55.7° | 56.3° |
H2' | C2' | C3' | O3' | 156.6° | 143.8° |
H2' | C2' | C3' | H3' | 37.0° | 21.3° |
H3' | C3' | O3' | HO3' | 56.1° | 61.2° |