A2M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.49Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.40Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | CM' | sing | 1.43Å | 1.47Å | |
C1' | N9 | sing | 1.47Å | 1.45Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
CM' | HM'1 | sing | 1.09Å | 1.10Å | |
CM' | HM'2 | sing | 1.09Å | 1.10Å | |
CM' | HM'3 | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
N6 | H61 | sing | 0.97Å | 1.00Å | |
N6 | H62 | sing | 0.97Å | 1.00Å | |
N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
P | OP2 | sing | 1.61Å | 1.72Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP3 | 119.7° | 109.5° |
OP1 | P | O5' | 105.5° | 109.5° |
OP1 | P | OP2 | 103.7° | 109.5° |
OP3 | P | O5' | 110.6° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
OP3 | P | OP2 | 98.1° | 109.5° |
P | O5' | C5' | 120.8° | 123.0° |
O5' | P | OP2 | 119.9° | 109.5° |
O5' | C5' | C4' | 110.3° | 109.5° |
O5' | C5' | H5' | 109.2° | 109.5° |
O5' | C5' | H5'' | 109.2° | 109.5° |
C4' | C5' | H5' | 109.2° | 109.5° |
C4' | C5' | H5'' | 109.2° | 109.5° |
C5' | C4' | O4' | 109.7° | 109.9° |
C5' | C4' | C3' | 111.2° | 109.9° |
C5' | C4' | H4' | 107.1° | 109.9° |
H5' | C5' | H5'' | 109.8° | 109.4° |
O4' | C4' | C3' | 106.1° | 107.3° |
O4' | C4' | H4' | 112.1° | 109.9° |
C4' | O4' | C1' | 109.7° | 107.0° |
C3' | C4' | H4' | 110.7° | 110.0° |
C4' | C3' | O3' | 108.7° | 110.5° |
C4' | C3' | C2' | 104.9° | 104.2° |
C4' | C3' | H3' | 116.6° | 110.5° |
O4' | C1' | C2' | 109.7° | 103.5° |
O4' | C1' | N9 | 109.8° | 110.6° |
O4' | C1' | H1' | 113.8° | 110.5° |
O3' | C3' | C2' | 118.5° | 110.5° |
O3' | C3' | H3' | 102.4° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C2' | C3' | H3' | 106.4° | 110.6° |
C3' | C2' | O2' | 115.9° | 110.9° |
C3' | C2' | C1' | 101.1° | 102.1° |
C3' | C2' | H2' | 110.6° | 110.9° |
O2' | C2' | C1' | 108.4° | 110.9° |
O2' | C2' | H2' | 103.6° | 110.8° |
C2' | O2' | CM' | 111.5° | 114.0° |
C1' | C2' | H2' | 117.9° | 110.9° |
C2' | C1' | N9 | 120.2° | 110.7° |
C2' | C1' | H1' | 101.5° | 110.7° |
O2' | CM' | HM'1 | 109.5° | 109.5° |
O2' | CM' | HM'2 | 109.5° | 109.5° |
O2' | CM' | HM'3 | 109.4° | 109.4° |
N9 | C1' | H1' | 101.4° | 110.7° |
C1' | N9 | C8 | 131.2° | 126.3° |
C1' | N9 | C4 | 122.7° | 126.2° |
HM'1 | CM' | HM'2 | 109.5° | 109.5° |
HM'1 | CM' | HM'3 | 109.4° | 109.4° |
HM'2 | CM' | HM'3 | 109.5° | 109.5° |
C8 | N9 | C4 | 106.2° | 107.5° |
N9 | C8 | N7 | 113.4° | 110.0° |
N9 | C8 | H8 | 123.3° | 125.0° |
N9 | C4 | C5 | 105.9° | 105.9° |
N9 | C4 | N3 | 126.9° | 134.9° |
N7 | C8 | H8 | 123.3° | 125.0° |
C8 | N7 | C5 | 103.8° | 109.4° |
N7 | C5 | C6 | 132.4° | 134.6° |
N7 | C5 | C4 | 110.7° | 107.2° |
C6 | C5 | C4 | 116.9° | 118.2° |
C5 | C6 | N6 | 123.4° | 120.8° |
C5 | C6 | N1 | 117.7° | 118.4° |
C5 | C4 | N3 | 127.2° | 119.1° |
N6 | C6 | N1 | 118.8° | 120.8° |
C6 | N6 | H61 | 109.5° | 120.0° |
C6 | N6 | H62 | 109.5° | 120.0° |
C6 | N1 | C2 | 118.5° | 121.2° |
H61 | N6 | H62 | 109.4° | 120.0° |
N1 | C2 | N3 | 129.1° | 122.5° |
N1 | C2 | H2 | 115.4° | 118.7° |
N3 | C2 | H2 | 115.4° | 118.8° |
C2 | N3 | C4 | 110.6° | 120.6° |
P | OP2 | HOP2 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP3 | O5' | 122.9° | 120.0° |
OP1 | P | OP3 | OP2 | 110.9° | 120.0° |
OP1 | P | O5' | OP2 | 116.3° | 120.0° |
OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
OP1 | P | O5' | C5' | 165.0° | 55.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
OP3 | P | O5' | OP2 | 112.9° | 120.0° |
OP3 | P | O5' | C5' | 64.1° | 65.0° |
OP3 | P | OP2 | HOP2 | 123.4° | 60.0° |
O5' | P | OP3 | HOP3 | 122.9° | 60.0° |
P | O5' | C5' | C4' | 169.3° | 180.0° |
P | O5' | C5' | H5' | 70.7° | 60.0° |
P | O5' | C5' | H5'' | 49.3° | 60.0° |
O5' | P | OP2 | HOP2 | 117.2° | 180.0° |
HOP3 | OP3 | P | OP2 | 110.9° | 60.0° |
O5' | C5' | C4' | H5' | 120.0° | 120.0° |
O5' | C5' | C4' | H5'' | 120.0° | 120.0° |
O5' | C5' | H5' | H5'' | 119.7° | 120.0° |
O5' | C5' | C4' | O4' | 58.8° | 66.5° |
O5' | C5' | C4' | C3' | 58.3° | 175.7° |
O5' | C5' | C4' | H4' | 179.4° | 54.6° |
C5' | O5' | P | OP2 | 48.8° | 175.0° |
C4' | C5' | H5' | H5'' | 119.7° | 120.0° |
C5' | C4' | O4' | C3' | 120.2° | 119.4° |
C5' | C4' | O4' | H4' | 118.9° | 121.0° |
C5' | C4' | C3' | H4' | 118.9° | 121.1° |
C5' | C4' | O4' | C1' | 112.8° | 145.9° |
C5' | C4' | C3' | O3' | 136.3° | 119.9° |
C5' | C4' | C3' | C2' | 96.1° | 121.5° |
C5' | C4' | C3' | H3' | 21.3° | 2.6° |
H5' | C5' | C4' | O4' | 178.7° | 53.6° |
H5' | C5' | C4' | C3' | 61.7° | 64.3° |
H5' | C5' | C4' | H4' | 59.4° | 174.6° |
H5'' | C5' | C4' | O4' | 61.2° | 173.5° |
H5'' | C5' | C4' | C3' | 178.3° | 55.7° |
H5'' | C5' | C4' | H4' | 60.6° | 65.4° |
O4' | C4' | C3' | H4' | 121.8° | 119.5° |
O4' | C4' | C3' | O3' | 104.4° | 120.7° |
O4' | C4' | C3' | C2' | 23.2° | 2.0° |
O4' | C4' | C3' | H3' | 140.6° | 116.8° |
C4' | O4' | C1' | C2' | 11.8° | 40.0° |
C4' | O4' | C1' | N9 | 146.0° | 158.6° |
C4' | O4' | C1' | H1' | 101.2° | 78.5° |
C3' | C4' | O4' | C1' | 7.4° | 26.5° |
C4' | C3' | O3' | C2' | 119.4° | 114.8° |
C4' | C3' | O3' | H3' | 123.9° | 122.6° |
C4' | C3' | C2' | H3' | 124.1° | 118.8° |
C4' | C3' | O3' | HO3' | 180.0° | 61.4° |
C4' | C3' | C2' | O2' | 145.4° | 139.1° |
C4' | C3' | C2' | C1' | 28.5° | 20.9° |
C4' | C3' | C2' | H2' | 97.1° | 97.4° |
H4' | C4' | O4' | C1' | 128.3° | 93.1° |
H4' | C4' | C3' | O3' | 17.4° | 1.2° |
H4' | C4' | C3' | C2' | 145.0° | 117.5° |
H4' | C4' | C3' | H3' | 97.6° | 123.7° |
O4' | C1' | C2' | C3' | 25.4° | 37.0° |
O4' | C1' | C2' | O2' | 147.7° | 155.2° |
O4' | C1' | C2' | N9 | 128.7° | 118.5° |
O4' | C1' | C2' | H1' | 120.7° | 118.4° |
O4' | C1' | C2' | H2' | 95.2° | 81.2° |
O4' | C1' | N9 | H1' | 120.7° | 122.8° |
O4' | C1' | N9 | C8 | 75.5° | 23.6° |
O4' | C1' | N9 | C4 | 104.2° | 156.7° |
O3' | C3' | C2' | H3' | 114.5° | 122.5° |
O3' | C3' | C2' | O2' | 24.0° | 20.4° |
O3' | C3' | C2' | C1' | 92.8° | 97.8° |
O3' | C3' | C2' | H2' | 141.5° | 143.9° |
C2' | C3' | O3' | HO3' | 60.5° | 176.2° |
C3' | C2' | O2' | C1' | 112.7° | 112.7° |
C3' | C2' | O2' | H2' | 121.3° | 123.6° |
C3' | C2' | C1' | H2' | 120.6° | 118.2° |
C3' | C2' | O2' | CM' | 99.9° | 91.5° |
C3' | C2' | C1' | N9 | 154.1° | 155.5° |
C3' | C2' | C1' | H1' | 95.3° | 81.4° |
H3' | C3' | O3' | HO3' | 56.1° | 61.1° |
H3' | C3' | C2' | O2' | 90.5° | 102.1° |
H3' | C3' | C2' | C1' | 152.7° | 139.7° |
H3' | C3' | C2' | H2' | 27.0° | 21.4° |
O2' | C2' | C1' | H2' | 117.1° | 123.6° |
O2' | C2' | C1' | N9 | 83.6° | 86.3° |
O2' | C2' | C1' | H1' | 27.0° | 36.8° |
C2' | O2' | CM' | HM'1 | 180.0° | 180.0° |
C2' | O2' | CM' | HM'2 | 60.0° | 59.9° |
C2' | O2' | CM' | HM'3 | 60.0° | 60.0° |
C1' | C2' | O2' | CM' | 147.3° | 155.8° |
C2' | C1' | N9 | H1' | 110.6° | 123.1° |
C2' | C1' | N9 | C8 | 53.1° | 90.5° |
C2' | C1' | N9 | C4 | 127.2° | 89.2° |
H2' | C2' | O2' | CM' | 21.4° | 32.1° |
H2' | C2' | C1' | N9 | 33.5° | 37.3° |
H2' | C2' | C1' | H1' | 144.1° | 160.4° |
O2' | CM' | HM'1 | HM'2 | 120.0° | 120.1° |
O2' | CM' | HM'1 | HM'3 | 120.0° | 119.9° |
O2' | CM' | HM'2 | HM'3 | 120.0° | 119.9° |
C1' | N9 | C8 | C4 | 179.7° | 179.7° |
C1' | N9 | C8 | N7 | 179.6° | 180.0° |
C1' | N9 | C8 | H8 | 0.4° | 0.0° |
C1' | N9 | C4 | C5 | 179.5° | 179.9° |
C1' | N9 | C4 | N3 | 0.1° | 0.8° |
H1' | C1' | N9 | C8 | 163.8° | 146.5° |
H1' | C1' | N9 | C4 | 16.5° | 33.9° |
HM'1 | CM' | HM'2 | HM'3 | 120.0° | 120.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
C8 | N9 | C4 | C5 | 0.2° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C4 | N9 | C8 | N7 | 0.1° | 0.3° |
C4 | N9 | C8 | H8 | 179.9° | 179.8° |
N9 | C4 | C5 | N7 | 0.3° | 0.4° |
N9 | C4 | C5 | C6 | 179.5° | 179.8° |
N9 | C4 | C5 | N3 | 179.7° | 179.3° |
N9 | C4 | N3 | C2 | 180.0° | 179.6° |
C8 | N7 | C5 | C6 | 179.5° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.2° |
H8 | C8 | N7 | C5 | 180.0° | 180.0° |
N7 | C5 | C6 | C4 | 179.7° | 179.7° |
N7 | C5 | C6 | N6 | 1.0° | 0.0° |
N7 | C5 | C6 | N1 | 179.5° | 180.0° |
N7 | C5 | C4 | N3 | 180.0° | 179.7° |
C5 | C6 | N6 | N1 | 179.5° | 180.0° |
C5 | C6 | N6 | H61 | 179.5° | 0.0° |
C5 | C6 | N6 | H62 | 59.5° | 180.0° |
C5 | C6 | N1 | C2 | 0.8° | 0.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.5° |
C4 | C5 | C6 | N6 | 178.7° | 179.7° |
C4 | C5 | C6 | N1 | 0.8° | 0.3° |
C5 | C4 | N3 | C2 | 0.3° | 0.6° |
C6 | N6 | H61 | H62 | 120.0° | 179.9° |
N6 | C6 | N1 | C2 | 178.8° | 179.9° |
N1 | C6 | N6 | H61 | 0.0° | 180.0° |
N1 | C6 | N6 | H62 | 120.0° | 0.1° |
C6 | N1 | C2 | N3 | 0.2° | 0.1° |
C6 | N1 | C2 | H2 | 179.8° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.4° | 0.3° |
H2 | C2 | N3 | C4 | 179.6° | 179.7° |