CMP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.47Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
P | O3' | sing | 1.61Å | 1.60Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.44Å | 1.44Å | |
C5' | C4' | sing | 1.52Å | 1.50Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.43Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.45Å | 1.42Å | |
C3' | O3' | sing | 1.41Å | 1.41Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.31Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 120.3° | 109.2° |
O1P | P | O5' | 104.0° | 109.2° |
O1P | P | O3' | 108.1° | 109.1° |
O2P | P | O5' | 111.6° | 109.2° |
O2P | P | O3' | 107.7° | 109.2° |
P | O2P | HOP2 | 120.3° | 106.8° |
O5' | P | O3' | 104.0° | 110.9° |
P | O5' | C5' | 122.5° | 108.6° |
P | O3' | C3' | 117.8° | 105.4° |
O5' | C5' | C4' | 110.4° | 107.7° |
O5' | C5' | H5'1 | 111.9° | 109.8° |
O5' | C5' | H5'2 | 111.9° | 109.8° |
C4' | C5' | H5'1 | 111.8° | 109.8° |
C4' | C5' | H5'2 | 111.8° | 109.9° |
C5' | C4' | O4' | 111.7° | 115.7° |
C5' | C4' | C3' | 112.3° | 108.2° |
C5' | C4' | H4' | 103.8° | 109.8° |
H5'1 | C5' | H5'2 | 98.6° | 109.9° |
O4' | C4' | C3' | 101.4° | 102.9° |
O4' | C4' | H4' | 114.3° | 109.9° |
C4' | O4' | C1' | 109.0° | 105.6° |
C3' | C4' | H4' | 113.7° | 110.0° |
C4' | C3' | O3' | 104.4° | 107.3° |
C4' | C3' | C2' | 101.0° | 101.1° |
C4' | C3' | H3' | 121.1° | 110.3° |
O4' | C1' | C2' | 106.7° | 107.3° |
O4' | C1' | N9 | 108.5° | 109.9° |
O4' | C1' | H1' | 114.3° | 109.9° |
O3' | C3' | C2' | 118.1° | 115.5° |
O3' | C3' | H3' | 105.0° | 110.7° |
C2' | C3' | H3' | 108.1° | 111.3° |
C3' | C2' | O2' | 111.1° | 110.6° |
C3' | C2' | C1' | 100.0° | 103.1° |
C3' | C2' | H2' | 114.4° | 110.6° |
O2' | C2' | C1' | 109.2° | 111.3° |
O2' | C2' | H2' | 106.0° | 110.6° |
C2' | O2' | HO2' | 111.1° | 106.8° |
C1' | C2' | H2' | 116.1° | 110.4° |
C2' | C1' | N9 | 115.7° | 109.9° |
C2' | C1' | H1' | 106.9° | 109.9° |
N9 | C1' | H1' | 105.0° | 109.9° |
C1' | N9 | C8 | 130.6° | 126.3° |
C1' | N9 | C4 | 123.7° | 126.3° |
C8 | N9 | C4 | 105.7° | 107.4° |
N9 | C8 | N7 | 113.7° | 110.0° |
N9 | C8 | H8 | 125.3° | 125.1° |
N9 | C4 | C5 | 105.9° | 106.1° |
N9 | C4 | N3 | 127.6° | 134.8° |
N7 | C8 | H8 | 121.0° | 125.0° |
C8 | N7 | C5 | 103.6° | 109.4° |
N7 | C5 | C6 | 132.4° | 134.6° |
N7 | C5 | C4 | 111.1° | 107.1° |
C6 | C5 | C4 | 116.6° | 118.2° |
C5 | C6 | N6 | 123.0° | 120.8° |
C5 | C6 | N1 | 118.1° | 118.4° |
C5 | C4 | N3 | 126.5° | 119.1° |
N6 | C6 | N1 | 118.9° | 120.8° |
C6 | N6 | HN61 | 123.0° | 120.0° |
C6 | N6 | HN62 | 107.4° | 120.0° |
C6 | N1 | C2 | 119.2° | 121.2° |
HN61 | N6 | HN62 | 107.4° | 120.0° |
N1 | C2 | N3 | 129.1° | 122.5° |
N1 | C2 | H2 | 114.7° | 118.8° |
N3 | C2 | H2 | 116.1° | 118.7° |
C2 | N3 | C4 | 110.5° | 120.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O5' | 122.2° | 119.3° |
O1P | P | O2P | O3' | 124.3° | 119.2° |
O1P | P | O5' | O3' | 113.1° | 120.3° |
O1P | P | O2P | HOP2 | 180.0° | 59.3° |
O1P | P | O5' | C5' | 152.3° | 65.2° |
O1P | P | O3' | C3' | 101.2° | 62.6° |
O2P | P | O5' | O3' | 115.8° | 120.4° |
O2P | P | O5' | C5' | 76.6° | 175.5° |
O2P | P | O3' | C3' | 127.4° | 178.1° |
O5' | P | O2P | HOP2 | 57.9° | 60.0° |
P | O5' | C5' | C4' | 28.4° | 59.1° |
P | O5' | C5' | H5'1 | 96.8° | 60.4° |
P | O5' | C5' | H5'2 | 153.7° | 178.7° |
O5' | P | O3' | C3' | 8.9° | 57.7° |
O3' | P | O2P | HOP2 | 55.7° | 178.5° |
O3' | P | O5' | C5' | 39.2° | 55.1° |
P | O3' | C3' | C4' | 59.3° | 64.6° |
P | O3' | C3' | C2' | 170.4° | 176.5° |
P | O3' | C3' | H3' | 69.1° | 55.9° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.5° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.5° |
O5' | C5' | H5'1 | H5'2 | 117.8° | 120.8° |
O5' | C5' | C4' | O4' | 141.8° | 176.9° |
O5' | C5' | C4' | C3' | 28.6° | 68.2° |
O5' | C5' | C4' | H4' | 94.6° | 51.8° |
C4' | C5' | H5'1 | H5'2 | 117.7° | 120.9° |
C5' | C4' | O4' | C3' | 119.8° | 117.9° |
C5' | C4' | O4' | H4' | 117.5° | 125.0° |
C5' | C4' | C3' | H4' | 117.5° | 119.9° |
C5' | C4' | O4' | C1' | 149.8° | 161.2° |
C5' | C4' | C3' | O3' | 72.4° | 72.9° |
C5' | C4' | C3' | C2' | 164.5° | 165.7° |
C5' | C4' | C3' | H3' | 45.4° | 47.7° |
H5'1 | C5' | C4' | O4' | 92.9° | 63.6° |
H5'1 | C5' | C4' | C3' | 153.9° | 51.3° |
H5'1 | C5' | C4' | H4' | 30.6° | 171.3° |
H5'2 | C5' | C4' | O4' | 16.5° | 57.4° |
H5'2 | C5' | C4' | C3' | 96.7° | 172.2° |
H5'2 | C5' | C4' | H4' | 140.1° | 67.7° |
O4' | C4' | C3' | H4' | 123.1° | 117.0° |
O4' | C4' | C3' | O3' | 168.2° | 164.1° |
O4' | C4' | C3' | C2' | 45.2° | 42.6° |
O4' | C4' | C3' | H3' | 73.9° | 75.3° |
C4' | O4' | C1' | C2' | 2.8° | 26.7° |
C4' | O4' | C1' | N9 | 128.0° | 146.2° |
C4' | O4' | C1' | H1' | 115.2° | 92.8° |
C3' | C4' | O4' | C1' | 30.0° | 43.4° |
C4' | C3' | O3' | C2' | 111.1° | 111.9° |
C4' | C3' | O3' | H3' | 128.4° | 120.5° |
C4' | C3' | C2' | H3' | 128.1° | 117.2° |
C4' | C3' | C2' | O2' | 72.5° | 93.6° |
C4' | C3' | C2' | C1' | 42.7° | 25.5° |
C4' | C3' | C2' | H2' | 167.5° | 143.5° |
H4' | C4' | O4' | C1' | 92.7° | 73.7° |
H4' | C4' | C3' | O3' | 45.1° | 47.0° |
H4' | C4' | C3' | C2' | 78.0° | 74.4° |
H4' | C4' | C3' | H3' | 162.9° | 167.7° |
O4' | C1' | C2' | C3' | 25.3° | 1.0° |
O4' | C1' | C2' | O2' | 91.4° | 117.6° |
O4' | C1' | C2' | N9 | 120.8° | 119.5° |
O4' | C1' | C2' | H1' | 122.7° | 119.4° |
O4' | C1' | C2' | H2' | 148.9° | 119.2° |
O4' | C1' | N9 | H1' | 122.6° | 121.1° |
O4' | C1' | N9 | C8 | 42.2° | 28.2° |
O4' | C1' | N9 | C4 | 136.3° | 151.7° |
O3' | C3' | C2' | H3' | 118.9° | 127.3° |
O3' | C3' | C2' | O2' | 40.4° | 21.9° |
O3' | C3' | C2' | C1' | 155.6° | 141.0° |
O3' | C3' | C2' | H2' | 79.5° | 100.9° |
C3' | C2' | O2' | C1' | 109.4° | 114.0° |
C3' | C2' | O2' | H2' | 124.9° | 122.9° |
C3' | C2' | C1' | H2' | 123.6° | 118.2° |
C3' | C2' | O2' | HO2' | 180.0° | 180.0° |
C3' | C2' | C1' | N9 | 95.5° | 118.5° |
C3' | C2' | C1' | H1' | 148.0° | 120.5° |
H3' | C3' | C2' | O2' | 159.3° | 149.2° |
H3' | C3' | C2' | C1' | 85.5° | 91.7° |
H3' | C3' | C2' | H2' | 39.3° | 26.4° |
O2' | C2' | C1' | H2' | 119.7° | 123.2° |
O2' | C2' | C1' | N9 | 147.8° | 122.9° |
O2' | C2' | C1' | H1' | 31.3° | 1.8° |
C1' | C2' | O2' | HO2' | 70.6° | 66.0° |
C2' | C1' | N9 | H1' | 117.6° | 121.0° |
C2' | C1' | N9 | C8 | 77.6° | 89.7° |
C2' | C1' | N9 | C4 | 103.9° | 90.4° |
H2' | C2' | O2' | HO2' | 55.1° | 57.1° |
H2' | C2' | C1' | N9 | 28.1° | 0.3° |
H2' | C2' | C1' | H1' | 88.4° | 121.4° |
C1' | N9 | C8 | C4 | 178.6° | 179.9° |
C1' | N9 | C8 | N7 | 177.2° | 180.0° |
C1' | N9 | C8 | H8 | 2.8° | 0.0° |
C1' | N9 | C4 | C5 | 177.7° | 179.8° |
C1' | N9 | C4 | N3 | 1.8° | 0.0° |
H1' | C1' | N9 | C8 | 164.8° | 149.2° |
H1' | C1' | N9 | C4 | 13.7° | 30.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 1.1° | 0.2° |
C8 | N9 | C4 | C5 | 1.1° | 0.3° |
C8 | N9 | C4 | N3 | 179.5° | 180.0° |
C4 | N9 | C8 | N7 | 1.4° | 0.0° |
C4 | N9 | C8 | H8 | 178.6° | 179.9° |
N9 | C4 | C5 | N7 | 0.5° | 0.4° |
N9 | C4 | C5 | C6 | 179.6° | 179.6° |
N9 | C4 | C5 | N3 | 179.5° | 179.8° |
N9 | C4 | N3 | C2 | 179.2° | 180.0° |
C8 | N7 | C5 | C6 | 179.6° | 179.4° |
C8 | N7 | C5 | C4 | 0.3° | 0.4° |
H8 | C8 | N7 | C5 | 178.9° | 179.8° |
N7 | C5 | C6 | C4 | 179.9° | 179.0° |
N7 | C5 | C6 | N6 | 0.1° | 0.8° |
N7 | C5 | C6 | N1 | 179.7° | 179.5° |
N7 | C5 | C4 | N3 | 180.0° | 179.8° |
C5 | C6 | N6 | N1 | 179.8° | 179.7° |
C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
C5 | C6 | N6 | HN62 | 54.8° | 0.6° |
C5 | C6 | N1 | C2 | 0.4° | 0.2° |
C6 | C5 | C4 | N3 | 0.1° | 0.6° |
C4 | C5 | C6 | N6 | 179.8° | 179.8° |
C4 | C5 | C6 | N1 | 0.4° | 0.5° |
C5 | C4 | N3 | C2 | 0.1° | 0.3° |
C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
N6 | C6 | N1 | C2 | 179.8° | 179.9° |
N1 | C6 | N6 | HN61 | 0.2° | 0.0° |
N1 | C6 | N6 | HN62 | 125.4° | 179.7° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.2° | 0.1° |
H2 | C2 | N3 | C4 | 179.8° | 180.0° |