HAM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.55Å | 1.49Å | |
P | O2P | sing | 1.55Å | 1.47Å | |
P | O3P | sing | 1.61Å | 1.67Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
O3P | C | sing | 1.34Å | 1.32Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.45Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.54Å | 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 | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.01Å | |
N6 | HN62 | sing | 0.97Å | 1.01Å | |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
C | O | doub | 1.21Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.58Å | |
CA | N | sing | 1.47Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
N | HN1 | sing | 1.01Å | 1.05Å | |
N | HN2 | sing | 1.01Å | 1.03Å | |
N | HN3 | sing | 1.01Å | 1.02Å | |
CB | CG | sing | 1.51Å | 1.52Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
CG | ND1 | sing | 1.34Å | 1.39Å | Aromatic |
CD2 | NE2 | sing | 1.37Å | 1.40Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
ND1 | CE1 | doub | 1.31Å | 1.32Å | Aromatic |
CE1 | NE2 | sing | 1.35Å | 1.34Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
NE2 | HE2 | sing | 0.97Å | 0.98Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 117.7° | 109.5° |
O1P | P | O3P | 109.3° | 109.5° |
O1P | P | O5' | 106.3° | 109.5° |
O2P | P | O3P | 109.9° | 109.4° |
O2P | P | O5' | 106.8° | 109.5° |
O3P | P | O5' | 106.1° | 109.5° |
P | O3P | C | 122.2° | 120.0° |
P | O5' | C5' | 121.6° | 106.8° |
O3P | C | O | 126.3° | 120.0° |
O3P | C | CA | 123.0° | 120.0° |
O5' | C5' | C4' | 110.4° | 109.5° |
O5' | C5' | H5'1 | 111.9° | 109.5° |
O5' | C5' | H5'2 | 111.8° | 109.5° |
C4' | C5' | H5'1 | 111.9° | 109.5° |
C4' | C5' | H5'2 | 111.9° | 109.5° |
C5' | C4' | O4' | 108.7° | 110.4° |
C5' | C4' | C3' | 114.4° | 110.5° |
C5' | C4' | H4' | 105.3° | 110.3° |
H5'1 | C5' | H5'2 | 98.6° | 109.4° |
O4' | C4' | C3' | 105.0° | 104.8° |
O4' | C4' | H4' | 114.6° | 110.4° |
C4' | O4' | C1' | 109.9° | 105.3° |
C3' | C4' | H4' | 109.0° | 110.3° |
C4' | C3' | O3' | 110.5° | 110.5° |
C4' | C3' | C2' | 102.9° | 104.1° |
C4' | C3' | H3' | 114.1° | 110.5° |
O4' | C1' | C2' | 107.7° | 104.9° |
O4' | C1' | N9 | 108.1° | 110.4° |
O4' | C1' | H1' | 113.6° | 110.3° |
O3' | C3' | C2' | 112.5° | 110.6° |
O3' | C3' | H3' | 104.8° | 110.4° |
C3' | O3' | HO3' | 110.5° | 106.8° |
C2' | C3' | H3' | 112.1° | 110.6° |
C3' | C2' | O2' | 113.8° | 110.5° |
C3' | C2' | C1' | 101.6° | 104.0° |
C3' | C2' | H2' | 111.8° | 110.5° |
O2' | C2' | C1' | 109.1° | 110.8° |
O2' | C2' | H2' | 104.6° | 110.5° |
C2' | O2' | HO2' | 107.3° | 106.8° |
C1' | C2' | H2' | 116.2° | 110.4° |
C2' | C1' | N9 | 115.0° | 110.4° |
C2' | C1' | H1' | 106.6° | 110.4° |
N9 | C1' | H1' | 106.0° | 110.3° |
C1' | N9 | C8 | 127.7° | 126.3° |
C1' | N9 | C4 | 126.7° | 126.3° |
C8 | N9 | C4 | 105.7° | 107.5° |
N9 | C8 | N7 | 114.0° | 110.0° |
N9 | C8 | H8 | 125.2° | 125.0° |
N9 | C4 | C5 | 105.8° | 106.0° |
N9 | C4 | N3 | 127.4° | 134.9° |
N7 | C8 | H8 | 120.9° | 125.0° |
C8 | N7 | C5 | 103.9° | 109.4° |
N7 | C5 | C6 | 132.2° | 134.7° |
N7 | C5 | C4 | 110.7° | 107.2° |
C6 | C5 | C4 | 117.1° | 118.1° |
C5 | C6 | N6 | 123.9° | 120.7° |
C5 | C6 | N1 | 117.6° | 118.5° |
C5 | C4 | N3 | 126.8° | 119.1° |
N6 | C6 | N1 | 118.5° | 120.8° |
C6 | N6 | HN61 | 120.0° | 120.0° |
C6 | N6 | HN62 | 120.3° | 120.1° |
C6 | N1 | C2 | 118.7° | 121.2° |
HN61 | N6 | HN62 | 119.7° | 119.9° |
N1 | C2 | N3 | 129.2° | 122.4° |
N1 | C2 | H2 | 115.8° | 118.7° |
N3 | C2 | H2 | 115.0° | 118.8° |
C2 | N3 | C4 | 110.6° | 120.6° |
O | C | CA | 110.5° | 120.0° |
C | CA | N | 110.6° | 109.5° |
C | CA | CB | 113.6° | 109.5° |
C | CA | HA | 105.2° | 109.5° |
N | CA | CB | 107.7° | 109.5° |
N | CA | HA | 111.4° | 109.4° |
CA | N | HN1 | 107.1° | 109.5° |
CA | N | HN2 | 109.0° | 109.5° |
CA | N | HN3 | 109.4° | 109.4° |
CB | CA | HA | 108.3° | 109.5° |
CA | CB | CG | 114.4° | 109.5° |
CA | CB | HB1 | 110.4° | 109.5° |
CA | CB | HB2 | 110.4° | 109.5° |
HN1 | N | HN2 | 109.7° | 109.6° |
HN1 | N | HN3 | 109.8° | 109.4° |
HN2 | N | HN3 | 111.7° | 109.4° |
CG | CB | HB1 | 110.4° | 109.4° |
CG | CB | HB2 | 110.4° | 109.5° |
CB | CG | CD2 | 129.2° | 126.1° |
CB | CG | ND1 | 121.8° | 126.0° |
HB1 | CB | HB2 | 99.9° | 109.5° |
CD2 | CG | ND1 | 108.7° | 108.0° |
CG | CD2 | NE2 | 106.5° | 106.9° |
CG | CD2 | HD2 | 125.7° | 126.5° |
CG | ND1 | CE1 | 106.4° | 109.3° |
NE2 | CD2 | HD2 | 127.8° | 126.6° |
CD2 | NE2 | CE1 | 106.9° | 107.2° |
CD2 | NE2 | HE2 | 126.5° | 126.4° |
ND1 | CE1 | NE2 | 111.5° | 108.7° |
ND1 | CE1 | HE1 | 123.9° | 125.6° |
NE2 | CE1 | HE1 | 124.6° | 125.7° |
CE1 | NE2 | HE2 | 126.5° | 126.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 126.0° | 120.0° |
O1P | P | O2P | O5' | 119.3° | 120.0° |
O1P | P | O3P | O5' | 114.3° | 120.0° |
O1P | P | O3P | C | 163.4° | 65.0° |
O1P | P | O5' | C5' | 77.0° | 65.0° |
O2P | P | O3P | O5' | 115.1° | 120.0° |
O2P | P | O3P | C | 66.0° | 55.0° |
O2P | P | O5' | C5' | 156.6° | 55.0° |
O3P | P | O5' | C5' | 39.3° | 175.0° |
P | O3P | C | O | 5.7° | 0.1° |
P | O3P | C | CA | 179.9° | 180.0° |
O5' | P | O3P | C | 49.1° | 174.9° |
P | O5' | C5' | C4' | 145.3° | 180.0° |
P | O5' | C5' | H5'1 | 20.0° | 59.9° |
P | O5' | C5' | H5'2 | 89.5° | 60.0° |
O3P | C | O | CA | 174.9° | 179.9° |
O3P | C | CA | N | 164.1° | 159.9° |
O3P | C | CA | CB | 74.6° | 80.0° |
O3P | C | CA | HA | 43.6° | 40.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.8° | 119.9° |
O5' | C5' | C4' | O4' | 63.0° | 66.4° |
O5' | C5' | C4' | C3' | 54.0° | 178.1° |
O5' | C5' | C4' | H4' | 173.7° | 55.8° |
C4' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
C5' | C4' | O4' | C3' | 122.9° | 119.0° |
C5' | C4' | O4' | H4' | 117.5° | 122.2° |
C5' | C4' | C3' | H4' | 117.6° | 122.3° |
C5' | C4' | O4' | C1' | 140.2° | 159.4° |
C5' | C4' | C3' | O3' | 87.7° | 98.3° |
C5' | C4' | C3' | C2' | 151.9° | 142.9° |
C5' | C4' | C3' | H3' | 30.2° | 24.2° |
H5'1 | C5' | C4' | O4' | 171.8° | 173.6° |
H5'1 | C5' | C4' | C3' | 71.2° | 58.1° |
H5'1 | C5' | C4' | H4' | 48.5° | 64.2° |
H5'2 | C5' | C4' | O4' | 62.2° | 53.6° |
H5'2 | C5' | C4' | C3' | 179.2° | 61.9° |
H5'2 | C5' | C4' | H4' | 61.1° | 175.8° |
O4' | C4' | C3' | H4' | 123.3° | 118.8° |
O4' | C4' | C3' | O3' | 153.2° | 142.7° |
O4' | C4' | C3' | C2' | 32.8° | 24.0° |
O4' | C4' | C3' | H3' | 89.0° | 94.7° |
C4' | O4' | C1' | C2' | 5.4° | 40.4° |
C4' | O4' | C1' | N9 | 119.4° | 159.4° |
C4' | O4' | C1' | H1' | 123.2° | 78.5° |
C3' | C4' | O4' | C1' | 17.3° | 40.4° |
C4' | C3' | O3' | C2' | 114.4° | 114.7° |
C4' | C3' | O3' | H3' | 123.4° | 122.6° |
C4' | C3' | C2' | H3' | 123.1° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 82.3° | 118.8° |
C4' | C3' | C2' | C1' | 34.8° | 0.1° |
C4' | C3' | C2' | H2' | 159.4° | 118.6° |
H4' | C4' | O4' | C1' | 102.3° | 78.3° |
H4' | C4' | C3' | O3' | 29.9° | 23.9° |
H4' | C4' | C3' | C2' | 90.5° | 94.8° |
H4' | C4' | C3' | H3' | 147.7° | 146.5° |
O4' | C1' | C2' | C3' | 25.5° | 23.8° |
O4' | C1' | C2' | O2' | 95.0° | 142.6° |
O4' | C1' | C2' | N9 | 120.6° | 118.9° |
O4' | C1' | C2' | H1' | 122.2° | 118.8° |
O4' | C1' | C2' | H2' | 147.1° | 94.7° |
O4' | C1' | N9 | H1' | 122.2° | 122.1° |
O4' | C1' | N9 | C8 | 33.6° | 22.2° |
O4' | C1' | N9 | C4 | 145.3° | 158.0° |
O3' | C3' | C2' | H3' | 117.9° | 122.6° |
O3' | C3' | C2' | O2' | 36.7° | 0.1° |
O3' | C3' | C2' | C1' | 153.8° | 118.8° |
O3' | C3' | C2' | H2' | 81.6° | 122.7° |
C2' | C3' | O3' | HO3' | 65.6° | 65.3° |
C3' | C2' | O2' | C1' | 112.6° | 114.7° |
C3' | C2' | O2' | H2' | 122.3° | 122.6° |
C3' | C2' | C1' | H2' | 121.6° | 118.5° |
C3' | C2' | O2' | HO2' | 179.6° | 61.5° |
C3' | C2' | C1' | N9 | 95.1° | 142.7° |
C3' | C2' | C1' | H1' | 147.7° | 95.0° |
H3' | C3' | O3' | HO3' | 56.6° | 57.4° |
H3' | C3' | C2' | O2' | 154.6° | 122.5° |
H3' | C3' | C2' | C1' | 88.3° | 118.5° |
H3' | C3' | C2' | H2' | 36.3° | 0.1° |
O2' | C2' | C1' | H2' | 117.9° | 122.7° |
O2' | C2' | C1' | N9 | 144.4° | 98.5° |
O2' | C2' | C1' | H1' | 27.3° | 23.7° |
C1' | C2' | O2' | HO2' | 67.7° | 176.2° |
C2' | C1' | N9 | H1' | 117.5° | 122.3° |
C2' | C1' | N9 | C8 | 86.7° | 93.4° |
C2' | C1' | N9 | C4 | 94.4° | 86.5° |
H2' | C2' | O2' | HO2' | 57.3° | 61.1° |
H2' | C2' | C1' | N9 | 26.5° | 24.2° |
H2' | C2' | C1' | H1' | 90.7° | 146.5° |
C1' | N9 | C8 | C4 | 179.1° | 179.9° |
C1' | N9 | C8 | N7 | 178.6° | 180.0° |
C1' | N9 | C8 | H8 | 1.4° | 0.1° |
C1' | N9 | C4 | C5 | 178.7° | 179.7° |
C1' | N9 | C4 | N3 | 0.5° | 0.2° |
H1' | C1' | N9 | C8 | 155.8° | 144.3° |
H1' | C1' | N9 | C4 | 23.1° | 35.8° |
N9 | C8 | N7 | H8 | 179.9° | 179.9° |
N9 | C8 | N7 | C5 | 0.4° | 0.4° |
C8 | N9 | C4 | C5 | 0.4° | 0.2° |
C8 | N9 | C4 | N3 | 179.6° | 180.0° |
C4 | N9 | C8 | N7 | 0.5° | 0.1° |
C4 | N9 | C8 | H8 | 179.5° | 180.0° |
N9 | C4 | C5 | N7 | 0.1° | 0.4° |
N9 | C4 | C5 | C6 | 179.3° | 179.6° |
N9 | C4 | C5 | N3 | 179.2° | 179.9° |
N9 | C4 | N3 | C2 | 179.0° | 179.9° |
C8 | N7 | C5 | C6 | 179.6° | 179.5° |
C8 | N7 | C5 | C4 | 0.2° | 0.5° |
H8 | C8 | N7 | C5 | 179.6° | 179.7° |
N7 | C5 | C6 | C4 | 179.4° | 178.9° |
N7 | C5 | C6 | N6 | 1.3° | 0.8° |
N7 | C5 | C6 | N1 | 179.0° | 179.5° |
N7 | C5 | C4 | N3 | 179.4° | 179.7° |
C5 | C6 | N6 | N1 | 179.7° | 179.8° |
C5 | C6 | N6 | HN61 | 0.5° | 179.7° |
C5 | C6 | N6 | HN62 | 179.3° | 0.6° |
C5 | C6 | N1 | C2 | 0.4° | 0.3° |
C6 | C5 | C4 | N3 | 0.1° | 0.5° |
C4 | C5 | C6 | N6 | 179.3° | 179.7° |
C4 | C5 | C6 | N1 | 0.4° | 0.5° |
C5 | C4 | N3 | C2 | 0.1° | 0.3° |
C6 | N6 | HN61 | HN62 | 178.8° | 179.7° |
N6 | C6 | N1 | C2 | 179.3° | 180.0° |
N1 | C6 | N6 | HN61 | 179.8° | 0.0° |
N1 | C6 | N6 | HN62 | 1.1° | 179.7° |
C6 | N1 | C2 | N3 | 0.2° | 0.0° |
C6 | N1 | C2 | H2 | 179.8° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.0° |
H2 | C2 | N3 | C4 | 179.9° | 180.0° |
O | C | CA | N | 11.0° | 20.0° |
O | C | CA | CB | 110.3° | 100.0° |
O | C | CA | HA | 131.4° | 140.0° |
C | CA | N | CB | 124.7° | 120.0° |
C | CA | N | HA | 116.6° | 120.0° |
C | CA | CB | HA | 116.5° | 120.0° |
C | CA | N | HN1 | 17.4° | 179.9° |
C | CA | N | HN2 | 101.2° | 59.9° |
C | CA | N | HN3 | 136.4° | 60.0° |
C | CA | CB | CG | 171.4° | 175.0° |
C | CA | CB | HB1 | 46.2° | 65.0° |
C | CA | CB | HB2 | 63.3° | 55.0° |
N | CA | CB | HA | 120.6° | 120.0° |
CA | N | HN1 | HN2 | 118.2° | 120.1° |
CA | N | HN1 | HN3 | 118.7° | 120.0° |
CA | N | HN2 | HN3 | 121.0° | 119.9° |
N | CA | CB | CG | 48.6° | 64.9° |
N | CA | CB | HB1 | 76.7° | 55.0° |
N | CA | CB | HB2 | 173.8° | 175.1° |
CB | CA | N | HN1 | 107.3° | 59.9° |
CB | CA | N | HN2 | 134.0° | 179.9° |
CB | CA | N | HN3 | 11.7° | 60.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 116.2° | 120.0° |
CA | CB | CG | CD2 | 73.7° | 125.0° |
CA | CB | CG | ND1 | 113.4° | 55.3° |
HA | CA | N | HN1 | 134.0° | 60.0° |
HA | CA | N | HN2 | 15.4° | 60.1° |
HA | CA | N | HN3 | 107.0° | 180.0° |
HA | CA | CB | CG | 72.0° | 55.0° |
HA | CA | CB | HB1 | 162.7° | 175.0° |
HA | CA | CB | HB2 | 53.2° | 65.0° |
HN1 | N | HN2 | HN3 | 122.0° | 120.0° |
CG | CB | HB1 | HB2 | 116.3° | 120.0° |
CB | CG | CD2 | ND1 | 173.6° | 179.7° |
CB | CG | CD2 | NE2 | 173.3° | 179.9° |
CB | CG | CD2 | HD2 | 6.8° | 0.1° |
CB | CG | ND1 | CE1 | 174.0° | 179.9° |
HB1 | CB | CG | CD2 | 51.5° | 5.0° |
HB1 | CB | CG | ND1 | 121.4° | 175.3° |
HB2 | CB | CG | CD2 | 161.1° | 115.0° |
HB2 | CB | CG | ND1 | 11.9° | 64.7° |
CG | CD2 | NE2 | HD2 | 179.9° | 180.0° |
CD2 | CG | ND1 | CE1 | 0.2° | 0.4° |
CG | CD2 | NE2 | CE1 | 0.4° | 0.0° |
CG | CD2 | NE2 | HE2 | 179.7° | 180.0° |
ND1 | CG | CD2 | NE2 | 0.4° | 0.2° |
ND1 | CG | CD2 | HD2 | 179.6° | 179.8° |
CG | ND1 | CE1 | NE2 | 0.1° | 0.4° |
CG | ND1 | CE1 | HE1 | 179.9° | 179.9° |
CD2 | NE2 | CE1 | ND1 | 0.3° | 0.2° |
CD2 | NE2 | CE1 | HE2 | 179.9° | 180.0° |
CD2 | NE2 | CE1 | HE1 | 179.7° | 180.0° |
HD2 | CD2 | NE2 | CE1 | 179.5° | 180.0° |
HD2 | CD2 | NE2 | HE2 | 0.4° | 0.0° |
ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
ND1 | CE1 | NE2 | HE2 | 179.8° | 179.8° |
HE1 | CE1 | NE2 | HE2 | 0.3° | 0.0° |