CDX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAO | CAP | doub | 1.21Å | 1.21Å | |
CAP | NAI | sing | 1.35Å | 1.35Å | |
CAP | CAQ | sing | 1.51Å | 1.50Å | |
NAI | CAC | sing | 1.35Å | 1.34Å | |
NAI | HAI | sing | 0.97Å | 1.02Å | |
CAC | OAB | doub | 1.21Å | 1.21Å | |
CAC | CAD | sing | 1.51Å | 1.52Å | |
CAD | NAJ | sing | 1.47Å | 1.46Å | |
CAD | HAD1 | sing | 1.09Å | 1.12Å | |
CAD | HAD2 | sing | 1.09Å | 1.12Å | |
CAQ | NAJ | sing | 1.47Å | 1.46Å | |
CAQ | HAQ1 | sing | 1.09Å | 1.11Å | |
CAQ | HAQ2 | sing | 1.09Å | 1.12Å | |
NAJ | CAK | sing | 1.47Å | 1.45Å | |
CAK | CAL | sing | 1.53Å | 1.53Å | |
CAK | HAK1 | sing | 1.09Å | 1.12Å | |
CAK | HAK2 | sing | 1.09Å | 1.12Å | |
CAL | CAE | sing | 1.53Å | 1.53Å | |
CAL | NAM | sing | 1.47Å | 1.47Å | |
CAL | HAL | sing | 1.09Å | 1.11Å | |
CAE | HAE1 | sing | 1.09Å | 1.11Å | |
CAE | HAE2 | sing | 1.09Å | 1.11Å | |
CAE | HAE3 | sing | 1.09Å | 1.12Å | |
NAM | CAR | sing | 1.47Å | 1.47Å | |
NAM | CAF | sing | 1.47Å | 1.46Å | |
CAR | CAS | sing | 1.51Å | 1.52Å | |
CAR | HAR1 | sing | 1.09Å | 1.11Å | |
CAR | HAR2 | sing | 1.09Å | 1.12Å | |
CAS | OAT | doub | 1.21Å | 1.22Å | |
CAS | NAN | sing | 1.35Å | 1.35Å | |
NAN | CAG | sing | 1.35Å | 1.35Å | |
NAN | HAN | sing | 0.97Å | 1.02Å | |
CAG | CAF | sing | 1.51Å | 1.50Å | |
CAG | OAH | doub | 1.21Å | 1.22Å | |
CAF | HAF1 | sing | 1.09Å | 1.12Å | |
CAF | HAF2 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAO | CAP | NAI | 124.2° | 119.9° |
OAO | CAP | CAQ | 118.5° | 119.9° |
NAI | CAP | CAQ | 117.3° | 120.2° |
CAP | NAI | CAC | 123.8° | 120.3° |
CAP | NAI | HAI | 118.2° | 119.8° |
CAP | CAQ | NAJ | 105.6° | 109.6° |
CAP | CAQ | HAQ1 | 113.7° | 109.4° |
CAP | CAQ | HAQ2 | 113.7° | 109.5° |
CAC | NAI | HAI | 117.9° | 119.8° |
NAI | CAC | OAB | 122.1° | 119.9° |
NAI | CAC | CAD | 118.0° | 120.3° |
OAB | CAC | CAD | 119.9° | 119.8° |
CAC | CAD | NAJ | 104.7° | 109.6° |
CAC | CAD | HAD1 | 114.0° | 109.5° |
CAC | CAD | HAD2 | 114.1° | 109.4° |
NAJ | CAD | HAD1 | 114.0° | 109.4° |
NAJ | CAD | HAD2 | 114.0° | 109.5° |
CAD | NAJ | CAQ | 107.1° | 106.7° |
CAD | NAJ | CAK | 114.9° | 106.7° |
HAD1 | CAD | HAD2 | 96.4° | 109.5° |
NAJ | CAQ | HAQ1 | 113.6° | 109.5° |
NAJ | CAQ | HAQ2 | 113.6° | 109.4° |
CAQ | NAJ | CAK | 108.9° | 106.7° |
HAQ1 | CAQ | HAQ2 | 96.8° | 109.4° |
NAJ | CAK | CAL | 106.9° | 109.4° |
NAJ | CAK | HAK1 | 113.2° | 109.4° |
NAJ | CAK | HAK2 | 113.2° | 109.5° |
CAL | CAK | HAK1 | 113.2° | 109.5° |
CAL | CAK | HAK2 | 113.2° | 109.5° |
CAK | CAL | CAE | 113.8° | 109.5° |
CAK | CAL | NAM | 111.0° | 109.5° |
CAK | CAL | HAL | 105.5° | 109.4° |
HAK1 | CAK | HAK2 | 97.2° | 109.5° |
CAE | CAL | NAM | 110.1° | 109.5° |
CAE | CAL | HAL | 106.7° | 109.4° |
CAL | CAE | HAE1 | 113.7° | 109.4° |
CAL | CAE | HAE2 | 110.6° | 109.5° |
CAL | CAE | HAE3 | 110.6° | 109.5° |
NAM | CAL | HAL | 109.6° | 109.5° |
CAL | NAM | CAR | 117.2° | 106.7° |
CAL | NAM | CAF | 113.6° | 106.7° |
HAE1 | CAE | HAE2 | 110.7° | 109.4° |
HAE1 | CAE | HAE3 | 110.6° | 109.5° |
HAE2 | CAE | HAE3 | 99.7° | 109.5° |
CAR | NAM | CAF | 106.5° | 106.7° |
NAM | CAR | CAS | 102.0° | 109.6° |
NAM | CAR | HAR1 | 115.1° | 109.5° |
NAM | CAR | HAR2 | 115.1° | 109.4° |
NAM | CAF | CAG | 102.7° | 109.6° |
NAM | CAF | HAF1 | 114.8° | 109.5° |
NAM | CAF | HAF2 | 114.8° | 109.5° |
CAS | CAR | HAR1 | 115.1° | 109.5° |
CAS | CAR | HAR2 | 115.0° | 109.4° |
CAR | CAS | OAT | 119.9° | 119.9° |
CAR | CAS | NAN | 117.1° | 120.2° |
HAR1 | CAR | HAR2 | 95.4° | 109.4° |
OAT | CAS | NAN | 122.9° | 119.9° |
CAS | NAN | CAG | 124.2° | 120.4° |
CAS | NAN | HAN | 118.1° | 119.8° |
CAG | NAN | HAN | 117.7° | 119.8° |
NAN | CAG | CAF | 116.8° | 120.2° |
NAN | CAG | OAH | 124.0° | 119.9° |
CAF | CAG | OAH | 119.1° | 119.9° |
CAG | CAF | HAF1 | 114.8° | 109.5° |
CAG | CAF | HAF2 | 114.7° | 109.4° |
HAF1 | CAF | HAF2 | 95.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAO | CAP | NAI | CAQ | 179.0° | 180.0° |
OAO | CAP | NAI | CAC | 179.8° | 179.7° |
OAO | CAP | NAI | HAI | 0.2° | 0.3° |
OAO | CAP | CAQ | NAJ | 144.8° | 148.8° |
OAO | CAP | CAQ | HAQ1 | 19.6° | 91.1° |
OAO | CAP | CAQ | HAQ2 | 89.9° | 28.8° |
CAP | NAI | CAC | HAI | 180.0° | 180.0° |
CAP | NAI | CAC | OAB | 179.8° | 179.7° |
CAP | NAI | CAC | CAD | 1.7° | 0.3° |
NAI | CAP | CAQ | NAJ | 34.2° | 31.2° |
NAI | CAP | CAQ | HAQ1 | 159.5° | 88.9° |
NAI | CAP | CAQ | HAQ2 | 91.0° | 151.1° |
CAQ | CAP | NAI | CAC | 0.8° | 0.3° |
CAQ | CAP | NAI | HAI | 179.2° | 179.7° |
CAP | CAQ | NAJ | CAD | 70.2° | 60.6° |
CAP | CAQ | NAJ | HAQ1 | 125.3° | 120.0° |
CAP | CAQ | NAJ | HAQ2 | 125.3° | 120.0° |
CAP | CAQ | HAQ1 | HAQ2 | 119.7° | 120.0° |
CAP | CAQ | NAJ | CAK | 165.0° | 174.4° |
NAI | CAC | OAB | CAD | 178.6° | 180.0° |
NAI | CAC | CAD | NAJ | 32.2° | 31.2° |
NAI | CAC | CAD | HAD1 | 93.1° | 151.2° |
NAI | CAC | CAD | HAD2 | 157.5° | 88.9° |
HAI | NAI | CAC | OAB | 0.2° | 0.3° |
HAI | NAI | CAC | CAD | 178.3° | 179.7° |
OAB | CAC | CAD | NAJ | 146.4° | 148.8° |
OAB | CAC | CAD | HAD1 | 88.3° | 28.9° |
OAB | CAC | CAD | HAD2 | 21.1° | 91.1° |
CAC | CAD | NAJ | HAD1 | 125.3° | 120.0° |
CAC | CAD | NAJ | HAD2 | 125.3° | 120.0° |
CAC | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
CAC | CAD | NAJ | CAQ | 68.6° | 60.6° |
CAC | CAD | NAJ | CAK | 170.3° | 174.4° |
NAJ | CAD | HAD1 | HAD2 | 119.9° | 120.0° |
CAD | NAJ | CAQ | CAK | 124.8° | 113.8° |
CAD | NAJ | CAQ | HAQ1 | 164.5° | 59.4° |
CAD | NAJ | CAQ | HAQ2 | 55.1° | 179.4° |
CAD | NAJ | CAK | CAL | 150.4° | 180.0° |
CAD | NAJ | CAK | HAK1 | 84.3° | 60.0° |
CAD | NAJ | CAK | HAK2 | 25.2° | 60.0° |
HAD1 | CAD | NAJ | CAQ | 56.7° | 179.4° |
HAD1 | CAD | NAJ | CAK | 64.4° | 65.6° |
HAD2 | CAD | NAJ | CAQ | 166.1° | 59.4° |
HAD2 | CAD | NAJ | CAK | 45.0° | 54.4° |
NAJ | CAQ | HAQ1 | HAQ2 | 119.5° | 119.9° |
CAQ | NAJ | CAK | CAL | 89.5° | 66.2° |
CAQ | NAJ | CAK | HAK1 | 35.8° | 173.9° |
CAQ | NAJ | CAK | HAK2 | 145.3° | 53.8° |
HAQ1 | CAQ | NAJ | CAK | 39.7° | 54.3° |
HAQ2 | CAQ | NAJ | CAK | 69.7° | 65.6° |
NAJ | CAK | CAL | HAK1 | 125.3° | 119.9° |
NAJ | CAK | CAL | HAK2 | 125.3° | 120.0° |
NAJ | CAK | HAK1 | HAK2 | 119.1° | 120.0° |
NAJ | CAK | CAL | CAE | 58.9° | 180.0° |
NAJ | CAK | CAL | NAM | 176.3° | 60.0° |
NAJ | CAK | CAL | HAL | 57.7° | 60.1° |
CAL | CAK | HAK1 | HAK2 | 119.1° | 120.1° |
CAK | CAL | CAE | NAM | 125.3° | 120.1° |
CAK | CAL | CAE | HAL | 115.9° | 119.9° |
CAK | CAL | NAM | HAL | 116.2° | 120.0° |
CAK | CAL | CAE | HAE1 | 180.0° | 52.5° |
CAK | CAL | CAE | HAE2 | 54.7° | 172.4° |
CAK | CAL | CAE | HAE3 | 54.7° | 67.5° |
CAK | CAL | NAM | CAR | 103.5° | 75.2° |
CAK | CAL | NAM | CAF | 21.4° | 171.0° |
HAK1 | CAK | CAL | CAE | 66.4° | 60.1° |
HAK1 | CAK | CAL | NAM | 58.4° | 60.0° |
HAK1 | CAK | CAL | HAL | 177.0° | 180.0° |
HAK2 | CAK | CAL | CAE | 175.8° | 60.0° |
HAK2 | CAK | CAL | NAM | 51.0° | 180.0° |
HAK2 | CAK | CAL | HAL | 67.6° | 59.9° |
CAE | CAL | NAM | HAL | 117.0° | 120.0° |
CAL | CAE | HAE1 | HAE2 | 125.2° | 120.0° |
CAL | CAE | HAE1 | HAE3 | 125.2° | 120.0° |
CAL | CAE | HAE2 | HAE3 | 116.5° | 120.1° |
CAE | CAL | NAM | CAR | 23.4° | 44.8° |
CAE | CAL | NAM | CAF | 148.2° | 69.0° |
NAM | CAL | CAE | HAE1 | 54.7° | 67.6° |
NAM | CAL | CAE | HAE2 | 180.0° | 52.4° |
NAM | CAL | CAE | HAE3 | 70.6° | 172.4° |
CAL | NAM | CAR | CAF | 128.3° | 113.8° |
CAL | NAM | CAR | CAS | 157.6° | 174.4° |
CAL | NAM | CAR | HAR1 | 32.3° | 54.3° |
CAL | NAM | CAR | HAR2 | 77.2° | 65.6° |
CAL | NAM | CAF | CAG | 154.7° | 174.3° |
CAL | NAM | CAF | HAF1 | 80.0° | 65.5° |
CAL | NAM | CAF | HAF2 | 29.4° | 54.4° |
HAL | CAL | CAE | HAE1 | 64.1° | 172.4° |
HAL | CAL | CAE | HAE2 | 61.2° | 67.6° |
HAL | CAL | CAE | HAE3 | 170.7° | 52.4° |
HAL | CAL | NAM | CAR | 140.4° | 164.8° |
HAL | CAL | NAM | CAF | 94.8° | 51.0° |
HAE1 | CAE | HAE2 | HAE3 | 116.5° | 120.0° |
NAM | CAR | CAS | HAR1 | 125.3° | 120.2° |
NAM | CAR | CAS | HAR2 | 125.2° | 120.0° |
NAM | CAR | HAR1 | HAR2 | 120.9° | 119.8° |
NAM | CAR | CAS | OAT | 144.2° | 148.8° |
NAM | CAR | CAS | NAN | 34.1° | 31.2° |
CAR | NAM | CAF | CAG | 74.9° | 60.5° |
CAR | NAM | CAF | HAF1 | 50.3° | 179.4° |
CAR | NAM | CAF | HAF2 | 159.8° | 59.4° |
CAF | NAM | CAR | CAS | 74.1° | 60.6° |
CAF | NAM | CAR | HAR1 | 160.6° | 59.5° |
CAF | NAM | CAR | HAR2 | 51.1° | 179.4° |
NAM | CAF | CAG | NAN | 34.9° | 31.1° |
NAM | CAF | CAG | HAF1 | 125.3° | 120.1° |
NAM | CAF | CAG | HAF2 | 125.3° | 120.0° |
NAM | CAF | CAG | OAH | 144.0° | 148.8° |
NAM | CAF | HAF1 | HAF2 | 120.7° | 120.0° |
CAS | CAR | HAR1 | HAR2 | 120.9° | 119.9° |
CAR | CAS | OAT | NAN | 178.2° | 180.0° |
CAR | CAS | NAN | CAG | 1.7° | 0.3° |
CAR | CAS | NAN | HAN | 178.3° | 179.8° |
HAR1 | CAR | CAS | OAT | 18.9° | 91.0° |
HAR1 | CAR | CAS | NAN | 159.4° | 89.0° |
HAR2 | CAR | CAS | OAT | 90.6° | 28.9° |
HAR2 | CAR | CAS | NAN | 91.1° | 151.2° |
OAT | CAS | NAN | CAG | 179.9° | 179.7° |
OAT | CAS | NAN | HAN | 0.1° | 0.3° |
CAS | NAN | CAG | HAN | 180.0° | 180.0° |
CAS | NAN | CAG | CAF | 1.5° | 0.3° |
CAS | NAN | CAG | OAH | 179.7° | 179.7° |
NAN | CAG | CAF | OAH | 178.8° | 179.9° |
NAN | CAG | CAF | HAF1 | 90.4° | 151.2° |
NAN | CAG | CAF | HAF2 | 160.2° | 88.9° |
HAN | NAN | CAG | CAF | 178.5° | 179.7° |
HAN | NAN | CAG | OAH | 0.2° | 0.2° |
CAG | CAF | HAF1 | HAF2 | 120.6° | 119.9° |
OAH | CAG | CAF | HAF1 | 90.7° | 28.7° |
OAH | CAG | CAF | HAF2 | 18.7° | 91.2° |