3YP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAF | CAC | sing | 1.54Å | 1.53Å | |
CAF | CAK | sing | 1.54Å | 1.55Å | |
CAF | HAF1 | sing | 1.09Å | 1.11Å | |
CAF | HAF2 | sing | 1.09Å | 1.12Å | |
CAC | CAD | sing | 1.55Å | 1.53Å | |
CAC | HAC1 | sing | 1.09Å | 1.12Å | |
CAC | HAC2 | sing | 1.09Å | 1.12Å | |
CAD | CAG | sing | 1.55Å | 1.54Å | |
CAD | HAD1 | sing | 1.09Å | 1.11Å | |
CAD | HAD2 | sing | 1.09Å | 1.12Å | |
CAG | CAK | sing | 1.54Å | 1.54Å | |
CAG | HAG1 | sing | 1.09Å | 1.12Å | |
CAG | HAG2 | sing | 1.09Å | 1.11Å | |
CAK | CAH | sing | 1.53Å | 1.54Å | |
CAK | HAK | sing | 1.09Å | 1.12Å | |
CAH | CAE | sing | 1.53Å | 1.52Å | |
CAH | HAH1 | sing | 1.09Å | 1.12Å | |
CAH | HAH2 | sing | 1.09Å | 1.12Å | |
CAE | CAJ | sing | 1.51Å | 1.49Å | |
CAE | HAE1 | sing | 1.09Å | 1.11Å | |
CAE | HAE2 | sing | 1.09Å | 1.12Å | |
CAJ | OAA | doub | 1.21Å | 1.22Å | |
CAJ | NAI | sing | 1.35Å | 1.14Å | |
NAI | OAB | sing | 1.42Å | 1.32Å | |
NAI | HAI | sing | 0.97Å | 1.02Å | |
OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAF | CAK | 103.7° | 106.6° |
CAC | CAF | HAF1 | 114.4° | 110.0° |
CAC | CAF | HAF2 | 114.4° | 110.0° |
CAF | CAC | CAD | 99.9° | 104.2° |
CAF | CAC | HAC1 | 115.9° | 110.5° |
CAF | CAC | HAC2 | 115.9° | 110.5° |
CAK | CAF | HAF1 | 114.4° | 110.1° |
CAK | CAF | HAF2 | 114.4° | 110.0° |
CAF | CAK | CAG | 104.8° | 106.6° |
CAF | CAK | CAH | 113.4° | 110.1° |
CAF | CAK | HAK | 109.4° | 110.0° |
HAF1 | CAF | HAF2 | 96.1° | 110.1° |
CAD | CAC | HAC1 | 115.9° | 110.5° |
CAD | CAC | HAC2 | 115.8° | 110.5° |
CAC | CAD | CAG | 102.5° | 102.7° |
CAC | CAD | HAD1 | 114.8° | 110.8° |
CAC | CAD | HAD2 | 114.9° | 110.7° |
HAC1 | CAC | HAC2 | 94.6° | 110.5° |
CAG | CAD | HAD1 | 114.8° | 110.8° |
CAG | CAD | HAD2 | 114.9° | 110.7° |
CAD | CAG | CAK | 105.2° | 104.2° |
CAD | CAG | HAG1 | 113.8° | 110.5° |
CAD | CAG | HAG2 | 113.8° | 110.5° |
HAD1 | CAD | HAD2 | 95.6° | 110.8° |
CAK | CAG | HAG1 | 113.9° | 110.5° |
CAK | CAG | HAG2 | 113.8° | 110.5° |
CAG | CAK | CAH | 107.3° | 110.0° |
CAG | CAK | HAK | 115.2° | 110.0° |
HAG1 | CAG | HAG2 | 96.6° | 110.5° |
CAH | CAK | HAK | 106.9° | 110.0° |
CAK | CAH | CAE | 118.1° | 109.5° |
CAK | CAH | HAH1 | 109.1° | 109.5° |
CAK | CAH | HAH2 | 109.1° | 109.4° |
CAE | CAH | HAH1 | 109.1° | 109.5° |
CAE | CAH | HAH2 | 109.1° | 109.5° |
CAH | CAE | CAJ | 105.6° | 109.4° |
CAH | CAE | HAE1 | 113.7° | 109.5° |
CAH | CAE | HAE2 | 113.6° | 109.5° |
HAH1 | CAH | HAH2 | 101.0° | 109.4° |
CAJ | CAE | HAE1 | 113.7° | 109.5° |
CAJ | CAE | HAE2 | 113.6° | 109.4° |
CAE | CAJ | OAA | 124.6° | 120.0° |
CAE | CAJ | NAI | 113.7° | 120.0° |
HAE1 | CAE | HAE2 | 96.8° | 109.5° |
OAA | CAJ | NAI | 119.7° | 120.0° |
CAJ | NAI | OAB | 123.0° | 120.0° |
CAJ | NAI | HAI | 110.8° | 120.0° |
OAB | NAI | HAI | 126.2° | 120.0° |
NAI | OAB | HAB | 123.0° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAF | CAK | HAF1 | 125.2° | 119.3° |
CAC | CAF | CAK | HAF2 | 125.3° | 119.2° |
CAC | CAF | HAF1 | HAF2 | 120.3° | 121.4° |
CAF | CAC | CAD | HAC1 | 125.3° | 118.7° |
CAF | CAC | CAD | HAC2 | 125.3° | 118.7° |
CAF | CAC | HAC1 | HAC2 | 121.7° | 122.6° |
CAF | CAC | CAD | CAG | 47.6° | 38.0° |
CAF | CAC | CAD | HAD1 | 172.9° | 80.4° |
CAF | CAC | CAD | HAD2 | 77.7° | 156.2° |
CAC | CAF | CAK | CAG | 24.9° | 0.0° |
CAC | CAF | CAK | CAH | 141.6° | 119.3° |
CAC | CAF | CAK | HAK | 99.2° | 119.3° |
CAK | CAF | HAF1 | HAF2 | 120.3° | 121.5° |
CAK | CAF | CAC | CAD | 44.7° | 23.7° |
CAK | CAF | CAC | HAC1 | 80.6° | 142.3° |
CAK | CAF | CAC | HAC2 | 169.9° | 95.1° |
CAF | CAK | CAG | CAD | 4.8° | 23.6° |
CAF | CAK | CAG | CAH | 120.8° | 119.3° |
CAF | CAK | CAG | HAK | 120.2° | 119.3° |
CAF | CAK | CAG | HAG1 | 120.5° | 95.1° |
CAF | CAK | CAG | HAG2 | 130.0° | 142.3° |
CAF | CAK | CAH | HAK | 120.6° | 121.4° |
CAF | CAK | CAH | CAE | 61.3° | 175.0° |
CAF | CAK | CAH | HAH1 | 173.4° | 54.9° |
CAF | CAK | CAH | HAH2 | 64.0° | 65.0° |
HAF1 | CAF | CAC | CAD | 80.5° | 95.7° |
HAF1 | CAF | CAC | HAC1 | 154.2° | 23.0° |
HAF1 | CAF | CAC | HAC2 | 44.7° | 145.6° |
HAF1 | CAF | CAK | CAG | 100.3° | 119.2° |
HAF1 | CAF | CAK | CAH | 16.3° | 121.5° |
HAF1 | CAF | CAK | HAK | 135.6° | 0.1° |
HAF2 | CAF | CAC | CAD | 170.0° | 142.9° |
HAF2 | CAF | CAC | HAC1 | 44.7° | 98.4° |
HAF2 | CAF | CAC | HAC2 | 64.8° | 24.2° |
HAF2 | CAF | CAK | CAG | 150.2° | 119.3° |
HAF2 | CAF | CAK | CAH | 93.2° | 0.1° |
HAF2 | CAF | CAK | HAK | 26.1° | 121.4° |
CAD | CAC | HAC1 | HAC2 | 121.7° | 122.6° |
CAC | CAD | CAG | HAD1 | 125.3° | 118.3° |
CAC | CAD | CAG | HAD2 | 125.3° | 118.3° |
CAC | CAD | HAD1 | HAD2 | 120.7° | 123.3° |
CAC | CAD | CAG | CAK | 32.6° | 38.0° |
CAC | CAD | CAG | HAG1 | 92.7° | 80.7° |
CAC | CAD | CAG | HAG2 | 157.8° | 156.6° |
HAC1 | CAC | CAD | CAG | 77.6° | 156.7° |
HAC1 | CAC | CAD | HAD1 | 47.6° | 38.3° |
HAC1 | CAC | CAD | HAD2 | 157.1° | 85.1° |
HAC2 | CAC | CAD | CAG | 172.9° | 80.7° |
HAC2 | CAC | CAD | HAD1 | 61.8° | 160.9° |
HAC2 | CAC | CAD | HAD2 | 47.6° | 37.5° |
CAG | CAD | HAD1 | HAD2 | 120.7° | 123.4° |
CAD | CAG | CAK | HAG1 | 125.3° | 118.7° |
CAD | CAG | CAK | HAG2 | 125.3° | 118.7° |
CAD | CAG | HAG1 | HAG2 | 119.7° | 122.6° |
CAD | CAG | CAK | CAH | 116.1° | 142.9° |
CAD | CAG | CAK | HAK | 125.0° | 95.7° |
HAD1 | CAD | CAG | CAK | 157.8° | 80.4° |
HAD1 | CAD | CAG | HAG1 | 32.5° | 161.0° |
HAD1 | CAD | CAG | HAG2 | 76.9° | 38.3° |
HAD2 | CAD | CAG | CAK | 92.7° | 156.2° |
HAD2 | CAD | CAG | HAG1 | 142.0° | 37.5° |
HAD2 | CAD | CAG | HAG2 | 32.6° | 85.1° |
CAK | CAG | HAG1 | HAG2 | 119.8° | 122.6° |
CAG | CAK | CAH | HAK | 124.2° | 121.4° |
CAG | CAK | CAH | CAE | 176.5° | 67.8° |
CAG | CAK | CAH | HAH1 | 58.2° | 172.2° |
CAG | CAK | CAH | HAH2 | 51.2° | 52.2° |
HAG1 | CAG | CAK | CAH | 118.7° | 24.3° |
HAG1 | CAG | CAK | HAK | 0.3° | 145.6° |
HAG2 | CAG | CAK | CAH | 9.2° | 98.4° |
HAG2 | CAG | CAK | HAK | 109.7° | 23.0° |
CAK | CAH | CAE | HAH1 | 125.3° | 120.0° |
CAK | CAH | CAE | HAH2 | 125.3° | 120.0° |
CAK | CAH | HAH1 | HAH2 | 114.8° | 119.9° |
CAK | CAH | CAE | CAJ | 133.6° | 180.0° |
CAK | CAH | CAE | HAE1 | 101.1° | 60.0° |
CAK | CAH | CAE | HAE2 | 8.4° | 60.0° |
HAK | CAK | CAH | CAE | 59.3° | 53.6° |
HAK | CAK | CAH | HAH1 | 65.9° | 66.4° |
HAK | CAK | CAH | HAH2 | 175.4° | 173.6° |
CAE | CAH | HAH1 | HAH2 | 114.8° | 120.1° |
CAH | CAE | CAJ | HAE1 | 125.3° | 120.0° |
CAH | CAE | CAJ | HAE2 | 125.2° | 120.0° |
CAH | CAE | HAE1 | HAE2 | 119.6° | 120.1° |
CAH | CAE | CAJ | OAA | 66.5° | 0.0° |
CAH | CAE | CAJ | NAI | 97.0° | 180.0° |
HAH1 | CAH | CAE | CAJ | 8.3° | 60.0° |
HAH1 | CAH | CAE | HAE1 | 133.6° | NaN° |
HAH1 | CAH | CAE | HAE2 | 116.9° | 60.0° |
HAH2 | CAH | CAE | CAJ | 101.1° | 60.0° |
HAH2 | CAH | CAE | HAE1 | 24.1° | 60.0° |
HAH2 | CAH | CAE | HAE2 | 133.6° | 180.0° |
CAJ | CAE | HAE1 | HAE2 | 119.6° | 120.0° |
CAE | CAJ | OAA | NAI | 162.6° | 179.9° |
CAE | CAJ | NAI | OAB | 175.7° | 180.0° |
CAE | CAJ | NAI | HAI | 4.3° | 0.0° |
HAE1 | CAE | CAJ | OAA | 58.8° | 120.0° |
HAE1 | CAE | CAJ | NAI | 137.7° | 59.9° |
HAE2 | CAE | CAJ | OAA | 168.3° | 120.0° |
HAE2 | CAE | CAJ | NAI | 28.3° | 60.0° |
OAA | CAJ | NAI | OAB | 11.3° | 0.1° |
OAA | CAJ | NAI | HAI | 168.7° | 180.0° |
CAJ | NAI | OAB | HAI | 180.0° | 180.0° |
CAJ | NAI | OAB | HAB | 180.0° | 180.0° |
HAI | NAI | OAB | HAB | 0.0° | 0.1° |