T55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.36Å | |
| CAL | C | sing | 1.51Å | 1.58Å | |
| CAL | CAK | sing | 1.53Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CAK | CAJ | sing | 1.53Å | 1.52Å | |
| CAJ | CAI | sing | 1.53Å | 1.56Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAG | sing | 1.53Å | 1.58Å | |
| CAG | CAE | sing | 1.53Å | 1.56Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CAL | 115.8° | 120.0° |
| OXT | C | O | 124.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CAL | CAK | 119.7° | 109.5° |
| CAL | C | O | 120.0° | 120.0° |
| C | CAL | HAL1 | 106.2° | 109.5° |
| C | CAL | HAL2 | 103.8° | 109.5° |
| CAL | CAK | CAJ | 110.5° | 109.5° |
| CAK | CAL | HAL1 | 106.2° | 109.5° |
| CAK | CAL | HAL2 | 103.8° | 109.5° |
| CAL | CAK | HAK1 | 109.1° | 109.5° |
| CAL | CAK | HAK2 | 108.9° | 109.5° |
| CAK | CAJ | CAI | 114.1° | 109.5° |
| CAJ | CAK | HAK1 | 109.1° | 109.5° |
| CAJ | CAK | HAK2 | 108.8° | 109.5° |
| CAK | CAJ | HAJ1 | 108.0° | 109.5° |
| CAK | CAJ | HAJ2 | 106.9° | 109.5° |
| CAJ | CAI | CAH | 107.6° | 109.5° |
| CAI | CAJ | HAJ1 | 107.9° | 109.5° |
| CAI | CAJ | HAJ2 | 106.9° | 109.5° |
| CAJ | CAI | HAI1 | 110.1° | 109.5° |
| CAJ | CAI | HAI2 | 110.5° | 109.4° |
| CAI | CAH | CAG | 115.0° | 109.5° |
| CAH | CAI | HAI1 | 110.1° | 109.5° |
| CAH | CAI | HAI2 | 110.5° | 109.5° |
| CAI | CAH | HAH1 | 107.7° | 109.5° |
| CAI | CAH | HAH2 | 106.4° | 109.4° |
| CAH | CAG | CAE | 113.7° | 109.5° |
| CAG | CAH | HAH1 | 107.6° | 109.5° |
| CAG | CAH | HAH2 | 106.5° | 109.5° |
| CAH | CAG | HAG1 | 108.1° | 109.5° |
| CAH | CAG | HAG2 | 107.1° | 109.5° |
| CAG | CAE | CAD | 114.2° | 109.4° |
| CAG | CAE | CAF | 113.7° | 109.4° |
| CAE | CAG | HAG1 | 108.1° | 109.5° |
| CAE | CAG | HAG2 | 107.1° | 109.4° |
| CAG | CAE | HAE | 103.8° | 109.5° |
| CAD | CAE | CAF | 112.1° | 109.5° |
| CAD | CAE | HAE | 105.8° | 109.5° |
| CAE | CAD | HAD1 | 109.5° | 109.4° |
| CAE | CAD | HAD2 | 109.5° | 109.5° |
| CAE | CAD | HAD3 | 109.5° | 109.5° |
| CAF | CAE | HAE | 106.3° | 109.5° |
| CAE | CAF | HAF1 | 109.5° | 109.4° |
| CAE | CAF | HAF2 | 109.5° | 109.5° |
| CAE | CAF | HAF3 | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 117.9° | 109.4° |
| HAK1 | CAK | HAK2 | 110.3° | 109.4° |
| HAJ1 | CAJ | HAJ2 | 113.2° | 109.4° |
| HAI1 | CAI | HAI2 | 108.0° | 109.4° |
| HAH1 | CAH | HAH2 | 113.8° | 109.4° |
| HAG1 | CAG | HAG2 | 112.8° | 109.5° |
| HAD1 | CAD | HAD2 | 109.5° | 109.5° |
| HAD1 | CAD | HAD3 | 109.5° | 109.5° |
| HAD2 | CAD | HAD3 | 109.5° | 109.5° |
| HAF1 | CAF | HAF2 | 109.4° | 109.5° |
| HAF1 | CAF | HAF3 | 109.5° | 109.4° |
| HAF2 | CAF | HAF3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CAL | O | 177.7° | 180.0° |
| OXT | C | CAL | CAK | 80.4° | 180.0° |
| OXT | C | CAL | HAL1 | 39.6° | 60.0° |
| OXT | C | CAL | HAL2 | 164.5° | 60.0° |
| C | CAL | CAK | HAL1 | 120.0° | 120.0° |
| C | CAL | CAK | HAL2 | 115.1° | 120.1° |
| C | CAL | CAK | CAJ | 8.8° | 180.0° |
| CAL | C | OXT | HXT | 177.6° | 180.0° |
| C | CAL | HAL1 | HAL2 | 115.8° | 120.0° |
| C | CAL | CAK | HAK1 | 111.3° | 60.0° |
| C | CAL | CAK | HAK2 | 128.3° | 59.9° |
| CAK | CAL | C | O | 101.8° | 0.0° |
| CAL | CAK | CAJ | HAK1 | 120.0° | 120.0° |
| CAL | CAK | CAJ | HAK2 | 119.6° | 120.0° |
| CAL | CAK | CAJ | CAI | 147.5° | 180.0° |
| CAK | CAL | HAL1 | HAL2 | 115.8° | 119.9° |
| CAL | CAK | HAK1 | HAK2 | 119.6° | 119.9° |
| CAL | CAK | CAJ | HAJ1 | 92.5° | 60.0° |
| CAL | CAK | CAJ | HAJ2 | 29.6° | 59.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CAL | HAL1 | 138.1° | 120.0° |
| O | C | CAL | HAL2 | 13.2° | 120.0° |
| CAK | CAJ | CAI | HAJ1 | 120.0° | 120.0° |
| CAK | CAJ | CAI | HAJ2 | 117.9° | 120.0° |
| CAK | CAJ | CAI | CAH | 161.4° | 180.0° |
| CAJ | CAK | CAL | HAL1 | 128.8° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 106.3° | 59.9° |
| CAJ | CAK | HAK1 | HAK2 | 119.5° | 120.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 118.1° | 119.9° |
| CAK | CAJ | CAI | HAI1 | 41.4° | 60.0° |
| CAK | CAJ | CAI | HAI2 | 77.9° | 60.0° |
| CAJ | CAI | CAH | HAI1 | 120.0° | 120.0° |
| CAJ | CAI | CAH | HAI2 | 120.7° | 120.0° |
| CAJ | CAI | CAH | CAG | 49.2° | 180.0° |
| CAI | CAJ | CAK | HAK1 | 27.5° | 60.0° |
| CAI | CAJ | CAK | HAK2 | 92.9° | 60.0° |
| CAI | CAJ | HAJ1 | HAJ2 | 118.1° | 120.0° |
| CAJ | CAI | HAI1 | HAI2 | 120.8° | 119.9° |
| CAJ | CAI | CAH | HAH1 | 70.8° | 60.0° |
| CAJ | CAI | CAH | HAH2 | 166.8° | 60.0° |
| CAI | CAH | CAG | HAH1 | 120.0° | 120.1° |
| CAI | CAH | CAG | HAH2 | 117.6° | 120.0° |
| CAI | CAH | CAG | CAE | 68.9° | 180.0° |
| CAH | CAI | CAJ | HAJ1 | 78.6° | 59.9° |
| CAH | CAI | CAJ | HAJ2 | 43.5° | 60.0° |
| CAH | CAI | HAI1 | HAI2 | 120.7° | 120.0° |
| CAI | CAH | HAH1 | HAH2 | 117.8° | 119.9° |
| CAI | CAH | CAG | HAG1 | 171.1° | 60.0° |
| CAI | CAH | CAG | HAG2 | 49.3° | 60.1° |
| CAH | CAG | CAE | HAG1 | 120.0° | 120.0° |
| CAH | CAG | CAE | HAG2 | 118.1° | 120.0° |
| CAH | CAG | CAE | CAD | 81.6° | 65.0° |
| CAH | CAG | CAE | CAF | 148.1° | 175.0° |
| CAG | CAH | CAI | HAI1 | 169.2° | 59.9° |
| CAG | CAH | CAI | HAI2 | 71.5° | 60.1° |
| CAG | CAH | HAH1 | HAH2 | 117.7° | 120.0° |
| CAH | CAG | HAG1 | HAG2 | 118.2° | 120.0° |
| CAH | CAG | CAE | HAE | 33.0° | 55.0° |
| CAG | CAE | CAD | CAF | 131.1° | 120.0° |
| CAG | CAE | CAD | HAE | 113.5° | 120.0° |
| CAG | CAE | CAF | HAE | 113.6° | 120.0° |
| CAE | CAG | CAH | HAH1 | 51.1° | 59.9° |
| CAE | CAG | CAH | HAH2 | 173.6° | 60.0° |
| CAE | CAG | HAG1 | HAG2 | 118.2° | 120.0° |
| CAG | CAE | CAD | HAD1 | 139.0° | 180.0° |
| CAG | CAE | CAD | HAD2 | 19.0° | 60.0° |
| CAG | CAE | CAD | HAD3 | 101.0° | 60.0° |
| CAG | CAE | CAF | HAF1 | 13.3° | 180.0° |
| CAG | CAE | CAF | HAF2 | 133.3° | 60.0° |
| CAG | CAE | CAF | HAF3 | 106.7° | 60.0° |
| CAD | CAE | CAF | HAE | 115.1° | 120.1° |
| CAD | CAE | CAG | HAG1 | 38.4° | 55.0° |
| CAD | CAE | CAG | HAG2 | 160.2° | 175.0° |
| CAE | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
| CAE | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| CAE | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CAD | CAE | CAF | HAF1 | 144.6° | 60.0° |
| CAD | CAE | CAF | HAF2 | 95.4° | 180.0° |
| CAD | CAE | CAF | HAF3 | 24.6° | 59.9° |
| CAF | CAE | CAG | HAG1 | 91.9° | 65.0° |
| CAF | CAE | CAG | HAG2 | 30.0° | 55.0° |
| CAF | CAE | CAD | HAD1 | 89.9° | 60.1° |
| CAF | CAE | CAD | HAD2 | 150.1° | 59.9° |
| CAF | CAE | CAD | HAD3 | 30.1° | 180.0° |
| CAE | CAF | HAF1 | HAF2 | 120.0° | 120.0° |
| CAE | CAF | HAF1 | HAF3 | 120.0° | 120.0° |
| CAE | CAF | HAF2 | HAF3 | 120.0° | 120.1° |
| HAL1 | CAL | CAK | HAK1 | 8.7° | 180.0° |
| HAL1 | CAL | CAK | HAK2 | 111.7° | 60.1° |
| HAL2 | CAL | CAK | HAK1 | 133.7° | 60.1° |
| HAL2 | CAL | CAK | HAK2 | 13.2° | 180.0° |
| HAK1 | CAK | CAJ | HAJ1 | 147.5° | 180.0° |
| HAK1 | CAK | CAJ | HAJ2 | 90.4° | 60.1° |
| HAK2 | CAK | CAJ | HAJ1 | 27.1° | 60.1° |
| HAK2 | CAK | CAJ | HAJ2 | 149.2° | 180.0° |
| HAJ1 | CAJ | CAI | HAI1 | 161.4° | NaN° |
| HAJ1 | CAJ | CAI | HAI2 | 42.1° | 60.1° |
| HAJ2 | CAJ | CAI | HAI1 | 76.5° | 60.1° |
| HAJ2 | CAJ | CAI | HAI2 | 164.2° | 180.0° |
| HAI1 | CAI | CAH | HAH1 | 49.3° | 180.0° |
| HAI1 | CAI | CAH | HAH2 | 73.2° | 60.1° |
| HAI2 | CAI | CAH | HAH1 | 168.5° | 60.0° |
| HAI2 | CAI | CAH | HAH2 | 46.1° | 179.9° |
| HAH1 | CAH | CAG | HAG1 | 68.9° | 180.0° |
| HAH1 | CAH | CAG | HAG2 | 169.3° | 60.0° |
| HAH2 | CAH | CAG | HAG1 | 53.5° | 60.0° |
| HAH2 | CAH | CAG | HAG2 | 68.3° | 180.0° |
| HAG1 | CAG | CAE | HAE | 153.1° | 175.0° |
| HAG2 | CAG | CAE | HAE | 85.1° | 65.0° |
| HAE | CAE | CAD | HAD1 | 25.6° | 60.0° |
| HAE | CAE | CAD | HAD2 | 94.5° | 180.0° |
| HAE | CAE | CAD | HAD3 | 145.6° | 60.0° |
| HAE | CAE | CAF | HAF1 | 100.3° | 60.0° |
| HAE | CAE | CAF | HAF2 | 19.7° | 59.9° |
| HAE | CAE | CAF | HAF3 | 139.7° | 180.0° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| HAF1 | CAF | HAF2 | HAF3 | 120.0° | 120.0° |
