A1L4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.32Å | |
| O | C | sing | 1.34Å | 1.28Å | |
| OAN | PAL | doub | 1.48Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| OAO | PAL | sing | 1.61Å | 1.58Å | |
| OAW | CAU | doub | 1.21Å | 1.27Å | |
| PAL | OAM | sing | 1.61Å | 1.49Å | |
| PAL | OAK | sing | 1.61Å | 1.71Å | |
| CA | CAU | sing | 1.51Å | 1.59Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| CAU | OAV | sing | 1.34Å | 1.26Å | |
| CAJ | OAK | sing | 1.43Å | 1.47Å | |
| CAJ | CAH | sing | 1.51Å | 1.54Å | |
| N | CAB | doub | 1.29Å | 1.51Å | |
| CAB | CAC | sing | 1.48Å | 1.45Å | |
| CAH | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.41Å | 1.42Å | Aromatic |
| CAG | NAF | doub | 1.32Å | 1.39Å | Aromatic |
| CAD | OAI | sing | 1.36Å | 1.34Å | |
| CAD | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| NAF | CAE | sing | 1.32Å | 1.34Å | Aromatic |
| CAE | CAP | sing | 1.51Å | 1.46Å | |
| OAO | H1 | sing | 0.97Å | 0.95Å | |
| OAM | H2 | sing | 0.97Å | 0.95Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| OAI | H9 | sing | 0.97Å | 0.95Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| OAV | H15 | sing | 0.97Å | 0.95Å | |
| O | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 125.3° | 120.0° |
| OXT | C | CA | 113.4° | 120.0° |
| O | C | CA | 116.9° | 120.1° |
| C | O | H16 | 109.5° | 117.0° |
| OAN | PAL | OAO | 107.7° | 109.5° |
| OAN | PAL | OAM | 119.0° | 109.5° |
| OAN | PAL | OAK | 108.3° | 109.5° |
| C | CA | CAU | 106.9° | 109.4° |
| C | CA | N | 112.9° | 109.5° |
| C | CA | H14 | 108.2° | 109.5° |
| OAO | PAL | OAM | 114.4° | 109.5° |
| OAO | PAL | OAK | 104.1° | 109.5° |
| PAL | OAO | H1 | 109.5° | 114.0° |
| OAW | CAU | CA | 118.5° | 119.9° |
| OAW | CAU | OAV | 125.8° | 120.0° |
| OAM | PAL | OAK | 101.9° | 109.4° |
| PAL | OAM | H2 | 109.5° | 114.0° |
| PAL | OAK | CAJ | 111.2° | 123.0° |
| CAU | CA | N | 111.9° | 109.5° |
| CA | CAU | OAV | 115.2° | 120.0° |
| CAU | CA | H14 | 107.7° | 109.4° |
| CA | N | CAB | 120.2° | 120.0° |
| N | CA | H14 | 109.0° | 109.5° |
| CAU | OAV | H15 | 109.5° | 117.0° |
| OAK | CAJ | CAH | 102.0° | 109.5° |
| OAK | CAJ | H3 | 111.3° | 109.5° |
| OAK | CAJ | H4 | 111.3° | 109.4° |
| CAJ | CAH | CAC | 122.5° | 120.5° |
| CAJ | CAH | CAG | 119.3° | 120.5° |
| CAH | CAJ | H3 | 111.3° | 109.5° |
| CAH | CAJ | H4 | 111.3° | 109.5° |
| N | CAB | CAC | 112.2° | 120.1° |
| N | CAB | H10 | 123.9° | 119.9° |
| CAB | CAC | CAH | 125.7° | 121.0° |
| CAB | CAC | CAD | 116.3° | 121.0° |
| CAC | CAB | H10 | 123.9° | 120.0° |
| CAC | CAH | CAG | 118.2° | 119.1° |
| CAH | CAC | CAD | 117.8° | 118.0° |
| CAH | CAG | NAF | 122.7° | 121.1° |
| CAH | CAG | H5 | 118.7° | 119.4° |
| CAC | CAD | OAI | 117.6° | 120.5° |
| CAC | CAD | CAE | 122.7° | 118.9° |
| CAG | NAF | CAE | 121.2° | 122.2° |
| NAF | CAG | H5 | 118.6° | 119.5° |
| OAI | CAD | CAE | 119.0° | 120.6° |
| CAD | OAI | H9 | 109.5° | 114.0° |
| CAD | CAE | NAF | 116.9° | 120.8° |
| CAD | CAE | CAP | 122.1° | 119.6° |
| NAF | CAE | CAP | 120.6° | 119.7° |
| CAE | CAP | H6 | 109.5° | 109.5° |
| CAE | CAP | H7 | 109.4° | 109.5° |
| CAE | CAP | H8 | 109.5° | 109.4° |
| H3 | CAJ | H4 | 109.5° | 109.5° |
| H6 | CAP | H7 | 109.5° | 109.5° |
| H6 | CAP | H8 | 109.4° | 109.4° |
| H7 | CAP | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 154.7° | 180.0° |
| OXT | C | CA | CAU | 66.7° | 120.0° |
| OXT | C | CA | N | 169.8° | 0.0° |
| OXT | C | CA | H14 | 49.1° | 120.1° |
| OXT | C | O | H16 | 0.0° | 0.0° |
| O | C | CA | CAU | 91.0° | 60.0° |
| O | C | CA | N | 32.5° | 180.0° |
| O | C | CA | H14 | 153.2° | 59.9° |
| OAN | PAL | OAO | OAM | 134.8° | 120.0° |
| OAN | PAL | OAO | OAK | 114.9° | 120.0° |
| OAN | PAL | OAM | OAK | 118.9° | 120.0° |
| OAN | PAL | OAK | CAJ | 37.1° | 55.0° |
| OAN | PAL | OAO | H1 | 0.0° | 60.0° |
| OAN | PAL | OAM | H2 | 0.0° | 180.0° |
| C | CA | CAU | OAW | 37.1° | 120.0° |
| C | CA | CAU | N | 124.1° | 120.0° |
| C | CA | CAU | H14 | 116.1° | 119.9° |
| C | CA | N | H14 | 120.3° | 120.0° |
| C | CA | CAU | OAV | 134.7° | 60.0° |
| C | CA | N | CAB | 90.8° | 120.1° |
| CA | C | O | H16 | 154.7° | 180.0° |
| OAO | PAL | OAM | OAK | 111.7° | 120.0° |
| OAO | PAL | OAK | CAJ | 77.4° | 175.0° |
| OAO | PAL | OAM | H2 | 129.4° | 59.9° |
| OAW | CAU | CA | OAV | 171.8° | 180.0° |
| OAW | CAU | CA | N | 161.2° | 0.0° |
| OAW | CAU | CA | H14 | 79.0° | 120.0° |
| OAW | CAU | OAV | H15 | 0.0° | 0.0° |
| OAM | PAL | OAK | CAJ | 163.3° | 65.0° |
| OAM | PAL | OAO | H1 | 134.8° | 60.0° |
| PAL | OAK | CAJ | CAH | 162.5° | 180.0° |
| OAK | PAL | OAO | H1 | 114.9° | 180.0° |
| OAK | PAL | OAM | H2 | 118.9° | 60.1° |
| PAL | OAK | CAJ | H3 | 43.8° | 60.0° |
| PAL | OAK | CAJ | H4 | 78.7° | 60.0° |
| CAU | CA | N | H14 | 119.0° | 120.0° |
| CAU | CA | N | CAB | 148.5° | 120.0° |
| CA | CAU | OAV | H15 | 171.1° | 180.0° |
| N | CA | CAU | OAV | 10.6° | 180.0° |
| CA | N | CAB | CAC | 178.9° | 180.0° |
| CA | N | CAB | H10 | 1.1° | 0.1° |
| OAV | CAU | CA | H14 | 109.2° | 60.0° |
| OAK | CAJ | CAH | H3 | 118.8° | 120.0° |
| OAK | CAJ | CAH | H4 | 118.8° | 120.0° |
| OAK | CAJ | CAH | CAC | 73.9° | 180.0° |
| OAK | CAJ | CAH | CAG | 107.1° | 0.3° |
| OAK | CAJ | H3 | H4 | 123.5° | 120.0° |
| CAJ | CAH | CAC | CAB | 2.5° | 0.0° |
| CAJ | CAH | CAC | CAG | 179.1° | 179.7° |
| CAJ | CAH | CAC | CAD | 177.4° | 179.8° |
| CAJ | CAH | CAG | NAF | 177.6° | 180.0° |
| CAH | CAJ | H3 | H4 | 123.5° | 120.0° |
| CAJ | CAH | CAG | H5 | 2.4° | 0.1° |
| N | CAB | CAC | H10 | 180.0° | 179.9° |
| N | CAB | CAC | CAH | 114.7° | 179.9° |
| N | CAB | CAC | CAD | 60.3° | 0.3° |
| CAB | N | CA | H14 | 29.4° | 0.0° |
| CAB | CAC | CAH | CAD | 174.9° | 179.8° |
| CAB | CAC | CAH | CAG | 176.6° | 179.7° |
| CAB | CAC | CAD | OAI | 9.3° | 0.0° |
| CAB | CAC | CAD | CAE | 179.8° | 179.7° |
| CAC | CAH | CAG | NAF | 1.5° | 0.3° |
| CAH | CAC | CAD | OAI | 175.3° | 179.9° |
| CAH | CAC | CAD | CAE | 4.8° | 0.4° |
| CAC | CAH | CAJ | H3 | 44.9° | 60.0° |
| CAC | CAH | CAJ | H4 | 167.4° | 60.0° |
| CAC | CAH | CAG | H5 | 178.5° | 179.8° |
| CAH | CAC | CAB | H10 | 65.3° | 0.0° |
| CAG | CAH | CAC | CAD | 1.7° | 0.5° |
| CAH | CAG | NAF | H5 | 180.0° | 179.9° |
| CAH | CAG | NAF | CAE | 4.5° | 0.0° |
| CAG | CAH | CAJ | H3 | 134.2° | 119.7° |
| CAG | CAH | CAJ | H4 | 11.7° | 120.3° |
| CAC | CAD | OAI | CAE | 170.8° | 179.7° |
| CAC | CAD | CAE | NAF | 7.5° | 0.2° |
| CAC | CAD | CAE | CAP | 179.9° | 179.8° |
| CAC | CAD | OAI | H9 | 180.0° | 89.7° |
| CAD | CAC | CAB | H10 | 119.8° | 179.8° |
| CAG | NAF | CAE | CAD | 7.2° | 0.0° |
| CAG | NAF | CAE | CAP | 179.6° | 180.0° |
| OAI | CAD | CAE | NAF | 177.9° | 179.9° |
| OAI | CAD | CAE | CAP | 9.8° | 0.0° |
| CAD | CAE | NAF | CAP | 172.5° | 180.0° |
| CAD | CAE | CAP | H6 | 172.1° | 90.0° |
| CAD | CAE | CAP | H7 | 67.9° | 30.0° |
| CAD | CAE | CAP | H8 | 52.1° | 150.1° |
| CAE | CAD | OAI | H9 | 9.2° | 90.0° |
| CAE | NAF | CAG | H5 | 175.5° | 179.9° |
| NAF | CAE | CAP | H6 | 0.0° | 89.9° |
| NAF | CAE | CAP | H7 | 120.0° | 150.0° |
| NAF | CAE | CAP | H8 | 120.0° | 30.0° |
| CAE | CAP | H6 | H7 | 120.0° | 120.0° |
| CAE | CAP | H6 | H8 | 120.0° | 119.9° |
| CAE | CAP | H7 | H8 | 120.0° | 120.0° |
| H6 | CAP | H7 | H8 | 120.0° | 120.0° |
