48E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAK | sing | 1.43Å | 1.44Å | |
| OAO | CAJ | sing | 1.43Å | 1.43Å | |
| CAK | CAJ | sing | 1.54Å | 1.48Å | |
| CAK | CAI | sing | 1.54Å | 1.52Å | |
| CAJ | CAM | sing | 1.55Å | 1.51Å | |
| CAM | CAP | sing | 1.53Å | 1.53Å | |
| CAM | OAL | sing | 1.44Å | 1.45Å | |
| CAP | NAQ | sing | 1.47Å | 1.47Å | |
| OAL | CAI | sing | 1.44Å | 1.46Å | |
| CAI | NAD | sing | 1.47Å | 1.50Å | |
| NAQ | C | sing | 1.35Å | 1.35Å | |
| OAG | CAB | doub | 1.22Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| NAD | CAB | sing | 1.34Å | 1.35Å | |
| NAD | CAF | sing | 1.37Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.46Å | 1.50Å | |
| CAB | NAA | sing | 1.35Å | 1.40Å | |
| CB | OG | sing | 1.43Å | 1.43Å | |
| NAX | N | sing | 1.29Å | 1.23Å | Aromatic |
| NAX | NAZ | doub | 1.29Å | 1.22Å | Aromatic |
| CAF | CAE | doub | 1.35Å | 1.39Å | |
| N | CAY | sing | 1.35Å | 1.34Å | Aromatic |
| NAA | CAC | sing | 1.35Å | 1.39Å | |
| NAZ | CBA | sing | 1.34Å | 1.32Å | Aromatic |
| CAE | CAC | sing | 1.42Å | 1.39Å | |
| CAY | CBA | doub | 1.37Å | 1.32Å | Aromatic |
| CAC | OAH | doub | 1.22Å | 1.23Å | |
| CBA | CBB | sing | 1.48Å | 1.34Å | |
| CBB | CBF | doub | 1.39Å | 1.40Å | Aromatic |
| CBB | CBG | sing | 1.39Å | 1.40Å | Aromatic |
| CBF | CBD | sing | 1.38Å | 1.40Å | Aromatic |
| CBG | CBE | doub | 1.38Å | 1.40Å | Aromatic |
| CBD | CBC | doub | 1.38Å | 1.40Å | Aromatic |
| CBE | CBC | sing | 1.38Å | 1.40Å | Aromatic |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| OAN | H6 | sing | 0.97Å | 0.95Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| OAO | H8 | sing | 0.97Å | 0.95Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| NAQ | H12 | sing | 0.97Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| OG | H16 | sing | 0.97Å | 0.95Å | |
| CAY | H17 | sing | 1.08Å | 1.08Å | |
| CBF | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| CBC | H20 | sing | 1.08Å | 1.08Å | |
| CBE | H21 | sing | 1.08Å | 1.08Å | |
| CBG | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAK | CAJ | 111.0° | 110.6° |
| OAN | CAK | CAI | 110.5° | 110.6° |
| OAN | CAK | H5 | 111.7° | 110.5° |
| CAK | OAN | H6 | 109.5° | 114.0° |
| OAO | CAJ | CAK | 111.0° | 110.5° |
| OAO | CAJ | CAM | 110.6° | 110.5° |
| OAO | CAJ | H7 | 111.0° | 110.6° |
| CAJ | OAO | H8 | 109.5° | 114.0° |
| CAJ | CAK | CAI | 101.9° | 104.1° |
| CAK | CAJ | CAM | 103.9° | 104.0° |
| CAJ | CAK | H5 | 110.9° | 110.5° |
| CAK | CAJ | H7 | 110.3° | 110.6° |
| CAK | CAI | OAL | 106.2° | 104.9° |
| CAK | CAI | NAD | 111.9° | 110.4° |
| CAK | CAI | H4 | 108.0° | 110.3° |
| CAI | CAK | H5 | 110.4° | 110.4° |
| CAJ | CAM | CAP | 107.3° | 110.4° |
| CAJ | CAM | OAL | 105.4° | 104.8° |
| CAM | CAJ | H7 | 109.8° | 110.5° |
| CAJ | CAM | H9 | 109.0° | 110.3° |
| CAP | CAM | OAL | 116.2° | 110.4° |
| CAM | CAP | NAQ | 114.0° | 109.5° |
| CAP | CAM | H9 | 108.8° | 110.3° |
| CAM | CAP | H10 | 108.3° | 109.5° |
| CAM | CAP | H11 | 108.3° | 109.5° |
| CAM | OAL | CAI | 108.3° | 105.3° |
| OAL | CAM | H9 | 109.8° | 110.4° |
| CAP | NAQ | C | 122.7° | 120.0° |
| NAQ | CAP | H10 | 108.3° | 109.4° |
| NAQ | CAP | H11 | 108.3° | 109.4° |
| CAP | NAQ | H12 | 118.7° | 119.9° |
| OAL | CAI | NAD | 113.4° | 110.4° |
| OAL | CAI | H4 | 108.8° | 110.4° |
| CAI | NAD | CAB | 120.2° | 119.7° |
| CAI | NAD | CAF | 121.0° | 119.6° |
| NAD | CAI | H4 | 108.3° | 110.3° |
| NAQ | C | CA | 116.1° | 120.0° |
| NAQ | C | O | 123.5° | 120.0° |
| C | NAQ | H12 | 118.7° | 120.1° |
| OAG | CAB | NAD | 122.0° | 119.5° |
| OAG | CAB | NAA | 117.7° | 119.5° |
| CA | C | O | 120.3° | 120.0° |
| C | CA | CB | 107.3° | 109.5° |
| C | CA | N | 110.5° | 109.5° |
| C | CA | H13 | 109.0° | 109.5° |
| CAB | NAD | CAF | 118.9° | 120.6° |
| NAD | CAB | NAA | 120.3° | 120.9° |
| NAD | CAF | CAE | 121.5° | 119.7° |
| NAD | CAF | H3 | 119.3° | 120.2° |
| CB | CA | N | 111.6° | 109.5° |
| CA | CB | OG | 111.1° | 109.4° |
| CB | CA | H13 | 108.9° | 109.5° |
| CA | CB | H14 | 109.0° | 109.5° |
| CA | CB | H15 | 109.0° | 109.5° |
| CA | N | NAX | 122.0° | 125.8° |
| CA | N | CAY | 129.2° | 125.8° |
| N | CA | H13 | 109.4° | 109.5° |
| CAB | NAA | CAC | 121.2° | 120.3° |
| CAB | NAA | H1 | 119.4° | 119.9° |
| OG | CB | H14 | 109.1° | 109.4° |
| OG | CB | H15 | 109.1° | 109.5° |
| CB | OG | H16 | 109.5° | 114.0° |
| N | NAX | NAZ | 112.0° | 110.5° |
| NAX | N | CAY | 108.7° | 108.5° |
| NAX | NAZ | CBA | 108.2° | 108.8° |
| CAF | CAE | CAC | 118.7° | 119.1° |
| CAF | CAE | H2 | 120.6° | 120.5° |
| CAE | CAF | H3 | 119.2° | 120.1° |
| N | CAY | CBA | 104.3° | 106.0° |
| N | CAY | H17 | 127.8° | 127.0° |
| NAA | CAC | CAE | 119.4° | 119.4° |
| NAA | CAC | OAH | 118.9° | 120.3° |
| CAC | NAA | H1 | 119.4° | 119.9° |
| NAZ | CBA | CAY | 106.7° | 106.2° |
| NAZ | CBA | CBB | 125.2° | 126.9° |
| CAE | CAC | OAH | 121.7° | 120.3° |
| CAC | CAE | H2 | 120.7° | 120.4° |
| CAY | CBA | CBB | 128.1° | 126.8° |
| CBA | CAY | H17 | 127.9° | 127.0° |
| CBA | CBB | CBF | 120.1° | 120.1° |
| CBA | CBB | CBG | 120.9° | 120.2° |
| CBF | CBB | CBG | 119.0° | 119.8° |
| CBB | CBF | CBD | 120.5° | 119.9° |
| CBB | CBF | H18 | 119.7° | 120.0° |
| CBB | CBG | CBE | 120.7° | 119.9° |
| CBB | CBG | H22 | 119.6° | 120.1° |
| CBF | CBD | CBC | 120.0° | 120.1° |
| CBD | CBF | H18 | 119.7° | 120.1° |
| CBF | CBD | H19 | 120.0° | 119.9° |
| CBG | CBE | CBC | 119.9° | 120.1° |
| CBG | CBE | H21 | 120.1° | 120.0° |
| CBE | CBG | H22 | 119.6° | 120.0° |
| CBD | CBC | CBE | 119.8° | 120.2° |
| CBC | CBD | H19 | 120.0° | 120.0° |
| CBD | CBC | H20 | 120.1° | 119.9° |
| CBE | CBC | H20 | 120.1° | 119.9° |
| CBC | CBE | H21 | 120.0° | 119.9° |
| H10 | CAP | H11 | 109.4° | 109.5° |
| H14 | CB | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAK | CAJ | OAO | 38.7° | 0.1° |
| OAN | CAK | CAJ | CAI | 117.7° | 118.7° |
| OAN | CAK | CAJ | H5 | 124.8° | 122.7° |
| OAN | CAK | CAI | H5 | 124.0° | 122.6° |
| OAN | CAK | CAJ | CAM | 80.3° | 118.7° |
| OAN | CAK | CAI | OAL | 87.2° | 142.6° |
| OAN | CAK | CAI | NAD | 148.6° | 98.5° |
| OAN | CAK | CAI | H4 | 29.4° | 23.7° |
| OAN | CAK | CAJ | H7 | 162.1° | 122.7° |
| OAO | CAJ | CAK | CAM | 118.9° | 118.6° |
| OAO | CAJ | CAK | H7 | 123.4° | 122.7° |
| OAO | CAJ | CAK | CAI | 156.4° | 118.7° |
| OAO | CAJ | CAM | H7 | 122.9° | 122.7° |
| OAO | CAJ | CAM | CAP | 85.1° | 98.6° |
| OAO | CAJ | CAM | OAL | 150.4° | 142.5° |
| OAO | CAJ | CAK | H5 | 86.1° | 122.8° |
| OAO | CAJ | CAM | H9 | 32.5° | 23.7° |
| CAJ | CAK | CAI | H5 | 117.9° | 118.6° |
| CAK | CAJ | CAM | H7 | 118.0° | 118.7° |
| CAK | CAJ | CAM | CAP | 155.7° | 142.8° |
| CAK | CAJ | CAM | OAL | 31.2° | 23.9° |
| CAJ | CAK | CAI | OAL | 30.9° | 23.9° |
| CAJ | CAK | CAI | NAD | 93.4° | 142.8° |
| CAJ | CAK | CAI | H4 | 147.5° | 95.0° |
| CAJ | CAK | OAN | H6 | 180.0° | 61.4° |
| CAK | CAJ | OAO | H8 | 180.0° | 61.5° |
| CAK | CAJ | CAM | H9 | 86.6° | 94.9° |
| CAI | CAK | CAJ | CAM | 37.4° | 0.0° |
| CAK | CAI | OAL | CAM | 12.0° | 40.4° |
| CAK | CAI | OAL | NAD | 123.3° | 118.9° |
| CAK | CAI | OAL | H4 | 116.0° | 118.8° |
| CAK | CAI | NAD | H4 | 119.0° | 122.2° |
| CAK | CAI | NAD | CAB | 69.7° | 116.5° |
| CAK | CAI | NAD | CAF | 111.1° | 63.2° |
| CAI | CAK | OAN | H6 | 67.7° | 176.1° |
| CAI | CAK | CAJ | H7 | 80.2° | 118.6° |
| CAJ | CAM | CAP | OAL | 117.7° | 115.4° |
| CAJ | CAM | CAP | H9 | 117.8° | 122.2° |
| CAJ | CAM | OAL | H9 | 117.3° | 118.8° |
| CAJ | CAM | CAP | NAQ | 176.0° | 175.0° |
| CAJ | CAM | OAL | CAI | 11.6° | 40.4° |
| CAM | CAJ | CAK | H5 | 154.9° | 118.6° |
| CAM | CAJ | OAO | H8 | 65.2° | 176.1° |
| CAJ | CAM | CAP | H10 | 63.3° | 55.0° |
| CAJ | CAM | CAP | H11 | 55.3° | 65.0° |
| CAP | CAM | OAL | H9 | 124.0° | 122.3° |
| CAM | CAP | NAQ | H10 | 120.7° | 120.0° |
| CAM | CAP | NAQ | H11 | 120.7° | 120.0° |
| CAP | CAM | OAL | CAI | 130.3° | 159.3° |
| CAM | CAP | NAQ | C | 95.2° | 180.0° |
| CAP | CAM | CAJ | H7 | 37.8° | 24.2° |
| CAM | CAP | H10 | H11 | 117.9° | 120.0° |
| CAM | CAP | NAQ | H12 | 84.8° | 0.1° |
| OAL | CAM | CAP | NAQ | 58.3° | 69.6° |
| CAM | OAL | CAI | NAD | 111.4° | 159.3° |
| CAM | OAL | CAI | H4 | 128.0° | 78.5° |
| OAL | CAM | CAJ | H7 | 86.7° | 94.7° |
| OAL | CAM | CAP | H10 | 179.0° | 170.4° |
| OAL | CAM | CAP | H11 | 62.4° | 50.4° |
| CAP | NAQ | C | H12 | 180.0° | 179.9° |
| CAP | NAQ | C | CA | 176.1° | 180.0° |
| CAP | NAQ | C | O | 2.0° | 0.0° |
| NAQ | CAP | CAM | H9 | 66.2° | 52.8° |
| NAQ | CAP | H10 | H11 | 117.9° | 120.0° |
| OAL | CAI | NAD | H4 | 120.9° | 122.3° |
| OAL | CAI | NAD | CAB | 170.2° | 127.9° |
| OAL | CAI | NAD | CAF | 9.0° | 52.3° |
| OAL | CAI | CAK | H5 | 148.8° | 94.8° |
| CAI | OAL | CAM | H9 | 105.7° | 78.4° |
| CAI | NAD | CAB | OAG | 0.8° | 0.0° |
| CAI | NAD | CAB | CAF | 179.2° | 179.8° |
| CAI | NAD | CAB | NAA | 179.8° | 179.7° |
| CAI | NAD | CAF | CAE | 179.6° | 179.8° |
| CAI | NAD | CAF | H3 | 0.4° | 0.0° |
| NAD | CAI | CAK | H5 | 24.6° | 24.2° |
| NAQ | C | CA | O | 178.2° | 180.0° |
| NAQ | C | CA | CB | 90.4° | 60.0° |
| NAQ | C | CA | N | 147.8° | 180.0° |
| C | NAQ | CAP | H10 | 144.2° | 60.0° |
| C | NAQ | CAP | H11 | 25.5° | 60.0° |
| NAQ | C | CA | H13 | 27.5° | 59.9° |
| OAG | CAB | NAD | NAA | 179.3° | 179.7° |
| OAG | CAB | NAD | CAF | 179.9° | 179.8° |
| OAG | CAB | NAA | CAC | 179.9° | 180.0° |
| OAG | CAB | NAA | H1 | 0.1° | 0.0° |
| C | CA | CB | N | 121.2° | 120.0° |
| C | CA | CB | H13 | 117.9° | 120.0° |
| C | CA | N | H13 | 120.0° | 120.0° |
| C | CA | CB | OG | 165.1° | 175.0° |
| C | CA | N | NAX | 104.5° | 94.7° |
| C | CA | N | CAY | 75.6° | 85.0° |
| CA | C | NAQ | H12 | 3.9° | 0.1° |
| C | CA | CB | H14 | 74.6° | 55.0° |
| C | CA | CB | H15 | 44.8° | 65.0° |
| O | C | CA | CB | 87.8° | 120.0° |
| O | C | CA | N | 34.1° | 0.0° |
| O | C | NAQ | H12 | 178.0° | 180.0° |
| O | C | CA | H13 | 154.4° | 120.0° |
| CAB | NAD | CAF | CAE | 0.4° | 0.5° |
| NAD | CAB | NAA | CAC | 0.7° | 0.3° |
| NAD | CAB | NAA | H1 | 179.3° | 179.8° |
| CAB | NAD | CAF | H3 | 179.6° | 179.8° |
| CAB | NAD | CAI | H4 | 49.3° | 5.6° |
| CAF | NAD | CAB | NAA | 0.6° | 0.5° |
| NAD | CAF | CAE | H3 | 180.0° | 179.8° |
| NAD | CAF | CAE | CAC | 0.3° | 0.2° |
| NAD | CAF | CAE | H2 | 179.7° | 179.8° |
| CAF | NAD | CAI | H4 | 130.0° | 174.6° |
| CB | CA | N | H13 | 120.7° | 120.0° |
| CA | CB | OG | H14 | 120.2° | 119.9° |
| CA | CB | OG | H15 | 120.2° | 120.0° |
| CB | CA | N | NAX | 136.2° | 145.3° |
| CB | CA | N | CAY | 43.7° | 35.0° |
| CA | CB | H14 | H15 | 119.2° | 120.0° |
| CA | CB | OG | H16 | 180.0° | 180.0° |
| N | CA | CB | OG | 43.9° | 65.0° |
| CA | N | NAX | CAY | 179.9° | 179.8° |
| CA | N | NAX | NAZ | 179.9° | 180.0° |
| CA | N | CAY | CBA | 180.0° | 179.9° |
| N | CA | CB | H14 | 164.2° | 175.1° |
| N | CA | CB | H15 | 76.4° | 55.0° |
| CA | N | CAY | H17 | 0.0° | 0.0° |
| CAB | NAA | CAC | H1 | 180.0° | 180.0° |
| CAB | NAA | CAC | CAE | 0.6° | 0.0° |
| CAB | NAA | CAC | OAH | 179.8° | 180.0° |
| OG | CB | CA | H13 | 77.0° | 55.0° |
| OG | CB | H14 | H15 | 119.3° | 120.0° |
| N | NAX | NAZ | CBA | 0.1° | 0.1° |
| NAX | N | CAY | CBA | 0.1° | 0.2° |
| NAX | N | CA | H13 | 15.5° | 25.3° |
| NAX | N | CAY | H17 | 179.9° | 179.8° |
| NAZ | NAX | N | CAY | 0.2° | 0.2° |
| NAX | NAZ | CBA | CAY | 0.0° | 0.0° |
| NAX | NAZ | CBA | CBB | 179.9° | 179.9° |
| CAF | CAE | CAC | NAA | 0.4° | 0.0° |
| CAF | CAE | CAC | H2 | 180.0° | 180.0° |
| CAF | CAE | CAC | OAH | 179.6° | 180.0° |
| N | CAY | CBA | NAZ | 0.1° | 0.1° |
| N | CAY | CBA | H17 | 180.0° | 180.0° |
| N | CAY | CBA | CBB | 180.0° | 180.0° |
| CAY | N | CA | H13 | 164.3° | 155.0° |
| NAA | CAC | CAE | OAH | 179.2° | 180.0° |
| NAA | CAC | CAE | H2 | 179.6° | 180.0° |
| NAZ | CBA | CAY | CBB | 180.0° | 179.9° |
| NAZ | CBA | CBB | CBF | 50.8° | 0.2° |
| NAZ | CBA | CBB | CBG | 128.5° | 179.9° |
| NAZ | CBA | CAY | H17 | 180.0° | 179.9° |
| CAE | CAC | NAA | H1 | 179.4° | 180.0° |
| CAC | CAE | CAF | H3 | 179.7° | 180.0° |
| CAY | CBA | CBB | CBF | 129.2° | 180.0° |
| CAY | CBA | CBB | CBG | 51.5° | 0.3° |
| OAH | CAC | NAA | H1 | 0.2° | 0.0° |
| OAH | CAC | CAE | H2 | 0.4° | 0.1° |
| CBA | CBB | CBF | CBG | 179.3° | 179.7° |
| CBA | CBB | CBF | CBD | 179.6° | 180.0° |
| CBA | CBB | CBG | CBE | 179.6° | 179.7° |
| CBB | CBA | CAY | H17 | 0.0° | 0.0° |
| CBA | CBB | CBF | H18 | 0.4° | 0.0° |
| CBA | CBB | CBG | H22 | 0.5° | 0.0° |
| CBB | CBF | CBD | H18 | 180.0° | 180.0° |
| CBF | CBB | CBG | CBE | 0.3° | 0.6° |
| CBB | CBF | CBD | CBC | 0.2° | 0.0° |
| CBB | CBF | CBD | H19 | 179.8° | 180.0° |
| CBF | CBB | CBG | H22 | 179.7° | 179.7° |
| CBG | CBB | CBF | CBD | 0.3° | 0.3° |
| CBB | CBG | CBE | H22 | 180.0° | 179.7° |
| CBB | CBG | CBE | CBC | 0.1° | 0.6° |
| CBG | CBB | CBF | H18 | 179.7° | 179.7° |
| CBB | CBG | CBE | H21 | 179.9° | 179.7° |
| CBF | CBD | CBC | H19 | 180.0° | 180.0° |
| CBF | CBD | CBC | CBE | 0.0° | 0.0° |
| CBF | CBD | CBC | H20 | 180.0° | 180.0° |
| CBG | CBE | CBC | CBD | 0.0° | 0.4° |
| CBG | CBE | CBC | H21 | 180.0° | 179.6° |
| CBG | CBE | CBC | H20 | 180.0° | 179.7° |
| CBD | CBC | CBE | H20 | 180.0° | 179.9° |
| CBC | CBD | CBF | H18 | 179.8° | 180.0° |
| CBD | CBC | CBE | H21 | 180.0° | 180.0° |
| CBE | CBC | CBD | H19 | 180.0° | 179.9° |
| CBC | CBE | CBG | H22 | 179.9° | 179.6° |
| H2 | CAE | CAF | H3 | 0.3° | 0.1° |
| H4 | CAI | CAK | H5 | 94.6° | 146.4° |
| H5 | CAK | OAN | H6 | 55.6° | 61.3° |
| H5 | CAK | CAJ | H7 | 37.3° | 0.0° |
| H7 | CAJ | OAO | H8 | 57.0° | 61.2° |
| H7 | CAJ | CAM | H9 | 155.4° | 146.4° |
| H9 | CAM | CAP | H10 | 54.5° | 67.2° |
| H9 | CAM | CAP | H11 | 173.1° | 172.8° |
| H10 | CAP | NAQ | H12 | 35.9° | 119.9° |
| H11 | CAP | NAQ | H12 | 154.5° | 120.1° |
| H13 | CA | CB | H14 | 43.2° | 64.9° |
| H13 | CA | CB | H15 | 162.7° | 175.0° |
| H14 | CB | OG | H16 | 59.8° | 60.1° |
| H15 | CB | OG | H16 | 59.7° | 60.0° |
| H18 | CBF | CBD | H19 | 0.2° | 0.0° |
| H19 | CBD | CBC | H20 | 0.0° | 0.0° |
| H20 | CBC | CBE | H21 | 0.0° | 0.1° |
| H21 | CBE | CBG | H22 | 0.1° | 0.0° |
