48C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBG | CBD | sing | 1.43Å | 1.46Å | |
| OBH | CBC | sing | 1.43Å | 1.41Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CBD | CBC | sing | 1.55Å | 1.49Å | |
| CBD | CBB | sing | 1.54Å | 1.54Å | |
| CBC | CBF | sing | 1.55Å | 1.52Å | |
| CBF | CAA | sing | 1.53Å | 1.59Å | |
| CBF | OBE | sing | 1.44Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CAA | NAB | sing | 1.47Å | 1.48Å | |
| OBE | CBB | sing | 1.44Å | 1.44Å | |
| CBB | NAW | sing | 1.47Å | 1.50Å | |
| NAB | C | sing | 1.35Å | 1.39Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OAZ | CAU | doub | 1.22Å | 1.23Å | |
| NAW | CAU | sing | 1.35Å | 1.35Å | |
| NAW | CAY | sing | 1.37Å | 1.43Å | |
| CAU | NAT | sing | 1.35Å | 1.38Å | |
| CAY | CAX | doub | 1.35Å | 1.40Å | |
| NAT | CAV | sing | 1.35Å | 1.41Å | |
| CAX | CAV | sing | 1.42Å | 1.39Å | |
| CAV | OBA | doub | 1.22Å | 1.24Å | |
| NAT | H1 | sing | 0.97Å | 1.00Å | |
| CAX | H2 | sing | 1.08Å | 1.08Å | |
| CAY | H3 | sing | 1.08Å | 1.08Å | |
| CBB | H4 | sing | 1.09Å | 1.10Å | |
| CBD | H5 | sing | 1.09Å | 1.10Å | |
| OBG | H6 | sing | 0.97Å | 0.95Å | |
| CBC | H7 | sing | 1.09Å | 1.10Å | |
| OBH | H8 | sing | 0.97Å | 0.95Å | |
| CBF | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| NAB | H12 | sing | 0.97Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBG | CBD | CBC | 111.6° | 110.5° |
| OBG | CBD | CBB | 112.0° | 110.5° |
| OBG | CBD | H5 | 111.2° | 110.6° |
| CBD | OBG | H6 | 109.5° | 114.0° |
| OBH | CBC | CBD | 110.5° | 110.5° |
| OBH | CBC | CBF | 110.3° | 110.5° |
| OBH | CBC | H7 | 111.2° | 110.6° |
| CBC | OBH | H8 | 109.5° | 114.0° |
| N | CA | CB | 113.5° | 109.5° |
| N | CA | C | 114.8° | 109.5° |
| N | CA | H13 | 106.1° | 109.5° |
| CA | N | H14 | 109.5° | 111.0° |
| CA | N | H15 | 109.5° | 111.0° |
| CBC | CBD | CBB | 100.9° | 104.1° |
| CBD | CBC | CBF | 104.9° | 104.0° |
| CBC | CBD | H5 | 110.7° | 110.5° |
| CBD | CBC | H7 | 110.1° | 110.5° |
| CBD | CBB | OBE | 106.7° | 104.9° |
| CBD | CBB | NAW | 112.5° | 110.3° |
| CBD | CBB | H4 | 107.3° | 110.4° |
| CBB | CBD | H5 | 110.0° | 110.5° |
| CBC | CBF | CAA | 112.7° | 110.4° |
| CBC | CBF | OBE | 104.0° | 104.8° |
| CBF | CBC | H7 | 109.6° | 110.5° |
| CBC | CBF | H9 | 106.1° | 110.4° |
| CAA | CBF | OBE | 121.1° | 110.4° |
| CBF | CAA | NAB | 113.2° | 109.5° |
| CAA | CBF | H9 | 105.4° | 110.3° |
| CBF | CAA | H10 | 108.5° | 109.5° |
| CBF | CAA | H11 | 108.5° | 109.5° |
| CBF | OBE | CBB | 109.2° | 105.3° |
| OBE | CBF | H9 | 106.6° | 110.4° |
| CB | CA | C | 111.2° | 109.4° |
| CB | CA | H13 | 105.1° | 109.4° |
| CA | CB | H17 | 109.5° | 109.5° |
| CA | CB | H18 | 109.5° | 109.4° |
| CA | CB | H19 | 109.5° | 109.4° |
| CA | C | NAB | 128.4° | 120.0° |
| CA | C | O | 113.3° | 120.0° |
| C | CA | H13 | 105.0° | 109.5° |
| CAA | NAB | C | 137.0° | 120.0° |
| NAB | CAA | H10 | 108.5° | 109.5° |
| NAB | CAA | H11 | 108.5° | 109.5° |
| CAA | NAB | H12 | 111.5° | 120.0° |
| OBE | CBB | NAW | 113.9° | 110.4° |
| OBE | CBB | H4 | 108.5° | 110.4° |
| CBB | NAW | CAU | 118.8° | 119.6° |
| CBB | NAW | CAY | 122.3° | 119.7° |
| NAW | CBB | H4 | 107.8° | 110.3° |
| NAB | C | O | 118.2° | 120.0° |
| C | NAB | H12 | 111.5° | 120.0° |
| OAZ | CAU | NAW | 122.3° | 119.6° |
| OAZ | CAU | NAT | 117.3° | 119.5° |
| CAU | NAW | CAY | 118.9° | 120.7° |
| NAW | CAU | NAT | 120.4° | 120.9° |
| NAW | CAY | CAX | 121.3° | 119.7° |
| NAW | CAY | H3 | 119.4° | 120.2° |
| CAU | NAT | CAV | 122.1° | 120.3° |
| CAU | NAT | H1 | 119.0° | 119.9° |
| CAY | CAX | CAV | 118.7° | 119.1° |
| CAY | CAX | H2 | 120.6° | 120.5° |
| CAX | CAY | H3 | 119.3° | 120.1° |
| NAT | CAV | CAX | 118.6° | 119.4° |
| NAT | CAV | OBA | 119.0° | 120.3° |
| CAV | NAT | H1 | 119.0° | 119.9° |
| CAX | CAV | OBA | 122.4° | 120.3° |
| CAV | CAX | H2 | 120.6° | 120.4° |
| H10 | CAA | H11 | 109.5° | 109.4° |
| H14 | N | H15 | 109.5° | 111.0° |
| H17 | CB | H18 | 109.4° | 109.6° |
| H17 | CB | H19 | 109.4° | 109.5° |
| H18 | CB | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBG | CBD | CBC | OBH | 37.4° | 0.1° |
| OBG | CBD | CBC | CBB | 119.1° | 118.7° |
| OBG | CBD | CBC | H5 | 124.4° | 122.7° |
| OBG | CBD | CBB | H5 | 124.2° | 122.7° |
| OBG | CBD | CBC | CBF | 81.5° | 118.7° |
| OBG | CBD | CBB | OBE | 88.6° | 142.6° |
| OBG | CBD | CBB | NAW | 145.9° | 98.5° |
| OBG | CBD | CBB | H4 | 27.6° | 23.6° |
| OBG | CBD | CBC | H7 | 160.6° | 122.7° |
| OBH | CBC | CBD | CBF | 118.9° | 118.6° |
| OBH | CBC | CBD | H7 | 123.2° | 122.8° |
| OBH | CBC | CBD | CBB | 156.5° | 118.6° |
| OBH | CBC | CBF | H7 | 122.9° | 122.8° |
| OBH | CBC | CBF | CAA | 76.1° | 98.6° |
| OBH | CBC | CBF | OBE | 151.0° | 142.6° |
| OBH | CBC | CBD | H5 | 87.0° | 122.7° |
| OBH | CBC | CBF | H9 | 38.7° | 23.6° |
| N | CA | CB | C | 131.3° | 120.0° |
| N | CA | CB | H13 | 115.5° | 120.0° |
| N | CA | C | H13 | 116.1° | 120.0° |
| N | CA | C | NAB | 44.0° | 180.0° |
| N | CA | C | O | 139.4° | 0.0° |
| CA | N | H14 | H15 | 120.0° | 123.9° |
| N | CA | CB | H17 | 180.0° | 179.9° |
| N | CA | CB | H18 | 60.0° | 60.0° |
| N | CA | CB | H19 | 60.0° | 60.0° |
| CBC | CBD | CBB | H5 | 116.9° | 118.6° |
| CBD | CBC | CBF | H7 | 118.2° | 118.6° |
| CBD | CBC | CBF | CAA | 164.9° | 142.8° |
| CBD | CBC | CBF | OBE | 32.0° | 24.0° |
| CBC | CBD | CBB | OBE | 30.3° | 23.9° |
| CBC | CBD | CBB | NAW | 95.3° | 142.8° |
| CBC | CBD | CBB | H4 | 146.4° | 95.0° |
| CBC | CBD | OBG | H6 | 180.0° | 61.4° |
| CBD | CBC | OBH | H8 | 180.0° | 61.5° |
| CBD | CBC | CBF | H9 | 80.3° | 95.0° |
| CBB | CBD | CBC | CBF | 37.6° | 0.0° |
| CBD | CBB | OBE | CBF | 11.1° | 40.4° |
| CBD | CBB | OBE | NAW | 124.7° | 118.9° |
| CBD | CBB | OBE | H4 | 115.3° | 118.9° |
| CBD | CBB | NAW | H4 | 118.1° | 122.2° |
| CBD | CBB | NAW | CAU | 70.3° | 116.6° |
| CBD | CBB | NAW | CAY | 111.9° | 63.2° |
| CBB | CBD | OBG | H6 | 67.7° | 176.1° |
| CBB | CBD | CBC | H7 | 80.2° | 118.6° |
| CBC | CBF | CAA | OBE | 123.9° | 115.4° |
| CBC | CBF | CAA | H9 | 115.2° | 122.3° |
| CBC | CBF | OBE | H9 | 111.9° | 118.9° |
| CBC | CBF | CAA | NAB | 32.2° | 175.0° |
| CBC | CBF | OBE | CBB | 12.4° | 40.4° |
| CBF | CBC | CBD | H5 | 154.1° | 118.7° |
| CBF | CBC | OBH | H8 | 64.5° | 176.1° |
| CBC | CBF | CAA | H10 | 152.8° | 55.0° |
| CBC | CBF | CAA | H11 | 88.3° | 65.0° |
| CAA | CBF | OBE | H9 | 120.2° | 122.2° |
| CBF | CAA | NAB | H10 | 120.6° | 120.0° |
| CBF | CAA | NAB | H11 | 120.5° | 120.0° |
| CAA | CBF | OBE | CBB | 140.4° | 159.3° |
| CBF | CAA | NAB | C | 120.2° | 180.0° |
| CAA | CBF | CBC | H7 | 46.8° | 24.2° |
| CBF | CAA | H10 | H11 | 118.3° | 120.0° |
| CBF | CAA | NAB | H12 | 59.8° | 0.0° |
| OBE | CBF | CAA | NAB | 91.7° | 69.6° |
| CBF | OBE | CBB | NAW | 113.6° | 159.3° |
| CBF | OBE | CBB | H4 | 126.4° | 78.5° |
| OBE | CBF | CBC | H7 | 86.2° | 94.7° |
| OBE | CBF | CAA | H10 | 28.8° | 170.4° |
| OBE | CBF | CAA | H11 | 147.7° | 50.4° |
| CB | CA | C | H13 | 113.2° | 119.9° |
| CB | CA | C | NAB | 86.6° | 60.0° |
| CB | CA | C | O | 89.9° | 120.1° |
| CB | CA | N | H14 | 180.0° | 60.0° |
| CB | CA | N | H15 | 60.0° | 63.9° |
| CA | CB | H17 | H18 | 120.0° | 120.0° |
| CA | CB | H17 | H19 | 120.0° | 119.9° |
| CA | CB | H18 | H19 | 120.0° | 119.9° |
| CA | C | NAB | CAA | 4.6° | 180.0° |
| CA | C | NAB | O | 176.4° | 179.9° |
| CA | C | NAB | H12 | 175.4° | 0.0° |
| C | CA | N | H14 | 50.5° | 180.0° |
| C | CA | N | H15 | 170.5° | 56.1° |
| C | CA | CB | H17 | 48.7° | 60.0° |
| C | CA | CB | H18 | 71.3° | 60.1° |
| C | CA | CB | H19 | 168.7° | 180.0° |
| CAA | NAB | C | H12 | 180.0° | 179.9° |
| CAA | NAB | C | O | 179.0° | 0.0° |
| NAB | CAA | CBF | H9 | 147.5° | 52.7° |
| NAB | CAA | H10 | H11 | 118.3° | 120.0° |
| OBE | CBB | NAW | H4 | 120.4° | 122.3° |
| OBE | CBB | NAW | CAU | 168.1° | 127.9° |
| OBE | CBB | NAW | CAY | 9.7° | 52.3° |
| OBE | CBB | CBD | H5 | 147.2° | 94.7° |
| CBB | OBE | CBF | H9 | 99.4° | 78.5° |
| CBB | NAW | CAU | OAZ | 2.6° | 0.0° |
| CBB | NAW | CAU | CAY | 177.9° | 179.8° |
| CBB | NAW | CAU | NAT | 179.8° | 179.8° |
| CBB | NAW | CAY | CAX | 179.7° | 179.8° |
| CBB | NAW | CAY | H3 | 0.3° | 0.1° |
| NAW | CBB | CBD | H5 | 21.7° | 24.2° |
| C | NAB | CAA | H10 | 119.2° | 60.0° |
| C | NAB | CAA | H11 | 0.4° | 60.0° |
| NAB | C | CA | H13 | 160.1° | 60.0° |
| O | C | NAB | H12 | 1.0° | 179.9° |
| O | C | CA | H13 | 23.3° | 120.0° |
| OAZ | CAU | NAW | NAT | 177.2° | 179.8° |
| OAZ | CAU | NAW | CAY | 179.5° | 179.8° |
| OAZ | CAU | NAT | CAV | 179.7° | 180.0° |
| OAZ | CAU | NAT | H1 | 0.3° | 0.1° |
| CAU | NAW | CAY | CAX | 1.9° | 0.4° |
| NAW | CAU | NAT | CAV | 2.3° | 0.2° |
| NAW | CAU | NAT | H1 | 177.7° | 179.7° |
| CAU | NAW | CAY | H3 | 178.1° | 179.7° |
| CAU | NAW | CBB | H4 | 47.7° | 5.7° |
| CAY | NAW | CAU | NAT | 2.3° | 0.5° |
| NAW | CAY | CAX | H3 | 180.0° | 179.8° |
| NAW | CAY | CAX | CAV | 1.4° | 0.2° |
| NAW | CAY | CAX | H2 | 178.5° | 179.7° |
| CAY | NAW | CBB | H4 | 130.1° | 174.6° |
| CAU | NAT | CAV | H1 | 180.0° | 179.9° |
| CAU | NAT | CAV | CAX | 1.8° | 0.1° |
| CAU | NAT | CAV | OBA | 178.7° | 180.0° |
| CAY | CAX | CAV | NAT | 1.4° | 0.1° |
| CAY | CAX | CAV | H2 | 180.0° | 179.9° |
| CAY | CAX | CAV | OBA | 179.1° | 180.0° |
| NAT | CAV | CAX | OBA | 179.5° | 179.9° |
| NAT | CAV | CAX | H2 | 178.6° | 180.0° |
| CAX | CAV | NAT | H1 | 178.2° | 180.0° |
| CAV | CAX | CAY | H3 | 178.6° | 180.0° |
| OBA | CAV | NAT | H1 | 1.3° | 0.1° |
| OBA | CAV | CAX | H2 | 0.9° | 0.1° |
| H2 | CAX | CAY | H3 | 1.5° | 0.1° |
| H4 | CBB | CBD | H5 | 96.7° | 146.4° |
| H5 | CBD | OBG | H6 | 55.8° | 61.2° |
| H5 | CBD | CBC | H7 | 36.2° | 0.0° |
| H7 | CBC | OBH | H8 | 57.4° | 61.2° |
| H7 | CBC | CBF | H9 | 161.6° | 146.4° |
| H9 | CBF | CAA | H10 | 92.0° | 67.3° |
| H9 | CBF | CAA | H11 | 26.9° | 172.7° |
| H10 | CAA | NAB | H12 | 60.8° | 120.1° |
| H11 | CAA | NAB | H12 | 179.7° | 120.0° |
| H13 | CA | N | H14 | 65.0° | 60.0° |
| H13 | CA | N | H15 | 55.0° | 176.1° |
| H13 | CA | CB | H17 | 64.5° | 59.9° |
| H13 | CA | CB | H18 | 175.6° | 180.0° |
| H13 | CA | CB | H19 | 55.5° | 60.0° |
| H17 | CB | H18 | H19 | 120.0° | 120.1° |
