R57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAU | CAU | sing | 1.35Å | 1.35Å | |
| OBA | CAB | doub | 1.21Å | 1.25Å | |
| OAA | CAB | sing | 1.35Å | 1.26Å | |
| CAB | CAC | sing | 1.48Å | 1.50Å | |
| CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| OAW | CAV | sing | 1.36Å | 1.37Å | |
| OAW | CAX | sing | 1.43Å | 1.43Å | |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | NAD | doub | 1.32Å | 1.35Å | Aromatic |
| CAC | CAP | sing | 1.41Å | 1.38Å | Aromatic |
| CAV | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| NAD | CAE | sing | 1.33Å | 1.34Å | Aromatic |
| NAQ | CAP | sing | 1.38Å | 1.36Å | |
| NAQ | CAR | sing | 1.47Å | 1.45Å | |
| CAP | NAO | doub | 1.32Å | 1.36Å | Aromatic |
| CAS | CAR | sing | 1.51Å | 1.52Å | |
| CAS | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.41Å | 1.39Å | Aromatic |
| CAE | CAN | sing | 1.47Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.36Å | 1.39Å | Aromatic |
| NAO | CAN | sing | 1.34Å | 1.36Å | Aromatic |
| CAN | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAH | sing | 1.36Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.51Å | 1.50Å | |
| FAL | CAI | sing | 1.40Å | 1.32Å | |
| CAI | FAK | sing | 1.40Å | 1.32Å | |
| CAI | FAJ | sing | 1.40Å | 1.32Å | |
| CAX | H1 | sing | 1.09Å | 1.10Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.08Å | 1.08Å | |
| CAZ | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| NAQ | H9 | sing | 0.97Å | 1.00Å | |
| OAA | H10 | sing | 0.97Å | 0.95Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAU | CAU | CAT | 120.6° | 120.1° |
| FAU | CAU | CAV | 119.1° | 120.0° |
| OBA | CAB | OAA | 121.5° | 120.0° |
| OBA | CAB | CAC | 118.3° | 120.0° |
| OAA | CAB | CAC | 120.2° | 120.0° |
| CAB | OAA | H10 | 109.5° | 116.9° |
| CAB | CAC | NAD | 118.4° | 119.5° |
| CAB | CAC | CAP | 121.2° | 119.5° |
| CAT | CAU | CAV | 120.2° | 119.9° |
| CAU | CAT | CAS | 120.0° | 120.1° |
| CAU | CAT | H6 | 120.0° | 120.0° |
| CAU | CAV | OAW | 119.7° | 120.1° |
| CAU | CAV | CAY | 120.0° | 119.8° |
| CAV | OAW | CAX | 120.2° | 117.0° |
| OAW | CAV | CAY | 120.3° | 120.0° |
| OAW | CAX | H1 | 109.5° | 109.5° |
| OAW | CAX | H2 | 109.4° | 109.5° |
| OAW | CAX | H3 | 109.5° | 109.5° |
| CAT | CAS | CAR | 120.7° | 120.0° |
| CAT | CAS | CAZ | 119.5° | 120.1° |
| CAS | CAT | H6 | 120.0° | 119.9° |
| NAD | CAC | CAP | 120.4° | 121.1° |
| CAC | NAD | CAE | 120.5° | 119.6° |
| CAC | CAP | NAQ | 117.9° | 119.5° |
| CAC | CAP | NAO | 119.5° | 121.0° |
| CAV | CAY | CAZ | 120.0° | 119.9° |
| CAV | CAY | H4 | 120.0° | 120.0° |
| NAD | CAE | CAF | 118.8° | 121.7° |
| NAD | CAE | CAN | 120.0° | 119.4° |
| CAP | NAQ | CAR | 123.0° | 120.0° |
| NAQ | CAP | NAO | 122.6° | 119.5° |
| CAP | NAQ | H9 | 106.0° | 120.0° |
| NAQ | CAR | CAS | 109.8° | 109.5° |
| NAQ | CAR | H7 | 109.4° | 109.5° |
| NAQ | CAR | H8 | 109.4° | 109.4° |
| CAR | NAQ | H9 | 106.0° | 120.0° |
| CAP | NAO | CAN | 120.0° | 119.6° |
| CAR | CAS | CAZ | 119.8° | 119.9° |
| CAS | CAR | H7 | 109.4° | 109.5° |
| CAS | CAR | H8 | 109.4° | 109.5° |
| CAS | CAZ | CAY | 120.3° | 120.1° |
| CAS | CAZ | H5 | 119.9° | 120.0° |
| CAF | CAE | CAN | 121.2° | 118.8° |
| CAE | CAF | CAG | 119.7° | 119.4° |
| CAE | CAF | H11 | 120.1° | 120.3° |
| CAE | CAN | NAO | 119.5° | 119.4° |
| CAE | CAN | CAM | 118.9° | 118.8° |
| CAZ | CAY | H4 | 120.0° | 120.1° |
| CAY | CAZ | H5 | 119.8° | 119.9° |
| CAF | CAG | CAH | 119.8° | 121.7° |
| CAG | CAF | H11 | 120.2° | 120.3° |
| CAF | CAG | H12 | 120.1° | 119.1° |
| NAO | CAN | CAM | 121.6° | 121.8° |
| CAN | CAM | CAH | 119.9° | 119.6° |
| CAN | CAM | H13 | 120.0° | 120.2° |
| CAG | CAH | CAM | 120.4° | 121.6° |
| CAG | CAH | CAI | 117.8° | 119.2° |
| CAH | CAG | H12 | 120.1° | 119.2° |
| CAM | CAH | CAI | 121.8° | 119.2° |
| CAH | CAM | H13 | 120.1° | 120.3° |
| CAH | CAI | FAL | 107.8° | 109.5° |
| CAH | CAI | FAK | 110.5° | 109.4° |
| CAH | CAI | FAJ | 110.1° | 109.5° |
| FAL | CAI | FAK | 109.3° | 109.5° |
| FAL | CAI | FAJ | 108.6° | 109.5° |
| FAK | CAI | FAJ | 110.6° | 109.5° |
| H1 | CAX | H2 | 109.5° | 109.4° |
| H1 | CAX | H3 | 109.5° | 109.4° |
| H2 | CAX | H3 | 109.5° | 109.5° |
| H7 | CAR | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAU | CAU | CAT | CAV | 179.8° | 179.7° |
| FAU | CAU | CAV | OAW | 0.1° | 0.0° |
| FAU | CAU | CAT | CAS | 179.9° | 179.8° |
| FAU | CAU | CAV | CAY | 179.9° | 180.0° |
| FAU | CAU | CAT | H6 | 0.2° | 0.0° |
| OBA | CAB | OAA | CAC | 179.4° | 179.9° |
| OBA | CAB | CAC | NAD | 13.3° | 174.3° |
| OBA | CAB | CAC | CAP | 167.1° | 5.7° |
| OBA | CAB | OAA | H10 | 0.0° | 0.0° |
| OAA | CAB | CAC | NAD | 166.1° | 5.7° |
| OAA | CAB | CAC | CAP | 13.5° | 174.3° |
| CAB | CAC | NAD | CAP | 179.6° | 180.0° |
| CAB | CAC | NAD | CAE | 179.5° | 180.0° |
| CAB | CAC | CAP | NAQ | 0.5° | 0.1° |
| CAB | CAC | CAP | NAO | 179.7° | 179.7° |
| CAC | CAB | OAA | H10 | 179.4° | 180.0° |
| CAT | CAU | CAV | OAW | 179.9° | 179.7° |
| CAU | CAT | CAS | H6 | 180.0° | 179.8° |
| CAT | CAU | CAV | CAY | 0.1° | 0.3° |
| CAU | CAT | CAS | CAR | 179.8° | 180.0° |
| CAU | CAT | CAS | CAZ | 0.0° | 0.5° |
| CAU | CAV | OAW | CAY | 180.0° | 180.0° |
| CAU | CAV | OAW | CAX | 160.3° | 180.0° |
| CAV | CAU | CAT | CAS | 0.1° | 0.5° |
| CAU | CAV | CAY | CAZ | 0.1° | 0.0° |
| CAU | CAV | CAY | H4 | 179.9° | 179.9° |
| CAV | CAU | CAT | H6 | 180.0° | 179.7° |
| OAW | CAV | CAY | CAZ | 179.9° | 180.0° |
| CAV | OAW | CAX | H1 | 180.0° | 179.9° |
| CAV | OAW | CAX | H2 | 60.0° | 60.0° |
| CAV | OAW | CAX | H3 | 60.0° | 60.1° |
| OAW | CAV | CAY | H4 | 0.1° | 0.0° |
| CAX | OAW | CAV | CAY | 19.7° | 0.0° |
| OAW | CAX | H1 | H2 | 120.0° | 120.0° |
| OAW | CAX | H1 | H3 | 120.0° | 120.0° |
| OAW | CAX | H2 | H3 | 120.0° | 120.0° |
| CAT | CAS | CAR | NAQ | 53.7° | 90.0° |
| CAT | CAS | CAR | CAZ | 179.8° | 179.5° |
| CAT | CAS | CAZ | CAY | 0.2° | 0.3° |
| CAT | CAS | CAZ | H5 | 179.9° | 179.8° |
| CAT | CAS | CAR | H7 | 173.7° | 150.0° |
| CAT | CAS | CAR | H8 | 66.4° | 30.0° |
| NAD | CAC | CAP | NAQ | 179.8° | 180.0° |
| NAD | CAC | CAP | NAO | 0.0° | 0.3° |
| CAC | NAD | CAE | CAF | 180.0° | 180.0° |
| CAC | NAD | CAE | CAN | 0.3° | 0.0° |
| CAP | CAC | NAD | CAE | 0.2° | 0.0° |
| CAC | CAP | NAQ | NAO | 179.8° | 179.7° |
| CAC | CAP | NAQ | CAR | 176.1° | 174.9° |
| CAC | CAP | NAO | CAN | 0.2° | 0.5° |
| CAC | CAP | NAQ | H9 | 54.3° | 5.1° |
| CAV | CAY | CAZ | CAS | 0.2° | 0.0° |
| CAV | CAY | CAZ | H4 | 180.0° | 180.0° |
| CAV | CAY | CAZ | H5 | 179.8° | 180.0° |
| NAD | CAE | CAF | CAN | 179.7° | 180.0° |
| NAD | CAE | CAF | CAG | 179.9° | 180.0° |
| NAD | CAE | CAN | NAO | 0.1° | 0.2° |
| NAD | CAE | CAN | CAM | 179.8° | 180.0° |
| NAD | CAE | CAF | H11 | 0.1° | 0.0° |
| CAP | NAQ | CAR | H9 | 121.8° | 180.0° |
| CAP | NAQ | CAR | CAS | 179.1° | 180.0° |
| NAQ | CAP | NAO | CAN | 180.0° | 179.8° |
| CAP | NAQ | CAR | H7 | 59.1° | 60.0° |
| CAP | NAQ | CAR | H8 | 60.8° | 60.0° |
| CAR | NAQ | CAP | NAO | 4.1° | 5.4° |
| NAQ | CAR | CAS | H7 | 120.0° | 120.0° |
| NAQ | CAR | CAS | H8 | 120.1° | 120.0° |
| NAQ | CAR | CAS | CAZ | 126.5° | 90.6° |
| NAQ | CAR | H7 | H8 | 119.9° | 119.9° |
| CAP | NAO | CAN | CAE | 0.1° | 0.5° |
| CAP | NAO | CAN | CAM | 180.0° | 179.8° |
| NAO | CAP | NAQ | H9 | 126.0° | 174.6° |
| CAR | CAS | CAZ | CAY | 179.9° | 179.7° |
| CAR | CAS | CAZ | H5 | 0.1° | 0.3° |
| CAR | CAS | CAT | H6 | 0.2° | 0.2° |
| CAS | CAR | H7 | H8 | 119.8° | 120.0° |
| CAS | CAR | NAQ | H9 | 59.0° | 0.0° |
| CAS | CAZ | CAY | H5 | 180.0° | 180.0° |
| CAS | CAZ | CAY | H4 | 179.8° | 180.0° |
| CAZ | CAS | CAT | H6 | 179.9° | 179.7° |
| CAZ | CAS | CAR | H7 | 6.5° | 29.5° |
| CAZ | CAS | CAR | H8 | 113.4° | 149.5° |
| CAE | CAF | CAG | H11 | 180.0° | 180.0° |
| CAF | CAE | CAN | NAO | 179.8° | 179.7° |
| CAF | CAE | CAN | CAM | 0.1° | 0.0° |
| CAE | CAF | CAG | CAH | 0.5° | 0.1° |
| CAE | CAF | CAG | H12 | 179.5° | 180.0° |
| CAN | CAE | CAF | CAG | 0.4° | 0.0° |
| CAE | CAN | NAO | CAM | 179.9° | 179.7° |
| CAE | CAN | CAM | CAH | 0.1° | 0.0° |
| CAN | CAE | CAF | H11 | 179.6° | 180.0° |
| CAE | CAN | CAM | H13 | 179.9° | 180.0° |
| CAF | CAG | CAH | H12 | 180.0° | 179.9° |
| CAF | CAG | CAH | CAM | 0.4° | 0.1° |
| CAF | CAG | CAH | CAI | 180.0° | 180.0° |
| NAO | CAN | CAM | CAH | 180.0° | 179.7° |
| NAO | CAN | CAM | H13 | 0.0° | 0.3° |
| CAN | CAM | CAH | CAG | 0.1° | 0.0° |
| CAN | CAM | CAH | H13 | 180.0° | 180.0° |
| CAN | CAM | CAH | CAI | 179.7° | 180.0° |
| CAG | CAH | CAM | CAI | 179.6° | 179.9° |
| CAG | CAH | CAI | FAL | 36.9° | 120.0° |
| CAG | CAH | CAI | FAK | 156.2° | 0.1° |
| CAG | CAH | CAI | FAJ | 81.3° | 119.9° |
| CAH | CAG | CAF | H11 | 179.4° | 180.0° |
| CAG | CAH | CAM | H13 | 179.9° | 179.9° |
| CAM | CAH | CAI | FAL | 142.7° | 60.0° |
| CAM | CAH | CAI | FAK | 23.4° | 180.0° |
| CAM | CAH | CAI | FAJ | 99.1° | 60.0° |
| CAM | CAH | CAG | H12 | 179.6° | 180.0° |
| CAH | CAI | FAL | FAK | 120.1° | 119.9° |
| CAH | CAI | FAL | FAJ | 119.2° | 120.0° |
| CAH | CAI | FAK | FAJ | 122.1° | 120.0° |
| CAI | CAH | CAG | H12 | 0.0° | 0.1° |
| CAI | CAH | CAM | H13 | 0.3° | 0.0° |
| FAL | CAI | FAK | FAJ | 119.5° | 120.0° |
| H1 | CAX | H2 | H3 | 120.0° | 120.0° |
| H4 | CAY | CAZ | H5 | 0.2° | 0.0° |
| H7 | CAR | NAQ | H9 | 179.1° | 120.0° |
| H8 | CAR | NAQ | H9 | 61.0° | 120.0° |
| H11 | CAF | CAG | H12 | 0.6° | 0.0° |
