R58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBA | CAB | doub | 1.21Å | 1.24Å | |
| OAA | CAB | sing | 1.35Å | 1.25Å | |
| CAB | CAC | sing | 1.48Å | 1.52Å | |
| CAX3 | CAX | sing | 1.53Å | 1.52Å | |
| CAX | OAW | sing | 1.43Å | 1.43Å | |
| NAD | CAC | doub | 1.32Å | 1.36Å | Aromatic |
| NAD | CAE | sing | 1.33Å | 1.35Å | Aromatic |
| CAC | CAP | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.41Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.36Å | 1.39Å | Aromatic |
| CAE | CAN | sing | 1.46Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| OAW | CAV | sing | 1.36Å | 1.38Å | |
| CAP | NAQ | sing | 1.38Å | 1.36Å | |
| CAP | NAO | doub | 1.32Å | 1.35Å | Aromatic |
| CAZ | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| NAQ | CAR | sing | 1.46Å | 1.46Å | |
| CAG | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.51Å | 1.52Å | |
| CAS | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | NAO | sing | 1.34Å | 1.36Å | Aromatic |
| CAN | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAM | sing | 1.36Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.51Å | 1.51Å | |
| FAK | CAI | sing | 1.40Å | 1.31Å | |
| CAI | FAL | sing | 1.40Å | 1.31Å | |
| CAI | FAJ | sing | 1.40Å | 1.32Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| OAA | H4 | sing | 0.97Å | 0.95Å | |
| NAQ | H5 | sing | 0.97Å | 1.00Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAT | H8 | sing | 1.08Å | 1.08Å | |
| CAU | H9 | sing | 1.08Å | 1.08Å | |
| CAZ | H10 | sing | 1.08Å | 1.08Å | |
| CAY | H11 | sing | 1.08Å | 1.08Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAX | H13 | sing | 1.09Å | 1.10Å | |
| CAX3 | H14 | sing | 1.09Å | 1.10Å | |
| CAX3 | H15 | sing | 1.09Å | 1.10Å | |
| CAX3 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBA | CAB | OAA | 120.0° | 120.0° |
| OBA | CAB | CAC | 119.3° | 120.0° |
| OAA | CAB | CAC | 120.7° | 120.0° |
| CAB | OAA | H4 | 109.5° | 117.0° |
| CAB | CAC | NAD | 118.5° | 119.5° |
| CAB | CAC | CAP | 122.2° | 119.5° |
| CAX3 | CAX | OAW | 110.4° | 109.5° |
| CAX3 | CAX | H12 | 109.3° | 109.5° |
| CAX3 | CAX | H13 | 109.3° | 109.5° |
| CAX | CAX3 | H14 | 109.5° | 109.5° |
| CAX | CAX3 | H15 | 109.5° | 109.5° |
| CAX | CAX3 | H16 | 109.5° | 109.5° |
| CAX | OAW | CAV | 121.1° | 117.0° |
| OAW | CAX | H12 | 109.2° | 109.5° |
| OAW | CAX | H13 | 109.2° | 109.4° |
| CAC | NAD | CAE | 121.1° | 119.6° |
| NAD | CAC | CAP | 119.3° | 121.0° |
| NAD | CAE | CAF | 120.6° | 121.7° |
| NAD | CAE | CAN | 119.4° | 119.4° |
| CAC | CAP | NAQ | 120.9° | 119.5° |
| CAC | CAP | NAO | 119.6° | 121.0° |
| CAE | CAF | CAG | 119.9° | 119.5° |
| CAF | CAE | CAN | 120.0° | 118.8° |
| CAE | CAF | H2 | 120.0° | 120.2° |
| CAF | CAG | CAH | 120.2° | 121.7° |
| CAF | CAG | H1 | 119.9° | 119.1° |
| CAG | CAF | H2 | 120.0° | 120.3° |
| CAE | CAN | NAO | 119.9° | 119.4° |
| CAE | CAN | CAM | 120.0° | 118.9° |
| CAZ | CAY | CAV | 120.5° | 120.0° |
| CAY | CAZ | CAS | 119.9° | 120.0° |
| CAY | CAZ | H10 | 120.0° | 120.0° |
| CAZ | CAY | H11 | 119.7° | 120.0° |
| CAY | CAV | OAW | 120.5° | 120.1° |
| CAY | CAV | CAU | 119.6° | 119.9° |
| CAV | CAY | H11 | 119.8° | 120.1° |
| OAW | CAV | CAU | 119.9° | 120.0° |
| NAQ | CAP | NAO | 119.6° | 119.5° |
| CAP | NAQ | CAR | 123.8° | 120.0° |
| CAP | NAQ | H5 | 105.8° | 120.0° |
| CAP | NAO | CAN | 120.7° | 119.5° |
| CAZ | CAS | CAR | 120.1° | 119.9° |
| CAZ | CAS | CAT | 119.7° | 120.1° |
| CAS | CAZ | H10 | 120.1° | 119.9° |
| CAV | CAU | CAT | 119.9° | 119.9° |
| CAV | CAU | H9 | 120.0° | 120.1° |
| NAQ | CAR | CAS | 108.4° | 109.4° |
| CAR | NAQ | H5 | 105.8° | 120.0° |
| NAQ | CAR | H6 | 109.7° | 109.5° |
| NAQ | CAR | H7 | 109.7° | 109.5° |
| CAG | CAH | CAM | 119.7° | 121.7° |
| CAG | CAH | CAI | 119.9° | 119.1° |
| CAH | CAG | H1 | 119.9° | 119.2° |
| CAR | CAS | CAT | 120.3° | 119.9° |
| CAS | CAR | H6 | 109.7° | 109.4° |
| CAS | CAR | H7 | 109.7° | 109.5° |
| CAS | CAT | CAU | 120.5° | 120.0° |
| CAS | CAT | H8 | 119.8° | 120.0° |
| CAU | CAT | H8 | 119.8° | 120.0° |
| CAT | CAU | H9 | 120.1° | 120.0° |
| NAO | CAN | CAM | 120.1° | 121.7° |
| CAN | CAM | CAH | 120.2° | 119.5° |
| CAN | CAM | H3 | 119.9° | 120.3° |
| CAM | CAH | CAI | 120.3° | 119.2° |
| CAH | CAM | H3 | 119.9° | 120.2° |
| CAH | CAI | FAK | 108.7° | 109.5° |
| CAH | CAI | FAL | 110.5° | 109.4° |
| CAH | CAI | FAJ | 111.9° | 109.4° |
| FAK | CAI | FAL | 109.4° | 109.5° |
| FAK | CAI | FAJ | 107.9° | 109.5° |
| FAL | CAI | FAJ | 108.5° | 109.5° |
| H6 | CAR | H7 | 109.5° | 109.5° |
| H12 | CAX | H13 | 109.5° | 109.5° |
| H14 | CAX3 | H15 | 109.5° | 109.4° |
| H14 | CAX3 | H16 | 109.5° | 109.5° |
| H15 | CAX3 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBA | CAB | OAA | CAC | 179.9° | 180.0° |
| OBA | CAB | CAC | NAD | 20.2° | 174.4° |
| OBA | CAB | CAC | CAP | 160.0° | 5.6° |
| OBA | CAB | OAA | H4 | 0.0° | 0.1° |
| OAA | CAB | CAC | NAD | 159.7° | 5.6° |
| OAA | CAB | CAC | CAP | 20.1° | 174.4° |
| CAB | CAC | NAD | CAP | 179.8° | 179.9° |
| CAB | CAC | NAD | CAE | 179.9° | 180.0° |
| CAB | CAC | CAP | NAQ | 0.0° | 0.0° |
| CAB | CAC | CAP | NAO | 179.9° | 179.7° |
| CAC | CAB | OAA | H4 | 179.9° | 179.9° |
| CAX3 | CAX | OAW | H12 | 120.1° | 120.1° |
| CAX3 | CAX | OAW | H13 | 120.1° | 120.0° |
| CAX3 | CAX | OAW | CAV | 108.8° | 180.0° |
| CAX3 | CAX | H12 | H13 | 119.6° | 120.0° |
| CAX | CAX3 | H14 | H15 | 120.0° | 119.9° |
| CAX | CAX3 | H14 | H16 | 120.0° | 120.1° |
| CAX | CAX3 | H15 | H16 | 120.0° | 120.1° |
| CAX | OAW | CAV | CAY | 72.4° | 180.0° |
| CAX | OAW | CAV | CAU | 108.0° | 0.4° |
| OAW | CAX | H12 | H13 | 119.6° | 120.0° |
| OAW | CAX | CAX3 | H14 | 180.0° | 60.1° |
| OAW | CAX | CAX3 | H15 | 60.0° | 180.0° |
| OAW | CAX | CAX3 | H16 | 60.0° | 60.0° |
| CAC | NAD | CAE | CAF | 179.5° | 180.0° |
| CAC | NAD | CAE | CAN | 0.1° | 0.3° |
| NAD | CAC | CAP | NAQ | 179.8° | 180.0° |
| NAD | CAC | CAP | NAO | 0.1° | 0.3° |
| CAE | NAD | CAC | CAP | 0.1° | 0.0° |
| NAD | CAE | CAF | CAN | 179.5° | 179.7° |
| NAD | CAE | CAF | CAG | 179.9° | 180.0° |
| NAD | CAE | CAN | NAO | 0.2° | 0.3° |
| NAD | CAE | CAN | CAM | 179.9° | 179.7° |
| NAD | CAE | CAF | H2 | 0.1° | 0.0° |
| CAC | CAP | NAQ | NAO | 179.9° | 179.7° |
| CAC | CAP | NAQ | CAR | 163.7° | 174.6° |
| CAC | CAP | NAO | CAN | 0.0° | 0.3° |
| CAC | CAP | NAQ | H5 | 41.7° | 5.4° |
| CAE | CAF | CAG | H2 | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 0.4° | 0.0° |
| CAF | CAE | CAN | NAO | 179.6° | 180.0° |
| CAF | CAE | CAN | CAM | 0.6° | 0.5° |
| CAE | CAF | CAG | H1 | 179.6° | 180.0° |
| CAG | CAF | CAE | CAN | 0.6° | 0.3° |
| CAF | CAG | CAH | H1 | 180.0° | 180.0° |
| CAF | CAG | CAH | CAM | 0.2° | 0.0° |
| CAF | CAG | CAH | CAI | 179.6° | 179.7° |
| CAE | CAN | NAO | CAP | 0.1° | 0.0° |
| CAE | CAN | NAO | CAM | 179.7° | 179.4° |
| CAE | CAN | CAM | CAH | 0.4° | 0.6° |
| CAN | CAE | CAF | H2 | 179.3° | 179.7° |
| CAE | CAN | CAM | H3 | 179.6° | 179.5° |
| CAZ | CAY | CAV | H11 | 180.0° | 180.0° |
| CAZ | CAY | CAV | OAW | 179.9° | 180.0° |
| CAY | CAZ | CAS | H10 | 180.0° | 180.0° |
| CAZ | CAY | CAV | CAU | 0.3° | 0.3° |
| CAY | CAZ | CAS | CAR | 179.6° | 179.9° |
| CAY | CAZ | CAS | CAT | 0.2° | 0.3° |
| CAY | CAV | OAW | CAU | 179.6° | 179.7° |
| CAV | CAY | CAZ | CAS | 0.3° | 0.0° |
| CAY | CAV | CAU | CAT | 0.3° | 0.3° |
| CAY | CAV | CAU | H9 | 179.7° | 179.7° |
| CAV | CAY | CAZ | H10 | 179.7° | 180.0° |
| OAW | CAV | CAU | CAT | 179.9° | 179.9° |
| OAW | CAV | CAU | H9 | 0.1° | 0.1° |
| OAW | CAV | CAY | H11 | 0.1° | 0.1° |
| CAV | OAW | CAX | H12 | 131.1° | 59.9° |
| CAV | OAW | CAX | H13 | 11.3° | 60.1° |
| CAP | NAQ | CAR | H5 | 122.0° | 180.0° |
| CAP | NAQ | CAR | CAS | 169.8° | 180.0° |
| NAQ | CAP | NAO | CAN | 179.9° | 180.0° |
| CAP | NAQ | CAR | H6 | 70.4° | 60.1° |
| CAP | NAQ | CAR | H7 | 49.9° | 60.0° |
| NAO | CAP | NAQ | CAR | 16.2° | 5.1° |
| CAP | NAO | CAN | CAM | 179.8° | 179.4° |
| NAO | CAP | NAQ | H5 | 138.2° | 174.9° |
| CAZ | CAS | CAR | NAQ | 108.5° | 90.3° |
| CAZ | CAS | CAR | CAT | 179.4° | 179.7° |
| CAZ | CAS | CAT | CAU | 0.1° | 0.3° |
| CAZ | CAS | CAR | H6 | 131.7° | 149.7° |
| CAZ | CAS | CAR | H7 | 11.3° | 29.7° |
| CAZ | CAS | CAT | H8 | 179.9° | 179.7° |
| CAS | CAZ | CAY | H11 | 179.7° | 180.0° |
| CAV | CAU | CAT | CAS | 0.2° | 0.0° |
| CAV | CAU | CAT | H9 | 180.0° | 180.0° |
| CAV | CAU | CAT | H8 | 179.8° | 180.0° |
| CAU | CAV | CAY | H11 | 179.7° | 179.7° |
| NAQ | CAR | CAS | H6 | 119.8° | 120.0° |
| NAQ | CAR | CAS | H7 | 119.8° | 120.0° |
| NAQ | CAR | CAS | CAT | 70.9° | 90.0° |
| NAQ | CAR | H6 | H7 | 120.5° | 120.1° |
| CAG | CAH | CAM | CAN | 0.2° | 0.3° |
| CAG | CAH | CAM | CAI | 179.4° | 179.7° |
| CAG | CAH | CAI | FAK | 52.4° | 30.3° |
| CAG | CAH | CAI | FAL | 67.6° | 89.7° |
| CAG | CAH | CAI | FAJ | 171.5° | 150.3° |
| CAH | CAG | CAF | H2 | 179.6° | 179.9° |
| CAG | CAH | CAM | H3 | 179.8° | 179.8° |
| CAR | CAS | CAT | CAU | 179.5° | 180.0° |
| CAS | CAR | NAQ | H5 | 47.8° | 0.0° |
| CAS | CAR | H6 | H7 | 120.5° | 120.0° |
| CAR | CAS | CAT | H8 | 0.4° | 0.0° |
| CAR | CAS | CAZ | H10 | 0.4° | 0.1° |
| CAS | CAT | CAU | H8 | 180.0° | 180.0° |
| CAT | CAS | CAR | H6 | 48.9° | 29.9° |
| CAT | CAS | CAR | H7 | 169.3° | 150.0° |
| CAS | CAT | CAU | H9 | 179.8° | 180.0° |
| CAT | CAS | CAZ | H10 | 179.8° | 179.7° |
| NAO | CAN | CAM | CAH | 179.9° | 180.0° |
| NAO | CAN | CAM | H3 | 0.1° | 0.1° |
| CAN | CAM | CAH | H3 | 180.0° | 179.9° |
| CAN | CAM | CAH | CAI | 179.6° | 180.0° |
| CAM | CAH | CAI | FAK | 127.0° | 150.0° |
| CAM | CAH | CAI | FAL | 113.0° | 90.0° |
| CAM | CAH | CAI | FAJ | 7.9° | 30.0° |
| CAM | CAH | CAG | H1 | 179.8° | 180.0° |
| CAH | CAI | FAK | FAL | 120.7° | 120.0° |
| CAH | CAI | FAK | FAJ | 121.5° | 120.0° |
| CAH | CAI | FAL | FAJ | 123.0° | 120.0° |
| CAI | CAH | CAG | H1 | 0.4° | 0.3° |
| CAI | CAH | CAM | H3 | 0.4° | 0.1° |
| FAK | CAI | FAL | FAJ | 117.5° | 120.1° |
| H1 | CAG | CAF | H2 | 0.4° | 0.0° |
| H5 | NAQ | CAR | H6 | 167.6° | 119.9° |
| H5 | NAQ | CAR | H7 | 72.0° | 120.0° |
| H8 | CAT | CAU | H9 | 0.2° | 0.0° |
| H10 | CAZ | CAY | H11 | 0.3° | 0.0° |
| H12 | CAX | CAX3 | H14 | 59.9° | 60.0° |
| H12 | CAX | CAX3 | H15 | 60.1° | 60.0° |
| H12 | CAX | CAX3 | H16 | 179.9° | 180.0° |
| H13 | CAX | CAX3 | H14 | 59.9° | 180.0° |
| H13 | CAX | CAX3 | H15 | 179.9° | 60.1° |
| H13 | CAX | CAX3 | H16 | 60.1° | 60.0° |
| H14 | CAX3 | H15 | H16 | 120.0° | 120.0° |
