1RY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | PAZ | doub | 1.48Å | 1.50Å | |
| FAJ | CAU | sing | 1.35Å | 1.34Å | |
| OAF | PAZ | sing | 1.61Å | 1.50Å | |
| OAH | PBA | doub | 1.48Å | 1.51Å | |
| PAZ | OAC | sing | 1.61Å | 1.51Å | |
| PAZ | OAQ | sing | 1.61Å | 1.61Å | |
| NAA | CAT | sing | 1.38Å | 1.35Å | |
| OAD | PBA | sing | 1.61Å | 1.51Å | |
| CAU | CAT | sing | 1.41Å | 1.38Å | |
| CAU | CAK | doub | 1.36Å | 1.39Å | |
| PBA | OAR | sing | 1.61Å | 1.61Å | |
| PBA | OAO | sing | 1.61Å | 1.61Å | |
| OAR | PBB | sing | 1.61Å | 1.61Å | |
| OAQ | PBB | sing | 1.61Å | 1.61Å | |
| CAT | NAN | doub | 1.33Å | 1.35Å | |
| CAK | NAY | sing | 1.36Å | 1.34Å | |
| PBB | OAE | doub | 1.48Å | 1.50Å | |
| PBB | OAI | sing | 1.61Å | 1.50Å | |
| OAO | CAL | sing | 1.43Å | 1.42Å | |
| NAN | CAV | sing | 1.33Å | 1.33Å | |
| NAY | CAV | sing | 1.35Å | 1.34Å | |
| NAY | CAX | sing | 1.47Å | 1.45Å | |
| CAV | OAB | doub | 1.22Å | 1.34Å | |
| SAS | CAM | sing | 1.84Å | 1.75Å | |
| SAS | CAW | sing | 1.84Å | 1.77Å | |
| CAL | CAW | sing | 1.53Å | 1.53Å | |
| CAM | CAX | sing | 1.55Å | 1.52Å | |
| CAX | OAP | sing | 1.42Å | 1.41Å | |
| OAP | CAW | sing | 1.44Å | 1.43Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| OAF | H2 | sing | 0.97Å | 0.95Å | |
| OAI | H3 | sing | 0.97Å | 0.95Å | |
| OAD | H4 | sing | 0.97Å | 0.95Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAW | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| NAA | H12 | sing | 0.97Å | 1.00Å | |
| NAA | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | PAZ | OAF | 112.2° | 109.5° |
| OAG | PAZ | OAC | 115.0° | 109.5° |
| OAG | PAZ | OAQ | 106.0° | 109.4° |
| FAJ | CAU | CAT | 120.0° | 120.6° |
| FAJ | CAU | CAK | 120.8° | 120.5° |
| OAF | PAZ | OAC | 112.0° | 109.5° |
| OAF | PAZ | OAQ | 107.0° | 109.5° |
| PAZ | OAF | H2 | 109.5° | 114.0° |
| OAH | PBA | OAD | 120.4° | 109.5° |
| OAH | PBA | OAR | 106.0° | 109.4° |
| OAH | PBA | OAO | 106.8° | 109.4° |
| OAC | PAZ | OAQ | 103.9° | 109.5° |
| PAZ | OAC | H1 | 109.5° | 114.0° |
| PAZ | OAQ | PBB | 124.5° | 134.0° |
| NAA | CAT | CAU | 120.1° | 120.2° |
| NAA | CAT | NAN | 120.5° | 120.2° |
| CAT | NAA | H12 | 120.0° | 120.0° |
| CAT | NAA | H13 | 120.0° | 120.0° |
| OAD | PBA | OAR | 107.5° | 109.5° |
| OAD | PBA | OAO | 114.0° | 109.5° |
| PBA | OAD | H4 | 109.5° | 114.0° |
| CAT | CAU | CAK | 119.2° | 118.9° |
| CAU | CAT | NAN | 119.4° | 119.6° |
| CAU | CAK | NAY | 119.4° | 119.2° |
| CAU | CAK | H11 | 120.3° | 120.4° |
| OAR | PBA | OAO | 99.9° | 109.5° |
| PBA | OAR | PBB | 126.7° | 134.0° |
| PBA | OAO | CAL | 124.7° | 123.0° |
| OAR | PBB | OAQ | 103.5° | 109.4° |
| OAR | PBB | OAE | 111.4° | 109.5° |
| OAR | PBB | OAI | 104.4° | 109.5° |
| OAQ | PBB | OAE | 110.9° | 109.5° |
| OAQ | PBB | OAI | 105.1° | 109.5° |
| CAT | NAN | CAV | 119.8° | 120.8° |
| CAK | NAY | CAV | 119.8° | 120.3° |
| CAK | NAY | CAX | 120.5° | 119.8° |
| NAY | CAK | H11 | 120.3° | 120.4° |
| OAE | PBB | OAI | 120.1° | 109.5° |
| PBB | OAI | H3 | 109.5° | 114.0° |
| OAO | CAL | CAW | 108.1° | 109.5° |
| OAO | CAL | H5 | 109.8° | 109.5° |
| OAO | CAL | H6 | 109.8° | 109.5° |
| NAN | CAV | NAY | 122.4° | 121.1° |
| NAN | CAV | OAB | 117.2° | 119.5° |
| CAV | NAY | CAX | 119.7° | 119.8° |
| NAY | CAV | OAB | 120.4° | 119.4° |
| NAY | CAX | CAM | 108.9° | 108.7° |
| NAY | CAX | OAP | 110.6° | 108.6° |
| NAY | CAX | H10 | 109.2° | 108.5° |
| CAM | SAS | CAW | 89.8° | 93.4° |
| SAS | CAM | CAX | 108.0° | 100.7° |
| SAS | CAM | H8 | 109.8° | 111.1° |
| SAS | CAM | H9 | 109.8° | 111.2° |
| SAS | CAW | CAL | 110.7° | 110.8° |
| SAS | CAW | OAP | 108.3° | 102.7° |
| SAS | CAW | H7 | 107.2° | 110.8° |
| CAL | CAW | OAP | 109.2° | 110.8° |
| CAW | CAL | H5 | 109.8° | 109.4° |
| CAW | CAL | H6 | 109.8° | 109.4° |
| CAL | CAW | H7 | 110.0° | 110.7° |
| CAM | CAX | OAP | 110.1° | 113.3° |
| CAX | CAM | H8 | 109.8° | 111.0° |
| CAX | CAM | H9 | 109.8° | 111.3° |
| CAM | CAX | H10 | 108.3° | 108.7° |
| CAX | OAP | CAW | 112.3° | 116.7° |
| OAP | CAX | H10 | 109.8° | 108.9° |
| OAP | CAW | H7 | 111.5° | 110.8° |
| H5 | CAL | H6 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.5° | 111.1° |
| H12 | NAA | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | PAZ | OAF | OAC | 131.0° | 120.1° |
| OAG | PAZ | OAF | OAQ | 115.8° | 119.9° |
| OAG | PAZ | OAC | OAQ | 115.4° | 119.9° |
| OAG | PAZ | OAQ | PBB | 127.5° | 45.0° |
| OAG | PAZ | OAC | H1 | 0.0° | 180.0° |
| OAG | PAZ | OAF | H2 | 0.0° | 60.0° |
| FAJ | CAU | CAT | NAA | 0.4° | 0.1° |
| FAJ | CAU | CAT | CAK | 179.5° | 179.9° |
| FAJ | CAU | CAT | NAN | 179.7° | 179.7° |
| FAJ | CAU | CAK | NAY | 178.8° | 180.0° |
| FAJ | CAU | CAK | H11 | 1.2° | 0.1° |
| OAF | PAZ | OAC | OAQ | 115.1° | 120.0° |
| OAF | PAZ | OAQ | PBB | 7.6° | 165.0° |
| OAF | PAZ | OAC | H1 | 129.5° | 59.9° |
| OAH | PBA | OAD | OAR | 121.4° | 120.0° |
| OAH | PBA | OAD | OAO | 128.9° | 120.0° |
| OAH | PBA | OAR | OAO | 110.8° | 120.0° |
| OAH | PBA | OAR | PBB | 175.6° | 45.1° |
| OAH | PBA | OAO | CAL | 158.3° | 55.0° |
| OAH | PBA | OAD | H4 | 0.0° | 180.0° |
| OAC | PAZ | OAQ | PBB | 111.0° | 75.0° |
| OAC | PAZ | OAF | H2 | 131.0° | 60.0° |
| PAZ | OAQ | PBB | OAR | 75.1° | 165.0° |
| PAZ | OAQ | PBB | OAE | 44.5° | 45.0° |
| PAZ | OAQ | PBB | OAI | 175.6° | 75.0° |
| OAQ | PAZ | OAC | H1 | 115.4° | 60.1° |
| OAQ | PAZ | OAF | H2 | 115.8° | 179.9° |
| NAA | CAT | CAU | NAN | 179.9° | 179.6° |
| NAA | CAT | CAU | CAK | 179.8° | 180.0° |
| NAA | CAT | NAN | CAV | 179.4° | 179.7° |
| CAT | NAA | H12 | H13 | 180.0° | 180.0° |
| OAD | PBA | OAR | OAO | 119.2° | 120.1° |
| OAD | PBA | OAR | PBB | 45.6° | 74.9° |
| OAD | PBA | OAO | CAL | 22.8° | 65.0° |
| CAT | CAU | CAK | NAY | 0.7° | 0.1° |
| CAU | CAT | NAN | CAV | 0.7° | 0.7° |
| CAT | CAU | CAK | H11 | 179.3° | 180.0° |
| CAU | CAT | NAA | H12 | 179.9° | 0.0° |
| CAU | CAT | NAA | H13 | 0.1° | 180.0° |
| CAK | CAU | CAT | NAN | 0.3° | 0.4° |
| CAU | CAK | NAY | H11 | 180.0° | 179.9° |
| CAU | CAK | NAY | CAV | 1.2° | 0.0° |
| CAU | CAK | NAY | CAX | 179.3° | 179.8° |
| PBA | OAR | PBB | OAQ | 138.5° | 160.0° |
| PBA | OAR | PBB | OAE | 19.3° | 40.1° |
| PBA | OAR | PBB | OAI | 111.7° | 80.0° |
| OAR | PBA | OAO | CAL | 91.5° | 175.0° |
| OAR | PBA | OAD | H4 | 121.4° | 60.1° |
| OAO | PBA | OAR | PBB | 73.6° | 165.0° |
| PBA | OAO | CAL | CAW | 145.3° | 180.0° |
| OAO | PBA | OAD | H4 | 128.9° | 60.0° |
| PBA | OAO | CAL | H5 | 94.9° | 60.0° |
| PBA | OAO | CAL | H6 | 25.6° | 60.0° |
| OAR | PBB | OAQ | OAE | 119.5° | 120.0° |
| OAR | PBB | OAQ | OAI | 109.3° | 120.0° |
| OAR | PBB | OAE | OAI | 122.4° | 120.0° |
| OAR | PBB | OAI | H3 | 125.8° | 60.0° |
| OAQ | PBB | OAE | OAI | 122.9° | 120.0° |
| OAQ | PBB | OAI | H3 | 125.6° | 60.0° |
| CAT | NAN | CAV | NAY | 0.1° | 0.6° |
| CAT | NAN | CAV | OAB | 179.8° | 179.4° |
| NAN | CAT | NAA | H12 | 0.0° | 179.6° |
| NAN | CAT | NAA | H13 | 180.0° | 0.4° |
| CAK | NAY | CAV | NAN | 0.9° | 0.3° |
| CAK | NAY | CAV | CAX | 178.1° | 179.7° |
| CAK | NAY | CAV | OAB | 179.2° | 179.8° |
| CAK | NAY | CAX | CAM | 77.4° | 120.3° |
| CAK | NAY | CAX | OAP | 43.7° | 3.5° |
| CAK | NAY | CAX | H10 | 164.6° | 121.7° |
| OAE | PBB | OAI | H3 | 0.0° | 180.0° |
| OAO | CAL | CAW | SAS | 71.2° | 56.0° |
| OAO | CAL | CAW | H5 | 119.8° | 120.0° |
| OAO | CAL | CAW | H6 | 119.8° | 120.0° |
| OAO | CAL | CAW | OAP | 47.9° | 57.4° |
| OAO | CAL | H5 | H6 | 120.7° | 120.0° |
| OAO | CAL | CAW | H7 | 170.5° | 179.3° |
| NAN | CAV | NAY | OAB | 179.9° | 179.9° |
| NAN | CAV | NAY | CAX | 178.9° | 180.0° |
| CAV | NAY | CAX | CAM | 100.6° | 60.0° |
| CAV | NAY | CAX | OAP | 138.3° | 176.3° |
| CAV | NAY | CAX | H10 | 17.3° | 58.1° |
| CAV | NAY | CAK | H11 | 178.7° | 180.0° |
| CAX | NAY | CAV | OAB | 1.2° | 0.0° |
| NAY | CAX | CAM | SAS | 104.9° | 98.7° |
| NAY | CAX | CAM | OAP | 121.4° | 120.9° |
| NAY | CAX | CAM | H10 | 118.6° | 117.9° |
| NAY | CAX | OAP | H10 | 120.5° | 118.0° |
| NAY | CAX | OAP | CAW | 127.6° | 122.7° |
| NAY | CAX | CAM | H8 | 135.3° | 143.5° |
| NAY | CAX | CAM | H9 | 14.9° | 19.2° |
| CAX | NAY | CAK | H11 | 0.7° | 0.3° |
| CAM | SAS | CAW | CAL | 151.4° | 151.0° |
| SAS | CAM | CAX | H8 | 119.8° | 117.7° |
| SAS | CAM | CAX | H9 | 119.8° | 118.0° |
| SAS | CAM | CAX | OAP | 16.5° | 22.2° |
| CAM | SAS | CAW | OAP | 31.8° | 32.7° |
| CAM | SAS | CAW | H7 | 88.6° | 85.7° |
| SAS | CAM | H8 | H9 | 120.7° | 124.4° |
| SAS | CAM | CAX | H10 | 136.5° | 143.3° |
| SAS | CAW | CAL | OAP | 119.2° | 113.3° |
| SAS | CAW | CAL | H7 | 118.3° | 123.3° |
| CAW | SAS | CAM | CAX | 27.1° | 30.9° |
| SAS | CAW | OAP | CAX | 27.7° | 24.9° |
| SAS | CAW | OAP | H7 | 117.7° | 118.4° |
| SAS | CAW | CAL | H5 | 169.0° | 176.0° |
| SAS | CAW | CAL | H6 | 48.5° | 64.1° |
| CAW | SAS | CAM | H8 | 92.6° | 86.8° |
| CAW | SAS | CAM | H9 | 146.9° | 148.9° |
| CAL | CAW | OAP | CAX | 148.3° | 143.2° |
| CAL | CAW | OAP | H7 | 121.7° | 123.3° |
| CAW | CAL | H5 | H6 | 120.6° | 119.9° |
| CAM | CAX | OAP | H10 | 119.1° | 121.1° |
| CAM | CAX | OAP | CAW | 7.3° | 1.7° |
| CAX | CAM | H8 | H9 | 120.7° | 124.5° |
| CAX | OAP | CAW | H7 | 90.0° | 93.5° |
| OAP | CAX | CAM | H8 | 103.3° | 95.6° |
| OAP | CAX | CAM | H9 | 136.3° | 140.1° |
| OAP | CAW | CAL | H5 | 71.9° | 62.7° |
| OAP | CAW | CAL | H6 | 167.7° | 177.4° |
| CAW | OAP | CAX | H10 | 111.8° | 119.4° |
| H5 | CAL | CAW | H7 | 50.7° | 60.6° |
| H6 | CAL | CAW | H7 | 69.7° | 59.3° |
| H8 | CAM | CAX | H10 | 16.8° | 25.6° |
| H9 | CAM | CAX | H10 | 103.7° | 98.7° |
