0WO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| N | CAU | sing | 1.35Å | 1.36Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | NAP | sing | 1.49Å | 1.53Å | |
| CB | SAR | sing | 1.84Å | 1.82Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CAA | CAV | sing | 1.51Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CBC | CAB | sing | 1.53Å | 1.53Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | CBC | sing | 1.53Å | 1.54Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| OAE | CAT | doub | 1.21Å | 1.28Å | |
| CAU | OAF | doub | 1.22Å | 1.25Å | |
| CAT | OAH | sing | 1.34Å | 1.32Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAJ | CAI | doub | 1.38Å | 1.44Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | CAK | doub | 1.38Å | 1.42Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAW | doub | 1.39Å | 1.43Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAW | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| OAQ | NAN | sing | 1.21Å | 1.65Å | Aromatic |
| CAX | NAN | doub | 1.31Å | 1.38Å | Aromatic |
| NAP | CBB | sing | 1.47Å | 1.48Å | |
| NAP | HNAP | sing | 1.01Å | 1.00Å | |
| CAV | OAQ | sing | 1.33Å | 1.40Å | Aromatic |
| SAR | CBC | sing | 1.84Å | 1.76Å | |
| CAT | CBB | sing | 1.51Å | 1.54Å | |
| CAU | CAY | sing | 1.47Å | 1.41Å | |
| CAV | CAY | doub | 1.37Å | 1.33Å | Aromatic |
| CAX | CAW | sing | 1.48Å | 1.37Å | |
| CAY | CAX | sing | 1.48Å | 1.41Å | Aromatic |
| CBB | CBC | sing | 1.54Å | 1.58Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 125.2° | 120.0° |
| OXT | C | CA | 116.2° | 120.0° |
| O | C | CA | 118.4° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| C | CA | N | 111.3° | 109.5° |
| C | CA | CB | 103.8° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | N | CAU | 122.5° | 120.0° |
| CA | N | HN | 118.7° | 120.1° |
| N | CA | CB | 115.5° | 109.4° |
| N | CA | HA | 109.0° | 109.5° |
| CAU | N | HN | 118.8° | 119.9° |
| N | CAU | OAF | 119.3° | 120.0° |
| N | CAU | CAY | 116.7° | 120.1° |
| CB | CA | HA | 109.0° | 109.5° |
| CA | CB | NAP | 111.0° | 111.2° |
| CA | CB | SAR | 115.0° | 111.1° |
| CA | CB | HB | 109.2° | 111.0° |
| NAP | CB | SAR | 107.3° | 100.9° |
| NAP | CB | HB | 108.5° | 111.1° |
| CB | NAP | CBB | 109.3° | 110.9° |
| CB | NAP | HNAP | 109.5° | 111.0° |
| SAR | CB | HB | 105.5° | 111.2° |
| CB | SAR | CBC | 92.2° | 94.9° |
| CAV | CAA | HAA | 109.5° | 109.4° |
| CAV | CAA | HAAA | 109.5° | 109.5° |
| CAV | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAV | OAQ | 121.4° | 126.8° |
| CAA | CAV | CAY | 125.5° | 126.7° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CBC | CAB | HAB | 109.5° | 109.5° |
| CBC | CAB | HABA | 109.5° | 109.4° |
| CBC | CAB | HABB | 109.5° | 109.5° |
| CAB | CBC | CAC | 113.6° | 110.5° |
| CAB | CBC | SAR | 106.6° | 110.7° |
| CAB | CBC | CBB | 108.6° | 110.8° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| CBC | CAC | HAC | 109.5° | 109.5° |
| CBC | CAC | HACA | 109.4° | 109.5° |
| CBC | CAC | HACB | 109.5° | 109.5° |
| CAC | CBC | SAR | 110.7° | 110.6° |
| CAC | CBC | CBB | 114.8° | 110.6° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| OAE | CAT | OAH | 122.4° | 120.0° |
| OAE | CAT | CBB | 124.1° | 120.0° |
| OAF | CAU | CAY | 123.7° | 120.0° |
| CAT | OAH | HOAH | 109.5° | 116.9° |
| OAH | CAT | CBB | 113.2° | 120.0° |
| CAJ | CAI | CAK | 120.8° | 120.2° |
| CAJ | CAI | HAI | 119.6° | 119.9° |
| CAI | CAJ | CAL | 118.9° | 120.1° |
| CAI | CAJ | HAJ | 120.5° | 120.0° |
| CAK | CAI | HAI | 119.6° | 119.9° |
| CAI | CAK | CAM | 119.0° | 120.2° |
| CAI | CAK | HAK | 120.5° | 119.9° |
| CAL | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | CAL | CAW | 121.2° | 119.9° |
| CAJ | CAL | HAL | 119.4° | 120.0° |
| CAM | CAK | HAK | 120.5° | 119.9° |
| CAK | CAM | CAW | 121.3° | 119.9° |
| CAK | CAM | HAM | 119.3° | 120.1° |
| CAW | CAL | HAL | 119.4° | 120.1° |
| CAL | CAW | CAM | 118.7° | 119.7° |
| CAL | CAW | CAX | 122.3° | 120.2° |
| CAW | CAM | HAM | 119.3° | 120.1° |
| CAM | CAW | CAX | 119.0° | 120.1° |
| OAQ | NAN | CAX | 105.2° | 112.1° |
| NAN | OAQ | CAV | 100.7° | 113.4° |
| NAN | CAX | CAW | 123.0° | 127.4° |
| NAN | CAX | CAY | 108.7° | 105.1° |
| CBB | NAP | HNAP | 109.5° | 111.0° |
| NAP | CBB | CAT | 107.1° | 108.8° |
| NAP | CBB | CBC | 109.4° | 112.9° |
| NAP | CBB | HBB | 110.3° | 108.8° |
| OAQ | CAV | CAY | 113.1° | 106.5° |
| SAR | CBC | CBB | 101.6° | 103.5° |
| CAT | CBB | CBC | 111.6° | 108.8° |
| CAT | CBB | HBB | 109.5° | 108.8° |
| CAU | CAY | CAV | 120.8° | 128.6° |
| CAU | CAY | CAX | 127.1° | 128.5° |
| CAV | CAY | CAX | 112.1° | 102.9° |
| CAW | CAX | CAY | 127.8° | 127.5° |
| CBC | CBB | HBB | 108.9° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 174.5° | 179.7° |
| OXT | C | CA | N | 153.2° | 26.8° |
| OXT | C | O | HO | 0.0° | 0.3° |
| OXT | C | CA | CB | 82.0° | 93.2° |
| OXT | C | CA | HA | 33.6° | 146.8° |
| O | C | CA | N | 31.8° | 152.9° |
| O | C | CA | CB | 93.0° | 87.1° |
| O | C | CA | HA | 151.4° | 32.9° |
| C | CA | N | CB | 118.0° | 120.0° |
| C | CA | N | HA | 119.0° | 120.0° |
| C | CA | N | CAU | 138.3° | 85.0° |
| C | CA | N | HN | 41.7° | 95.0° |
| CA | C | O | HO | 174.5° | 180.0° |
| C | CA | CB | HA | 114.9° | 120.0° |
| C | CA | CB | NAP | 64.0° | 176.8° |
| C | CA | CB | SAR | 174.0° | 65.3° |
| C | CA | CB | HB | 55.6° | 59.0° |
| CA | N | CAU | HN | 180.0° | 180.0° |
| N | CA | CB | HA | 123.0° | 120.0° |
| N | CA | CB | NAP | 58.1° | 63.2° |
| N | CA | CB | SAR | 63.9° | 174.7° |
| N | CA | CB | HB | 177.7° | 61.0° |
| CA | N | CAU | OAF | 3.4° | 0.0° |
| CA | N | CAU | CAY | 171.2° | 180.0° |
| CAU | N | CA | CB | 103.7° | 155.0° |
| CAU | N | CA | HA | 19.4° | 35.0° |
| N | CAU | OAF | CAY | 174.1° | 180.0° |
| N | CAU | CAY | CAV | 58.7° | 89.9° |
| N | CAU | CAY | CAX | 123.6° | 90.0° |
| HN | N | CA | CB | 76.3° | 25.0° |
| HN | N | CA | HA | 160.7° | 145.0° |
| HN | N | CAU | OAF | 176.6° | 180.0° |
| HN | N | CAU | CAY | 8.9° | 0.0° |
| CA | CB | NAP | SAR | 126.5° | 117.9° |
| CA | CB | NAP | HB | 120.0° | 124.1° |
| CA | CB | SAR | HB | 120.4° | 124.1° |
| CA | CB | NAP | CBB | 133.4° | 160.4° |
| CA | CB | NAP | HNAP | 13.5° | 36.4° |
| CA | CB | SAR | CBC | 153.6° | 152.6° |
| HA | CA | CB | NAP | 178.8° | 56.7° |
| HA | CA | CB | SAR | 59.1° | 54.8° |
| HA | CA | CB | HB | 59.2° | 179.0° |
| NAP | CB | SAR | HB | 115.6° | 117.9° |
| CB | NAP | CBB | HNAP | 120.0° | 123.9° |
| NAP | CB | SAR | CBC | 29.6° | 34.6° |
| CB | NAP | CBB | CAT | 144.3° | 89.0° |
| CB | NAP | CBB | CBC | 23.2° | 31.9° |
| CB | NAP | CBB | HBB | 96.6° | 152.6° |
| CB | SAR | CBC | CAB | 154.1° | 137.0° |
| CB | SAR | CBC | CAC | 81.8° | 100.1° |
| SAR | CB | NAP | CBB | 7.0° | 42.5° |
| SAR | CB | NAP | HNAP | 113.0° | 81.4° |
| CB | SAR | CBC | CBB | 40.5° | 18.3° |
| HB | CB | NAP | CBB | 106.6° | 75.5° |
| HB | CB | NAP | HNAP | 133.4° | 160.6° |
| HB | CB | SAR | CBC | 86.0° | 83.3° |
| CAV | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAV | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAV | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAV | OAQ | NAN | 177.3° | 180.0° |
| CAA | CAV | OAQ | CAY | 179.7° | 180.0° |
| CAA | CAV | CAY | CAU | 1.9° | 0.1° |
| CAA | CAV | CAY | CAX | 179.9° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAV | OAQ | 0.0° | 0.0° |
| HAA | CAA | CAV | CAY | 179.6° | 179.9° |
| HAAA | CAA | CAV | OAQ | 120.0° | 120.0° |
| HAAA | CAA | CAV | CAY | 59.6° | 60.0° |
| HAAB | CAA | CAV | OAQ | 120.0° | 120.0° |
| HAAB | CAA | CAV | CAY | 60.4° | 60.1° |
| CBC | CAB | HAB | HABA | 120.0° | 120.0° |
| CBC | CAB | HAB | HABB | 120.0° | 120.1° |
| CBC | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CBC | CAC | SAR | 119.9° | 122.9° |
| CAB | CBC | CAC | CBB | 125.8° | 123.0° |
| CAB | CBC | CAC | HAC | 180.0° | 61.4° |
| CAB | CBC | CAC | HACA | 60.0° | 58.5° |
| CAB | CBC | CAC | HACB | 60.0° | 178.6° |
| CAB | CBC | CBB | NAP | 155.6° | 114.7° |
| CAB | CBC | SAR | CBB | 113.6° | 118.7° |
| CAB | CBC | CBB | CAT | 86.0° | 124.4° |
| CAB | CBC | CBB | HBB | 35.0° | 6.1° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CBC | CAC | 180.0° | 59.4° |
| HAB | CAB | CBC | SAR | 57.8° | 63.6° |
| HAB | CAB | CBC | CBB | 50.9° | 177.7° |
| HABA | CAB | CBC | CAC | 60.0° | 179.3° |
| HABA | CAB | CBC | SAR | 177.8° | 56.4° |
| HABA | CAB | CBC | CBB | 69.1° | 57.7° |
| HABB | CAB | CBC | CAC | 60.0° | 60.7° |
| HABB | CAB | CBC | SAR | 62.2° | 176.4° |
| HABB | CAB | CBC | CBB | 170.9° | 62.2° |
| CBC | CAC | HAC | HACA | 120.0° | 120.0° |
| CBC | CAC | HAC | HACB | 120.0° | 120.0° |
| CBC | CAC | HACA | HACB | 120.0° | 120.1° |
| CAC | CBC | CBB | NAP | 76.0° | 122.4° |
| CAC | CBC | SAR | CBB | 122.4° | 118.4° |
| CAC | CBC | CBB | CAT | 42.4° | 1.5° |
| CAC | CBC | CBB | HBB | 163.4° | 116.8° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CBC | SAR | 60.1° | 61.5° |
| HAC | CAC | CBC | CBB | 54.2° | 175.5° |
| HACA | CAC | CBC | SAR | 59.9° | 178.6° |
| HACA | CAC | CBC | CBB | 174.2° | 64.5° |
| HACB | CAC | CBC | SAR | 179.9° | 58.5° |
| HACB | CAC | CBC | CBB | 65.8° | 55.5° |
| OAE | CAT | OAH | CBB | 174.1° | 180.0° |
| OAE | CAT | OAH | HOAH | 0.0° | 0.0° |
| OAE | CAT | CBB | NAP | 8.9° | 18.6° |
| OAE | CAT | CBB | CBC | 110.8° | 104.8° |
| OAE | CAT | CBB | HBB | 128.5° | 137.0° |
| OAF | CAU | CAY | CAV | 115.6° | 90.1° |
| OAF | CAU | CAY | CAX | 62.2° | 90.0° |
| OAH | CAT | CBB | NAP | 165.1° | 161.4° |
| OAH | CAT | CBB | CBC | 75.2° | 75.2° |
| OAH | CAT | CBB | HBB | 45.5° | 43.0° |
| HOAH | OAH | CAT | CBB | 174.1° | 180.0° |
| CAJ | CAI | CAK | HAI | 180.0° | 179.8° |
| CAI | CAJ | CAL | HAJ | 180.0° | 180.0° |
| CAJ | CAI | CAK | CAM | 2.2° | 0.3° |
| CAJ | CAI | CAK | HAK | 177.8° | 179.7° |
| CAI | CAJ | CAL | CAW | 0.4° | 0.0° |
| CAI | CAJ | CAL | HAL | 179.6° | 179.9° |
| CAK | CAI | CAJ | CAL | 2.0° | 0.0° |
| CAK | CAI | CAJ | HAJ | 178.0° | 180.0° |
| CAI | CAK | CAM | HAK | 180.0° | 179.9° |
| CAI | CAK | CAM | CAW | 0.8° | 0.5° |
| CAI | CAK | CAM | HAM | 179.2° | 180.0° |
| HAI | CAI | CAJ | CAL | 178.1° | 179.8° |
| HAI | CAI | CAJ | HAJ | 1.9° | 0.3° |
| HAI | CAI | CAK | CAM | 177.8° | 180.0° |
| HAI | CAI | CAK | HAK | 2.2° | 0.1° |
| CAJ | CAL | CAW | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAW | CAM | 1.0° | 0.2° |
| CAJ | CAL | CAW | CAX | 175.1° | 180.0° |
| HAJ | CAJ | CAL | CAW | 179.6° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.4° | 0.0° |
| CAK | CAM | CAW | CAL | 0.7° | 0.5° |
| CAK | CAM | CAW | HAM | 180.0° | 179.5° |
| CAK | CAM | CAW | CAX | 175.4° | 179.8° |
| HAK | CAK | CAM | CAW | 179.2° | 179.5° |
| HAK | CAK | CAM | HAM | 0.8° | 0.1° |
| CAL | CAW | CAM | CAX | 176.2° | 179.7° |
| CAL | CAW | CAM | HAM | 179.3° | 180.0° |
| CAL | CAW | CAX | NAN | 146.7° | 35.0° |
| CAL | CAW | CAX | CAY | 24.0° | 144.9° |
| HAL | CAL | CAW | CAM | 179.0° | 179.7° |
| HAL | CAL | CAW | CAX | 4.9° | 0.0° |
| CAM | CAW | CAX | NAN | 29.3° | 144.7° |
| CAM | CAW | CAX | CAY | 160.0° | 35.4° |
| HAM | CAM | CAW | CAX | 4.6° | 0.2° |
| NAN | OAQ | CAV | CAY | 3.0° | 0.0° |
| OAQ | NAN | CAX | CAW | 177.1° | 180.0° |
| OAQ | NAN | CAX | CAY | 4.8° | 0.0° |
| CAX | NAN | OAQ | CAV | 4.8° | 0.0° |
| NAN | CAX | CAY | CAU | 178.8° | 179.9° |
| NAN | CAX | CAY | CAV | 3.3° | 0.0° |
| NAN | CAX | CAW | CAY | 170.7° | 179.9° |
| NAP | CBB | CBC | SAR | 43.5° | 3.9° |
| NAP | CBB | CAT | CBC | 119.7° | 123.4° |
| NAP | CBB | CAT | HBB | 119.6° | 118.4° |
| NAP | CBB | CBC | HBB | 120.6° | 120.8° |
| HNAP | NAP | CBB | CAT | 95.8° | 147.1° |
| HNAP | NAP | CBB | CBC | 143.1° | 92.0° |
| HNAP | NAP | CBB | HBB | 23.4° | 28.7° |
| OAQ | CAV | CAY | CAU | 177.8° | 179.9° |
| OAQ | CAV | CAY | CAX | 0.3° | 0.0° |
| SAR | CBC | CBB | CAT | 161.9° | 117.0° |
| SAR | CBC | CBB | HBB | 77.1° | 124.7° |
| CAT | CBB | CBC | HBB | 121.0° | 118.3° |
| CAU | CAY | CAV | CAX | 178.1° | 179.9° |
| CAU | CAY | CAX | CAW | 7.0° | 0.1° |
| CAV | CAY | CAX | CAW | 175.1° | 180.0° |
