4DB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CAR | sing | 1.53Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| NAN | CAD | sing | 1.47Å | 1.45Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| NAN | CAE | sing | 1.47Å | 1.45Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAE | HAEB | sing | 1.09Å | 1.10Å | |
| CAG | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | NAN | sing | 1.39Å | 1.36Å | |
| OAP | CAJ | doub | 1.22Å | 1.28Å | |
| NAO | CAJ | sing | 1.34Å | 1.34Å | |
| CAJ | CAL | sing | 1.47Å | 1.40Å | |
| NAO | CAK | sing | 1.35Å | 1.34Å | |
| CAK | OAQ | doub | 1.21Å | 1.28Å | |
| CAK | CAM | sing | 1.48Å | 1.39Å | |
| CAL | CAM | doub | 1.41Å | 1.38Å | Aromatic |
| CAR | NAO | sing | 1.47Å | 1.47Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.1° | 120.0° |
| O | C | OXT | 122.7° | 120.0° |
| CA | C | OXT | 115.3° | 120.0° |
| C | CA | N | 111.6° | 109.5° |
| C | CA | CB | 112.9° | 109.5° |
| C | CA | HA | 103.8° | 109.5° |
| C | OXT | HXT | 109.5° | 116.9° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 103.0° | 109.5° |
| N | CA | HA | 113.6° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 112.3° | 109.5° |
| CA | CB | CAR | 112.5° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 108.5° | 109.5° |
| CAR | CB | HB | 108.5° | 109.5° |
| CAR | CB | HBA | 108.5° | 109.4° |
| CB | CAR | NAO | 116.0° | 109.5° |
| CB | CAR | HAR | 107.3° | 109.5° |
| CB | CAR | HARA | 107.4° | 109.4° |
| HB | CB | HBA | 110.5° | 109.4° |
| NAN | CAD | HAD | 109.5° | 109.5° |
| NAN | CAD | HADA | 109.5° | 109.4° |
| NAN | CAD | HADB | 109.5° | 109.4° |
| CAD | NAN | CAE | 119.7° | 120.0° |
| CAD | NAN | CAI | 120.3° | 120.0° |
| HAD | CAD | HADA | 109.4° | 109.5° |
| HAD | CAD | HADB | 109.4° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
| NAN | CAE | HAE | 109.5° | 109.5° |
| NAN | CAE | HAEA | 109.5° | 109.5° |
| NAN | CAE | HAEB | 109.4° | 109.5° |
| CAE | NAN | CAI | 120.0° | 120.0° |
| HAE | CAE | HAEA | 109.5° | 109.5° |
| HAE | CAE | HAEB | 109.5° | 109.4° |
| HAEA | CAE | HAEB | 109.5° | 109.5° |
| CAG | CAF | CAI | 120.9° | 120.4° |
| CAG | CAF | HAF | 119.5° | 119.8° |
| CAF | CAG | CAL | 117.8° | 119.8° |
| CAF | CAG | HAG | 121.1° | 120.0° |
| CAI | CAF | HAF | 119.5° | 119.8° |
| CAF | CAI | CAH | 120.6° | 120.3° |
| CAF | CAI | NAN | 119.9° | 119.9° |
| CAL | CAG | HAG | 121.1° | 120.1° |
| CAG | CAL | CAJ | 134.1° | 134.2° |
| CAG | CAL | CAM | 121.1° | 119.9° |
| CAM | CAH | CAI | 118.0° | 119.6° |
| CAM | CAH | HAH | 121.0° | 120.2° |
| CAH | CAM | CAK | 133.7° | 134.2° |
| CAH | CAM | CAL | 121.6° | 119.9° |
| CAI | CAH | HAH | 121.0° | 120.2° |
| CAH | CAI | NAN | 119.5° | 119.8° |
| OAP | CAJ | NAO | 122.6° | 125.7° |
| OAP | CAJ | CAL | 123.5° | 125.7° |
| NAO | CAJ | CAL | 113.9° | 108.7° |
| CAJ | NAO | CAK | 102.4° | 111.1° |
| CAJ | NAO | CAR | 129.5° | 124.5° |
| CAJ | CAL | CAM | 104.8° | 105.9° |
| NAO | CAK | OAQ | 122.7° | 125.8° |
| NAO | CAK | CAM | 114.2° | 108.5° |
| CAK | NAO | CAR | 128.1° | 124.4° |
| OAQ | CAK | CAM | 123.1° | 125.8° |
| CAK | CAM | CAL | 104.7° | 105.8° |
| NAO | CAR | HAR | 107.4° | 109.5° |
| NAO | CAR | HARA | 107.3° | 109.4° |
| HAR | CAR | HARA | 111.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 164.7° | 179.7° |
| O | C | CA | N | 25.3° | 20.3° |
| O | C | CA | CB | 90.2° | 99.7° |
| O | C | CA | HA | 148.0° | 140.2° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 121.4° | 120.0° |
| C | CA | N | HA | 116.9° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HA | 117.0° | 120.0° |
| C | CA | CB | CAR | 48.0° | 175.0° |
| C | CA | CB | HB | 167.9° | 64.9° |
| C | CA | CB | HBA | 72.0° | 55.0° |
| CA | C | OXT | HXT | 164.2° | 179.8° |
| OXT | C | CA | N | 139.4° | 160.0° |
| OXT | C | CA | CB | 105.1° | 80.0° |
| OXT | C | CA | HA | 16.7° | 40.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 122.6° | 120.0° |
| N | CA | CB | CAR | 168.4° | 65.0° |
| N | CA | CB | HB | 71.6° | 55.0° |
| N | CA | CB | HBA | 48.5° | 175.0° |
| H | N | CA | CB | 58.6° | 176.0° |
| H | N | CA | HA | 63.1° | 56.0° |
| H2 | N | CA | CB | 178.6° | 60.0° |
| H2 | N | CA | HA | 56.9° | 180.0° |
| CA | CB | CAR | HB | 120.0° | 120.0° |
| CA | CB | CAR | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.8° | 120.0° |
| CA | CB | CAR | NAO | 91.5° | 180.0° |
| CA | CB | CAR | HAR | 148.5° | 60.0° |
| CA | CB | CAR | HARA | 28.5° | 60.0° |
| HA | CA | CB | CAR | 69.0° | 55.0° |
| HA | CA | CB | HB | 51.0° | 175.0° |
| HA | CA | CB | HBA | 171.0° | 65.0° |
| CAR | CB | HB | HBA | 118.8° | 119.9° |
| CB | CAR | NAO | CAJ | 83.9° | 90.0° |
| CB | CAR | NAO | CAK | 100.1° | 90.0° |
| CB | CAR | NAO | HAR | 120.0° | 120.0° |
| CB | CAR | NAO | HARA | 120.0° | 120.0° |
| CB | CAR | HAR | HARA | 117.3° | 120.0° |
| HB | CB | CAR | NAO | 28.5° | 60.0° |
| HB | CB | CAR | HAR | 91.5° | 180.0° |
| HB | CB | CAR | HARA | 148.5° | 60.0° |
| HBA | CB | CAR | NAO | 148.5° | 60.0° |
| HBA | CB | CAR | HAR | 28.5° | 60.1° |
| HBA | CB | CAR | HARA | 91.5° | 179.9° |
| NAN | CAD | HAD | HADA | 120.0° | 120.0° |
| NAN | CAD | HAD | HADB | 120.0° | 120.0° |
| NAN | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | NAN | CAE | CAI | 180.0° | 180.0° |
| CAD | NAN | CAE | HAE | 180.0° | 90.0° |
| CAD | NAN | CAE | HAEA | 60.0° | 30.0° |
| CAD | NAN | CAE | HAEB | 60.0° | 150.0° |
| CAD | NAN | CAI | CAF | 179.8° | 0.0° |
| CAD | NAN | CAI | CAH | 0.1° | 180.0° |
| HAD | CAD | HADA | HADB | 119.9° | 120.1° |
| HAD | CAD | NAN | CAE | 180.0° | 120.0° |
| HAD | CAD | NAN | CAI | 0.0° | 60.0° |
| HADA | CAD | NAN | CAE | 60.0° | 0.0° |
| HADA | CAD | NAN | CAI | 120.0° | 180.0° |
| HADB | CAD | NAN | CAE | 60.0° | 120.0° |
| HADB | CAD | NAN | CAI | 120.0° | 60.0° |
| NAN | CAE | HAE | HAEA | 120.0° | 120.0° |
| NAN | CAE | HAE | HAEB | 120.0° | 120.0° |
| NAN | CAE | HAEA | HAEB | 120.0° | 120.0° |
| CAE | NAN | CAI | CAF | 0.2° | 179.9° |
| CAE | NAN | CAI | CAH | 179.9° | 0.0° |
| HAE | CAE | HAEA | HAEB | 120.0° | 120.0° |
| HAE | CAE | NAN | CAI | 0.0° | 90.0° |
| HAEA | CAE | NAN | CAI | 120.0° | 150.0° |
| HAEB | CAE | NAN | CAI | 120.0° | 30.0° |
| CAG | CAF | CAI | HAF | 180.0° | 179.8° |
| CAF | CAG | CAL | HAG | 180.0° | 179.9° |
| CAG | CAF | CAI | CAH | 0.1° | 0.2° |
| CAG | CAF | CAI | NAN | 179.9° | 179.8° |
| CAF | CAG | CAL | CAJ | 179.8° | 180.0° |
| CAF | CAG | CAL | CAM | 0.1° | 0.1° |
| CAI | CAF | CAG | CAL | 0.1° | 0.1° |
| CAI | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAI | CAH | CAM | 0.1° | 0.5° |
| CAF | CAI | CAH | NAN | 179.7° | 179.9° |
| CAF | CAI | CAH | HAH | 179.9° | 179.9° |
| HAF | CAF | CAG | CAL | 179.9° | 179.7° |
| HAF | CAF | CAG | HAG | 0.1° | 0.2° |
| HAF | CAF | CAI | CAH | 179.9° | 180.0° |
| HAF | CAF | CAI | NAN | 0.2° | 0.0° |
| CAG | CAL | CAM | CAH | 0.1° | 0.2° |
| CAG | CAL | CAJ | OAP | 0.1° | 0.1° |
| CAG | CAL | CAJ | NAO | 179.5° | 179.9° |
| CAG | CAL | CAJ | CAM | 180.0° | 179.9° |
| CAG | CAL | CAM | CAK | 179.7° | 180.0° |
| HAG | CAG | CAL | CAJ | 0.2° | 0.1° |
| HAG | CAG | CAL | CAM | 179.9° | 180.0° |
| CAM | CAH | CAI | HAH | 180.0° | 179.4° |
| CAM | CAH | CAI | NAN | 179.9° | 179.5° |
| CAH | CAM | CAL | CAJ | 179.9° | 179.7° |
| CAH | CAM | CAK | NAO | 179.8° | 179.6° |
| CAH | CAM | CAK | OAQ | 0.3° | 0.3° |
| CAH | CAM | CAK | CAL | 179.8° | 179.7° |
| CAI | CAH | CAM | CAK | 179.6° | 179.9° |
| CAI | CAH | CAM | CAL | 0.1° | 0.5° |
| HAH | CAH | CAI | NAN | 0.2° | 0.0° |
| HAH | CAH | CAM | CAK | 0.3° | 0.4° |
| HAH | CAH | CAM | CAL | 179.9° | 179.9° |
| OAP | CAJ | NAO | CAL | 179.6° | 180.0° |
| OAP | CAJ | NAO | CAK | 179.9° | 180.0° |
| OAP | CAJ | CAL | CAM | 179.9° | 180.0° |
| OAP | CAJ | NAO | CAR | 3.1° | 0.0° |
| CAJ | NAO | CAK | CAR | 176.9° | 180.0° |
| CAJ | NAO | CAK | OAQ | 179.6° | 180.0° |
| CAJ | NAO | CAK | CAM | 0.3° | 0.0° |
| NAO | CAJ | CAL | CAM | 0.6° | 0.0° |
| CAJ | NAO | CAR | HAR | 156.2° | 30.0° |
| CAJ | NAO | CAR | HARA | 36.2° | 150.0° |
| CAL | CAJ | NAO | CAK | 0.6° | 0.0° |
| CAJ | CAL | CAM | CAK | 0.3° | 0.0° |
| CAL | CAJ | NAO | CAR | 177.4° | 180.0° |
| NAO | CAK | OAQ | CAM | 180.0° | 180.0° |
| NAO | CAK | CAM | CAL | 0.0° | 0.0° |
| CAK | NAO | CAR | HAR | 19.9° | 150.0° |
| CAK | NAO | CAR | HARA | 139.9° | 30.0° |
| OAQ | CAK | CAM | CAL | 180.0° | 180.0° |
| OAQ | CAK | NAO | CAR | 2.7° | 0.0° |
| CAM | CAK | NAO | CAR | 177.2° | 180.0° |
| NAO | CAR | HAR | HARA | 117.3° | 120.0° |
