8DR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.57Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| CAY | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.56Å | |
| CD | NE | sing | 1.47Å | 1.49Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.35Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NH2 | CZ | doub | 1.30Å | 1.32Å | |
| CZ | NH1 | sing | 1.37Å | 1.32Å | |
| OAD | CAY | doub | 1.22Å | 1.25Å | |
| SBF | OAE | doub | 1.42Å | 1.49Å | |
| OAF | SBF | doub | 1.42Å | 1.49Å | |
| CAH | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAL | doub | 1.35Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| SAV | CAI | sing | 1.71Å | 1.71Å | Aromatic |
| CAI | CAK | doub | 1.34Å | 1.34Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CBA | doub | 1.35Å | 1.38Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAZ | sing | 1.38Å | 1.34Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CBC | sing | 1.42Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBC | NAP | doub | 1.32Å | 1.33Å | Aromatic |
| NAP | SAU | sing | 1.56Å | 1.66Å | Aromatic |
| CBD | NAQ | doub | 1.32Å | 1.33Å | Aromatic |
| NAQ | SAU | sing | 1.56Å | 1.58Å | Aromatic |
| CAZ | NAT | sing | 1.39Å | 1.31Å | |
| NAT | SBF | sing | 1.66Å | 1.62Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| SAV | CBB | sing | 1.76Å | 1.69Å | Aromatic |
| CBB | CAY | sing | 1.41Å | 1.53Å | |
| CBB | CAZ | doub | 1.38Å | 1.37Å | Aromatic |
| CBA | SBF | sing | 1.76Å | 1.70Å | |
| CBA | CBD | sing | 1.42Å | 1.36Å | Aromatic |
| CBC | CBD | sing | 1.46Å | 1.41Å | Aromatic |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NH1 | HNHA | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 115.4° | 119.9° |
| CA | C | OXT | 118.1° | 120.0° |
| C | CA | N | 108.0° | 109.5° |
| C | CA | CB | 113.0° | 109.5° |
| C | CA | HA | 109.1° | 109.4° |
| O | C | OXT | 126.5° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CAY | N | CA | 117.5° | 120.0° |
| CAY | N | HN | 121.3° | 120.0° |
| N | CAY | OAD | 122.9° | 120.0° |
| N | CAY | CBB | 116.8° | 120.0° |
| CA | N | HN | 121.3° | 120.0° |
| N | CA | CB | 112.2° | 109.5° |
| N | CA | HA | 109.9° | 109.4° |
| CB | CA | HA | 104.6° | 109.5° |
| CA | CB | CG | 110.4° | 109.5° |
| CA | CB | HB | 109.2° | 109.5° |
| CA | CB | HBA | 109.1° | 109.5° |
| CG | CB | HB | 109.2° | 109.4° |
| CG | CB | HBA | 109.2° | 109.5° |
| CB | CG | CD | 114.9° | 109.5° |
| CB | CG | HG | 107.7° | 109.4° |
| CB | CG | HGA | 107.7° | 109.5° |
| HB | CB | HBA | 109.8° | 109.5° |
| CG | CD | NE | 108.9° | 109.5° |
| CG | CD | HD | 109.7° | 109.5° |
| CG | CD | HDA | 109.7° | 109.5° |
| CD | CG | HG | 107.7° | 109.5° |
| CD | CG | HGA | 107.7° | 109.5° |
| NE | CD | HD | 109.6° | 109.5° |
| NE | CD | HDA | 109.6° | 109.5° |
| CD | NE | CZ | 124.0° | 120.0° |
| CD | NE | HNE | 118.0° | 120.0° |
| HD | CD | HDA | 109.3° | 109.4° |
| CZ | NE | HNE | 118.0° | 120.0° |
| NE | CZ | NH2 | 122.6° | 120.0° |
| NE | CZ | NH1 | 120.8° | 120.0° |
| HG | CG | HGA | 111.2° | 109.5° |
| NH2 | CZ | NH1 | 116.6° | 120.0° |
| CZ | NH2 | HNH2 | 112.0° | 120.0° |
| CZ | NH1 | HNH1 | 120.0° | 120.0° |
| CZ | NH1 | HNHA | 120.0° | 120.0° |
| OAD | CAY | CBB | 120.3° | 120.0° |
| OAE | SBF | OAF | 109.4° | 123.2° |
| OAE | SBF | NAT | 108.4° | 106.4° |
| OAE | SBF | CBA | 108.2° | 106.4° |
| OAF | SBF | NAT | 111.8° | 106.4° |
| OAF | SBF | CBA | 107.0° | 106.4° |
| CAJ | CAH | CAL | 119.1° | 121.6° |
| CAJ | CAH | HAH | 120.5° | 119.2° |
| CAH | CAJ | CBA | 119.7° | 121.6° |
| CAH | CAJ | HAJ | 120.2° | 119.2° |
| CAL | CAH | HAH | 120.5° | 119.2° |
| CAH | CAL | CBC | 120.7° | 119.9° |
| CAH | CAL | HAL | 119.7° | 120.1° |
| SAV | CAI | CAK | 111.6° | 111.2° |
| SAV | CAI | HAI | 124.2° | 124.4° |
| CAI | SAV | CBB | 90.7° | 91.7° |
| CAK | CAI | HAI | 124.2° | 124.4° |
| CAI | CAK | CAZ | 113.7° | 115.1° |
| CAI | CAK | HAK | 123.2° | 122.4° |
| CBA | CAJ | HAJ | 120.2° | 119.2° |
| CAJ | CBA | SBF | 122.3° | 120.1° |
| CAJ | CBA | CBD | 121.9° | 119.9° |
| CAZ | CAK | HAK | 123.2° | 122.5° |
| CAK | CAZ | NAT | 123.3° | 123.5° |
| CAK | CAZ | CBB | 112.9° | 113.0° |
| CBC | CAL | HAL | 119.6° | 120.0° |
| CAL | CBC | NAP | 128.4° | 131.0° |
| CAL | CBC | CBD | 118.9° | 118.5° |
| CBC | NAP | SAU | 105.1° | 109.4° |
| NAP | CBC | CBD | 112.6° | 110.5° |
| NAP | SAU | NAQ | 100.8° | 100.2° |
| CBD | NAQ | SAU | 105.6° | 109.4° |
| NAQ | CBD | CBA | 124.4° | 131.0° |
| NAQ | CBD | CBC | 115.9° | 110.5° |
| CAZ | NAT | SBF | 119.4° | 120.0° |
| CAZ | NAT | HNAT | 106.3° | 120.0° |
| NAT | CAZ | CBB | 123.8° | 123.5° |
| SBF | NAT | HNAT | 106.3° | 120.0° |
| NAT | SBF | CBA | 112.0° | 107.2° |
| SAV | CBB | CAY | 122.8° | 125.5° |
| SAV | CBB | CAZ | 111.0° | 109.0° |
| CAY | CBB | CAZ | 126.2° | 125.5° |
| SBF | CBA | CBD | 115.8° | 120.1° |
| CBA | CBD | CBC | 119.7° | 118.5° |
| HNH1 | NH1 | HNHA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 178.3° | 179.7° |
| C | CA | N | CAY | 133.9° | 85.0° |
| C | CA | N | CB | 125.2° | 120.0° |
| C | CA | N | HA | 118.9° | 120.0° |
| C | CA | N | HN | 46.2° | 95.1° |
| C | CA | CB | HA | 118.5° | 119.9° |
| C | CA | CB | CG | 62.9° | 175.0° |
| C | CA | CB | HB | 177.1° | 65.1° |
| C | CA | CB | HBA | 57.1° | 55.0° |
| CA | C | OXT | HOXT | 178.2° | 179.7° |
| O | C | CA | N | 129.2° | 0.3° |
| O | C | CA | CB | 106.1° | 119.8° |
| O | C | CA | HA | 9.8° | 120.3° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| OXT | C | CA | N | 49.2° | 180.0° |
| OXT | C | CA | CB | 75.5° | 60.0° |
| OXT | C | CA | HA | 168.7° | 60.0° |
| CAY | N | CA | HN | 180.0° | 180.0° |
| CAY | N | CA | CB | 101.0° | 155.0° |
| CAY | N | CA | HA | 15.0° | 35.0° |
| N | CAY | OAD | CBB | 179.8° | 179.9° |
| N | CAY | CBB | SAV | 178.2° | 0.1° |
| N | CAY | CBB | CAZ | 1.1° | 179.7° |
| N | CA | CB | HA | 119.1° | 120.0° |
| N | CA | CB | CG | 174.7° | 64.9° |
| N | CA | CB | HB | 54.7° | 55.0° |
| N | CA | CB | HBA | 65.3° | 175.0° |
| CA | N | CAY | OAD | 1.2° | 0.0° |
| CA | N | CAY | CBB | 179.0° | 180.0° |
| HN | N | CA | CB | 79.0° | 25.0° |
| HN | N | CA | HA | 165.1° | 145.0° |
| HN | N | CAY | OAD | 178.8° | 180.0° |
| HN | N | CAY | CBB | 1.0° | 0.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.1° |
| CA | CB | HB | HBA | 119.6° | 120.1° |
| CA | CB | CG | CD | 112.8° | 180.0° |
| CA | CB | CG | HG | 127.2° | 60.0° |
| CA | CB | CG | HGA | 7.2° | 60.0° |
| HA | CA | CB | CG | 55.6° | 55.1° |
| HA | CA | CB | HB | 64.4° | 175.0° |
| HA | CA | CB | HBA | 175.6° | 65.0° |
| CG | CB | HB | HBA | 119.6° | 119.9° |
| CB | CG | CD | HG | 120.0° | 119.9° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | NE | 136.9° | 180.0° |
| CB | CG | CD | HD | 103.1° | 60.0° |
| CB | CG | CD | HDA | 16.9° | 60.0° |
| CB | CG | HG | HGA | 117.8° | 120.0° |
| HB | CB | CG | CD | 7.2° | 60.0° |
| HB | CB | CG | HG | 112.8° | 180.0° |
| HB | CB | CG | HGA | 127.2° | 60.0° |
| HBA | CB | CG | CD | 127.2° | 59.9° |
| HBA | CB | CG | HG | 7.2° | 60.1° |
| HBA | CB | CG | HGA | 112.8° | 180.0° |
| CG | CD | NE | HD | 120.0° | 120.1° |
| CG | CD | NE | HDA | 120.0° | 120.0° |
| CG | CD | HD | HDA | 120.2° | 120.0° |
| CG | CD | NE | CZ | 116.2° | 180.0° |
| CG | CD | NE | HNE | 63.9° | 0.1° |
| CD | CG | HG | HGA | 117.8° | 120.1° |
| NE | CD | HD | HDA | 120.2° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 179.9° |
| NE | CD | CG | HG | 16.9° | 60.1° |
| NE | CD | CG | HGA | 103.1° | 60.0° |
| CD | NE | CZ | NH2 | 0.6° | 0.1° |
| CD | NE | CZ | NH1 | 179.4° | 180.0° |
| HD | CD | NE | CZ | 3.8° | 59.9° |
| HD | CD | NE | HNE | 176.1° | 120.0° |
| HD | CD | CG | HG | 136.9° | 60.0° |
| HD | CD | CG | HGA | 16.9° | 180.0° |
| HDA | CD | NE | CZ | 123.9° | 60.0° |
| HDA | CD | NE | HNE | 56.1° | 120.0° |
| HDA | CD | CG | HG | 103.1° | 180.0° |
| HDA | CD | CG | HGA | 136.9° | 60.0° |
| NE | CZ | NH2 | NH1 | 180.0° | 179.9° |
| NE | CZ | NH1 | HNH1 | 180.0° | 0.1° |
| NE | CZ | NH1 | HNHA | 0.0° | 180.0° |
| NE | CZ | NH2 | HNH2 | 180.0° | 180.0° |
| HNE | NE | CZ | NH2 | 179.4° | 180.0° |
| HNE | NE | CZ | NH1 | 0.6° | 0.1° |
| NH2 | CZ | NH1 | HNH1 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | HNHA | 180.0° | 0.1° |
| CZ | NH1 | HNH1 | HNHA | 180.0° | 179.9° |
| NH1 | CZ | NH2 | HNH2 | 0.0° | 0.0° |
| OAD | CAY | CBB | SAV | 2.0° | 180.0° |
| OAD | CAY | CBB | CAZ | 178.7° | 0.3° |
| OAE | SBF | OAF | NAT | 120.1° | 123.0° |
| OAE | SBF | OAF | CBA | 116.9° | 122.9° |
| OAE | SBF | CBA | CAJ | 129.5° | 1.4° |
| OAE | SBF | NAT | CAZ | 173.0° | 178.5° |
| OAE | SBF | NAT | CBA | 119.3° | 113.5° |
| OAE | SBF | NAT | HNAT | 53.0° | 1.4° |
| OAE | SBF | CBA | CBD | 49.2° | 178.6° |
| OAF | SBF | CBA | CAJ | 11.8° | 131.5° |
| OAF | SBF | NAT | CAZ | 52.3° | 48.5° |
| OAF | SBF | NAT | CBA | 120.1° | 113.5° |
| OAF | SBF | NAT | HNAT | 67.6° | 131.5° |
| OAF | SBF | CBA | CBD | 167.0° | 48.5° |
| CAJ | CAH | CAL | HAH | 180.0° | 179.7° |
| CAH | CAJ | CBA | HAJ | 180.0° | 180.0° |
| CAJ | CAH | CAL | CBC | 0.0° | 0.0° |
| CAJ | CAH | CAL | HAL | 180.0° | 180.0° |
| CAH | CAJ | CBA | SBF | 179.7° | 180.0° |
| CAH | CAJ | CBA | CBD | 0.9° | 0.0° |
| CAL | CAH | CAJ | CBA | 0.5° | 0.0° |
| CAL | CAH | CAJ | HAJ | 179.5° | 180.0° |
| CAH | CAL | CBC | HAL | 180.0° | 179.9° |
| CAH | CAL | CBC | NAP | 179.9° | 180.0° |
| CAH | CAL | CBC | CBD | 0.2° | 0.0° |
| HAH | CAH | CAJ | CBA | 179.5° | 179.7° |
| HAH | CAH | CAJ | HAJ | 0.5° | 0.3° |
| HAH | CAH | CAL | CBC | 180.0° | 179.7° |
| HAH | CAH | CAL | HAL | 0.0° | 0.3° |
| SAV | CAI | CAK | HAI | 180.0° | 179.8° |
| SAV | CAI | CAK | CAZ | 0.2° | 0.2° |
| SAV | CAI | CAK | HAK | 179.9° | 179.8° |
| CAI | SAV | CBB | CAY | 179.4° | 179.9° |
| CAI | SAV | CBB | CAZ | 0.1° | 0.2° |
| CAI | CAK | CAZ | HAK | 180.0° | 180.0° |
| CAI | CAK | CAZ | NAT | 179.7° | 180.0° |
| CAK | CAI | SAV | CBB | 0.1° | 0.0° |
| CAI | CAK | CAZ | CBB | 0.1° | 0.4° |
| HAI | CAI | CAK | CAZ | 179.8° | 180.0° |
| HAI | CAI | CAK | HAK | 0.1° | 0.0° |
| HAI | CAI | SAV | CBB | 179.8° | 179.8° |
| CAJ | CBA | CBD | NAQ | 179.7° | 179.9° |
| CAJ | CBA | SBF | NAT | 111.0° | 115.0° |
| CAJ | CBA | SBF | CBD | 178.8° | 180.0° |
| CAJ | CBA | CBD | CBC | 0.8° | 0.0° |
| HAJ | CAJ | CBA | SBF | 0.4° | 0.0° |
| HAJ | CAJ | CBA | CBD | 179.1° | 180.0° |
| CAK | CAZ | NAT | CBB | 179.6° | 179.5° |
| CAK | CAZ | NAT | SBF | 13.7° | 35.0° |
| CAK | CAZ | NAT | HNAT | 106.3° | 145.1° |
| CAK | CAZ | CBB | SAV | 0.0° | 0.4° |
| CAK | CAZ | CBB | CAY | 179.3° | 179.9° |
| HAK | CAK | CAZ | NAT | 0.3° | 0.0° |
| HAK | CAK | CAZ | CBB | 179.9° | 179.6° |
| CAL | CBC | NAP | CBD | 179.8° | 180.0° |
| CAL | CBC | NAP | SAU | 179.7° | 180.0° |
| CAL | CBC | CBD | NAQ | 179.8° | 179.9° |
| CAL | CBC | CBD | CBA | 0.2° | 0.0° |
| HAL | CAL | CBC | NAP | 0.1° | 0.0° |
| HAL | CAL | CBC | CBD | 179.9° | 180.0° |
| NAP | CBC | CBD | NAQ | 0.0° | 0.0° |
| CBC | NAP | SAU | NAQ | 0.2° | 0.1° |
| NAP | CBC | CBD | CBA | 179.6° | 180.0° |
| NAP | SAU | NAQ | CBD | 0.2° | 0.1° |
| SAU | NAP | CBC | CBD | 0.1° | 0.0° |
| NAQ | CBD | CBA | SBF | 0.9° | 0.1° |
| NAQ | CBD | CBA | CBC | 179.5° | 179.9° |
| SAU | NAQ | CBD | CBA | 179.4° | 180.0° |
| SAU | NAQ | CBD | CBC | 0.1° | 0.1° |
| CAZ | NAT | SBF | HNAT | 120.0° | 179.9° |
| NAT | CAZ | CBB | SAV | 179.6° | 180.0° |
| NAT | CAZ | CBB | CAY | 0.3° | 0.3° |
| CAZ | NAT | SBF | CBA | 67.7° | 65.0° |
| SBF | NAT | CAZ | CBB | 166.7° | 144.5° |
| NAT | SBF | CBA | CBD | 70.2° | 65.0° |
| HNAT | NAT | CAZ | CBB | 73.3° | 35.4° |
| HNAT | NAT | SBF | CBA | 172.3° | 115.0° |
| SAV | CBB | CAY | CAZ | 179.3° | 179.7° |
| SBF | CBA | CBD | CBC | 179.6° | 180.0° |
