KJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAY | N | sing | 1.35Å | 1.39Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | NAU | sing | 1.40Å | 1.36Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| OAB | CAX | doub | 1.21Å | 1.34Å | |
| OAC | CAY | doub | 1.21Å | 1.35Å | |
| CLAE | CAZ | sing | 1.74Å | 1.71Å | |
| NAU | CAF | doub | 1.30Å | 1.31Å | |
| CAF | CBA | sing | 1.47Å | 1.52Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.46Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAN | doub | 1.38Å | 1.46Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAO | sing | 1.36Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAQ | sing | 1.36Å | 1.44Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | CAK | sing | 1.39Å | 1.45Å | Aromatic |
| CAP | CAK | doub | 1.36Å | 1.48Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAZ | sing | 1.38Å | 1.47Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBA | CAM | doub | 1.39Å | 1.48Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CBB | CAN | sing | 1.39Å | 1.43Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CBC | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CBC | CAP | sing | 1.41Å | 1.45Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | CBD | doub | 1.40Å | 1.38Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAX | CAR | sing | 1.51Å | 1.53Å | |
| CAR | CAS | sing | 1.53Å | 1.55Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | CAY | sing | 1.51Å | 1.55Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CBB | NAV | sing | 1.40Å | 1.46Å | |
| CAX | NAV | sing | 1.35Å | 1.37Å | |
| NAV | HNAV | sing | 0.97Å | 1.00Å | |
| CAZ | CBB | doub | 1.39Å | 1.46Å | Aromatic |
| CBD | CBA | sing | 1.46Å | 1.49Å | Aromatic |
| CBD | CBC | sing | 1.42Å | 1.45Å | Aromatic |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 110.2° | 120.0° |
| CA | C | OXT | 111.7° | 120.0° |
| C | CA | N | 112.7° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| C | CA | HAA | 108.4° | 109.4° |
| O | C | OXT | 138.0° | 120.1° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CAY | N | CA | 122.4° | 120.0° |
| CAY | N | NAU | 117.5° | 120.0° |
| N | CAY | OAC | 136.8° | 120.0° |
| N | CAY | CAS | 114.4° | 120.0° |
| CA | N | NAU | 115.7° | 119.9° |
| N | CA | HA | 108.4° | 109.5° |
| N | CA | HAA | 108.4° | 109.4° |
| N | NAU | CAF | 120.4° | 120.0° |
| HA | CA | HAA | 110.5° | 109.5° |
| OAB | CAX | CAR | 111.7° | 120.0° |
| OAB | CAX | NAV | 134.4° | 119.9° |
| OAC | CAY | CAS | 108.7° | 120.0° |
| CLAE | CAZ | CAL | 118.4° | 120.1° |
| CLAE | CAZ | CBB | 119.8° | 120.1° |
| NAU | CAF | CBA | 117.3° | 120.0° |
| NAU | CAF | HAF | 121.4° | 120.0° |
| CBA | CAF | HAF | 121.4° | 120.0° |
| CAF | CBA | CAM | 116.8° | 120.7° |
| CAF | CBA | CBD | 122.3° | 120.7° |
| CAL | CAG | CAH | 119.6° | 120.2° |
| CAL | CAG | HAG | 120.2° | 119.9° |
| CAG | CAL | CAZ | 119.3° | 120.0° |
| CAG | CAL | HAL | 120.4° | 120.0° |
| CAH | CAG | HAG | 120.2° | 119.9° |
| CAG | CAH | CAN | 121.2° | 120.1° |
| CAG | CAH | HAH | 119.4° | 120.0° |
| CAN | CAH | HAH | 119.4° | 119.9° |
| CAH | CAN | CBB | 119.8° | 119.9° |
| CAH | CAN | HAN | 120.1° | 120.0° |
| CAJ | CAI | CAO | 119.9° | 121.0° |
| CAJ | CAI | HAI | 120.1° | 119.5° |
| CAI | CAJ | CAQ | 120.4° | 120.9° |
| CAI | CAJ | HAJ | 119.8° | 119.5° |
| CAO | CAI | HAI | 120.0° | 119.5° |
| CAI | CAO | CBC | 119.3° | 119.7° |
| CAI | CAO | HAO | 120.4° | 120.1° |
| CAQ | CAJ | HAJ | 119.8° | 119.5° |
| CAJ | CAQ | CBD | 120.3° | 119.6° |
| CAJ | CAQ | HAQ | 119.8° | 120.2° |
| CAM | CAK | CAP | 119.9° | 121.9° |
| CAM | CAK | HAK | 120.0° | 119.1° |
| CAK | CAM | CBA | 118.4° | 120.6° |
| CAK | CAM | HAM | 120.8° | 119.7° |
| CAP | CAK | HAK | 120.1° | 119.0° |
| CAK | CAP | CBC | 121.6° | 120.7° |
| CAK | CAP | HAP | 119.2° | 119.7° |
| CAZ | CAL | HAL | 120.4° | 119.9° |
| CAL | CAZ | CBB | 121.8° | 119.9° |
| CBA | CAM | HAM | 120.8° | 119.7° |
| CAM | CBA | CBD | 120.9° | 118.6° |
| CBB | CAN | HAN | 120.1° | 120.1° |
| CAN | CBB | NAV | 119.6° | 120.0° |
| CAN | CBB | CAZ | 118.4° | 119.9° |
| CBC | CAO | HAO | 120.3° | 120.2° |
| CAO | CBC | CAP | 119.1° | 121.4° |
| CAO | CBC | CBD | 121.6° | 119.2° |
| CBC | CAP | HAP | 119.2° | 119.7° |
| CAP | CBC | CBD | 119.3° | 119.4° |
| CBD | CAQ | HAQ | 119.8° | 120.2° |
| CAQ | CBD | CBA | 121.8° | 121.5° |
| CAQ | CBD | CBC | 118.5° | 119.6° |
| CAX | CAR | CAS | 116.1° | 109.5° |
| CAX | CAR | HAR | 107.3° | 109.5° |
| CAX | CAR | HARA | 107.3° | 109.5° |
| CAR | CAX | NAV | 113.7° | 120.0° |
| CAS | CAR | HAR | 107.3° | 109.5° |
| CAS | CAR | HARA | 107.3° | 109.4° |
| CAR | CAS | CAY | 114.1° | 109.5° |
| CAR | CAS | HAS | 107.9° | 109.4° |
| CAR | CAS | HASA | 107.9° | 109.5° |
| HAR | CAR | HARA | 111.6° | 109.4° |
| CAY | CAS | HAS | 108.0° | 109.5° |
| CAY | CAS | HASA | 108.0° | 109.5° |
| HAS | CAS | HASA | 110.9° | 109.5° |
| CBB | NAV | CAX | 120.9° | 120.0° |
| CBB | NAV | HNAV | 119.6° | 120.1° |
| NAV | CBB | CAZ | 122.0° | 120.0° |
| CAX | NAV | HNAV | 119.5° | 119.9° |
| CBA | CBD | CBC | 119.8° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 176.8° | 179.6° |
| C | CA | N | CAY | 131.0° | 90.0° |
| C | CA | N | HA | 120.0° | 120.1° |
| C | CA | N | HAA | 120.0° | 119.9° |
| C | CA | N | NAU | 73.1° | 90.0° |
| C | CA | HA | HAA | 118.7° | 120.0° |
| CA | C | OXT | HOXT | 176.8° | 179.7° |
| O | C | CA | N | 33.8° | 0.4° |
| O | C | CA | HA | 153.8° | 119.7° |
| O | C | CA | HAA | 86.2° | 120.3° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| OXT | C | CA | N | 148.5° | 180.0° |
| OXT | C | CA | HA | 28.5° | 59.9° |
| OXT | C | CA | HAA | 91.5° | 60.1° |
| CAY | N | CA | NAU | 155.9° | 180.0° |
| CAY | N | CA | HA | 109.0° | 149.9° |
| CAY | N | CA | HAA | 11.0° | 29.9° |
| N | CAY | OAC | CAS | 179.4° | 180.0° |
| CAY | N | NAU | CAF | 90.9° | 175.2° |
| N | CAY | CAS | CAR | 164.6° | 180.0° |
| N | CAY | CAS | HAS | 75.4° | 60.0° |
| N | CAY | CAS | HASA | 44.6° | 60.0° |
| N | CA | HA | HAA | 118.7° | 120.0° |
| CA | N | CAY | OAC | 1.0° | 0.0° |
| CA | N | NAU | CAF | 111.9° | 4.8° |
| CA | N | CAY | CAS | 178.4° | 180.0° |
| NAU | N | CA | HA | 46.9° | 30.1° |
| NAU | N | CA | HAA | 167.0° | 150.1° |
| NAU | N | CAY | OAC | 156.5° | 180.0° |
| N | NAU | CAF | CBA | 175.5° | 174.9° |
| N | NAU | CAF | HAF | 4.5° | 5.2° |
| NAU | N | CAY | CAS | 22.9° | 0.0° |
| OAB | CAX | CAR | NAV | 175.5° | 179.9° |
| OAB | CAX | CAR | CAS | 115.0° | 0.1° |
| OAB | CAX | CAR | HAR | 125.0° | 120.0° |
| OAB | CAX | CAR | HARA | 4.9° | 120.1° |
| OAB | CAX | NAV | CBB | 23.3° | 5.4° |
| OAB | CAX | NAV | HNAV | 156.7° | 174.5° |
| OAC | CAY | CAS | CAR | 15.9° | 0.0° |
| OAC | CAY | CAS | HAS | 104.1° | 120.0° |
| OAC | CAY | CAS | HASA | 135.9° | 120.0° |
| CLAE | CAZ | CAL | CAG | 179.9° | 180.0° |
| CLAE | CAZ | CAL | CBB | 179.2° | 179.5° |
| CLAE | CAZ | CAL | HAL | 0.1° | 0.1° |
| CLAE | CAZ | CBB | CAN | 179.6° | 179.7° |
| CLAE | CAZ | CBB | NAV | 0.3° | 0.0° |
| NAU | CAF | CBA | HAF | 180.0° | 179.9° |
| NAU | CAF | CBA | CAM | 71.6° | 174.5° |
| NAU | CAF | CBA | CBD | 109.8° | 5.5° |
| CAF | CBA | CAM | CAK | 178.4° | 179.4° |
| CAF | CBA | CAM | CBD | 178.6° | 180.0° |
| CAF | CBA | CAM | HAM | 1.6° | 0.6° |
| CAF | CBA | CBD | CAQ | 1.5° | 0.0° |
| CAF | CBA | CBD | CBC | 178.3° | 179.8° |
| HAF | CAF | CBA | CAM | 108.4° | 5.6° |
| HAF | CAF | CBA | CBD | 70.2° | 174.5° |
| CAL | CAG | CAH | HAG | 180.0° | 179.7° |
| CAL | CAG | CAH | CAN | 0.3° | 0.4° |
| CAL | CAG | CAH | HAH | 179.6° | 179.8° |
| CAG | CAL | CAZ | HAL | 180.0° | 180.0° |
| CAG | CAL | CAZ | CBB | 0.7° | 0.5° |
| CAG | CAH | CAN | HAH | 180.0° | 179.9° |
| CAH | CAG | CAL | CAZ | 0.3° | 0.1° |
| CAH | CAG | CAL | HAL | 179.7° | 180.0° |
| CAG | CAH | CAN | CBB | 0.7° | 0.0° |
| CAG | CAH | CAN | HAN | 179.3° | 179.9° |
| HAG | CAG | CAH | CAN | 179.7° | 179.9° |
| HAG | CAG | CAH | HAH | 0.4° | 0.1° |
| HAG | CAG | CAL | CAZ | 179.7° | 179.8° |
| HAG | CAG | CAL | HAL | 0.3° | 0.3° |
| CAH | CAN | CBB | HAN | 180.0° | 180.0° |
| CAH | CAN | CBB | NAV | 179.9° | 179.7° |
| CAH | CAN | CBB | CAZ | 0.3° | 0.6° |
| HAH | CAH | CAN | CBB | 179.3° | 179.9° |
| HAH | CAH | CAN | HAN | 0.7° | 0.0° |
| CAJ | CAI | CAO | HAI | 180.0° | 179.8° |
| CAI | CAJ | CAQ | HAJ | 180.0° | 179.9° |
| CAJ | CAI | CAO | CBC | 0.6° | 0.3° |
| CAJ | CAI | CAO | HAO | 179.4° | 179.7° |
| CAI | CAJ | CAQ | CBD | 0.1° | 0.0° |
| CAI | CAJ | CAQ | HAQ | 179.9° | 180.0° |
| CAO | CAI | CAJ | CAQ | 0.4° | 0.0° |
| CAO | CAI | CAJ | HAJ | 179.6° | 179.9° |
| CAI | CAO | CBC | HAO | 180.0° | 180.0° |
| CAI | CAO | CBC | CAP | 179.4° | 180.0° |
| CAI | CAO | CBC | CBD | 0.5° | 0.5° |
| HAI | CAI | CAJ | CAQ | 179.6° | 179.8° |
| HAI | CAI | CAJ | HAJ | 0.4° | 0.3° |
| HAI | CAI | CAO | CBC | 179.4° | 180.0° |
| HAI | CAI | CAO | HAO | 0.5° | 0.1° |
| CAJ | CAQ | CBD | HAQ | 180.0° | 180.0° |
| CAJ | CAQ | CBD | CBA | 179.9° | 180.0° |
| CAJ | CAQ | CBD | CBC | 0.0° | 0.3° |
| HAJ | CAJ | CAQ | CBD | 179.8° | 179.9° |
| HAJ | CAJ | CAQ | HAQ | 0.2° | 0.1° |
| CAM | CAK | CAP | HAK | 180.0° | 179.0° |
| CAK | CAM | CBA | HAM | 180.0° | 180.0° |
| CAM | CAK | CAP | CBC | 0.3° | 0.9° |
| CAM | CAK | CAP | HAP | 179.7° | 179.1° |
| CAK | CAM | CBA | CBD | 0.2° | 0.6° |
| CAP | CAK | CAM | CBA | 0.0° | 1.0° |
| CAP | CAK | CAM | HAM | 180.0° | 179.0° |
| CAK | CAP | CBC | CAO | 179.7° | 180.0° |
| CAK | CAP | CBC | HAP | 180.0° | 180.0° |
| CAK | CAP | CBC | CBD | 0.4° | 0.5° |
| HAK | CAK | CAM | CBA | 180.0° | 180.0° |
| HAK | CAK | CAM | HAM | 0.0° | 0.0° |
| HAK | CAK | CAP | CBC | 179.7° | 179.9° |
| HAK | CAK | CAP | HAP | 0.3° | 0.1° |
| CAL | CAZ | CBB | CAN | 0.3° | 0.9° |
| CAL | CAZ | CBB | NAV | 179.5° | 179.4° |
| HAL | CAL | CAZ | CBB | 179.3° | 179.4° |
| CAM | CBA | CBD | CAQ | 180.0° | 180.0° |
| CAM | CBA | CBD | CBC | 0.1° | 0.3° |
| HAM | CAM | CBA | CBD | 179.8° | 179.4° |
| CAN | CBB | NAV | CAZ | 179.8° | 179.7° |
| CAN | CBB | NAV | CAX | 99.0° | 34.2° |
| CAN | CBB | NAV | HNAV | 81.0° | 145.8° |
| HAN | CAN | CBB | NAV | 0.1° | 0.2° |
| HAN | CAN | CBB | CAZ | 179.7° | 179.5° |
| CAO | CBC | CAP | CBD | 179.9° | 179.5° |
| CAO | CBC | CAP | HAP | 0.3° | 0.0° |
| CAO | CBC | CBD | CAQ | 0.2° | 0.5° |
| CAO | CBC | CBD | CBA | 179.9° | 179.7° |
| HAO | CAO | CBC | CAP | 0.6° | 0.0° |
| HAO | CAO | CBC | CBD | 179.5° | 179.5° |
| CAP | CBC | CBD | CAQ | 179.7° | 180.0° |
| CAP | CBC | CBD | CBA | 0.1° | 0.2° |
| HAP | CAP | CBC | CBD | 179.6° | 179.5° |
| CAQ | CBD | CBA | CBC | 179.8° | 179.8° |
| HAQ | CAQ | CBD | CBA | 0.1° | 0.0° |
| HAQ | CAQ | CBD | CBC | 180.0° | 179.8° |
| CAX | CAR | CAS | HAR | 120.0° | 120.0° |
| CAX | CAR | CAS | HARA | 120.0° | 120.0° |
| CAX | CAR | HAR | HARA | 117.3° | 120.0° |
| CAX | CAR | CAS | CAY | 156.5° | 180.0° |
| CAX | CAR | CAS | HAS | 36.5° | 60.0° |
| CAX | CAR | CAS | HASA | 83.5° | 60.0° |
| CAR | CAX | NAV | CBB | 162.7° | 174.4° |
| CAR | CAX | NAV | HNAV | 17.3° | 5.6° |
| CAS | CAR | HAR | HARA | 117.2° | 119.9° |
| CAR | CAS | CAY | HAS | 120.0° | 120.0° |
| CAR | CAS | CAY | HASA | 120.0° | 120.0° |
| CAR | CAS | HAS | HASA | 118.1° | 120.0° |
| CAS | CAR | CAX | NAV | 60.4° | 180.0° |
| HAR | CAR | CAS | CAY | 83.5° | 60.0° |
| HAR | CAR | CAS | HAS | 156.5° | 60.0° |
| HAR | CAR | CAS | HASA | 36.5° | NaN° |
| HAR | CAR | CAX | NAV | 59.6° | 59.9° |
| HARA | CAR | CAS | CAY | 36.5° | 60.0° |
| HARA | CAR | CAS | HAS | 83.5° | 180.0° |
| HARA | CAR | CAS | HASA | 156.5° | 60.1° |
| HARA | CAR | CAX | NAV | 179.6° | 60.0° |
| CAY | CAS | HAS | HASA | 118.1° | 120.0° |
| CBB | NAV | CAX | HNAV | 180.0° | 179.9° |
| CAX | NAV | CBB | CAZ | 81.2° | 145.5° |
| HNAV | NAV | CBB | CAZ | 98.8° | 34.5° |
