TJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| NAS | C | sing | 1.35Å | 1.34Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CAR | N | sing | 1.47Å | 1.47Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | CAJ | sing | 1.35Å | 1.32Å | |
| CBA | CA | sing | 1.51Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAA | CBF | sing | 1.53Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CBF | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | CBF | sing | 1.53Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAJ | OAD | doub | 1.21Å | 1.22Å | |
| CAU | OAE | doub | 1.22Å | 1.21Å | |
| CAU | OAG | sing | 1.35Å | 1.23Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAW | CLAH | sing | 1.74Å | 1.71Å | |
| CLAI | CAX | sing | 1.74Å | 1.75Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAW | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAP | sing | 1.36Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAY | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CBC | doub | 1.40Å | 1.41Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAX | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CBB | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CAY | sing | 1.51Å | 1.53Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CBF | NAS | sing | 1.46Å | 1.47Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CBB | NAT | sing | 1.37Å | 1.33Å | Aromatic |
| NAT | CAZ | sing | 1.38Å | 1.31Å | Aromatic |
| CAZ | CAU | sing | 1.47Å | 1.51Å | |
| CBA | CAZ | doub | 1.36Å | 1.38Å | Aromatic |
| CBC | CBA | sing | 1.42Å | 1.40Å | Aromatic |
| CBC | CBB | sing | 1.41Å | 1.40Å | Aromatic |
| NAT | HNAT | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | NAS | 124.4° | 120.0° |
| O | C | CA | 120.7° | 120.0° |
| NAS | C | CA | 114.4° | 120.0° |
| C | NAS | CBF | 123.7° | 120.0° |
| C | NAS | HNAS | 118.1° | 120.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | CBA | 108.8° | 109.4° |
| C | CA | HA | 110.3° | 109.5° |
| CAR | N | CA | 117.5° | 120.0° |
| CAR | N | CAJ | 119.8° | 120.0° |
| N | CAR | CAY | 116.7° | 109.4° |
| N | CAR | HAR | 107.1° | 109.5° |
| N | CAR | HARA | 107.1° | 109.4° |
| CA | N | CAJ | 122.2° | 120.0° |
| N | CA | CBA | 111.2° | 109.5° |
| N | CA | HA | 107.8° | 109.5° |
| N | CAJ | OAD | 124.1° | 120.0° |
| N | CAJ | HAJ | 118.0° | 120.0° |
| CBA | CA | HA | 109.0° | 109.4° |
| CA | CBA | CAZ | 123.5° | 126.2° |
| CA | CBA | CBC | 130.4° | 126.2° |
| CBF | CAA | HAA | 109.5° | 109.5° |
| CBF | CAA | HAAA | 109.5° | 109.5° |
| CBF | CAA | HAAB | 109.5° | 109.5° |
| CAA | CBF | CAB | 108.9° | 109.5° |
| CAA | CBF | CAC | 110.9° | 109.5° |
| CAA | CBF | NAS | 109.1° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CBF | CAB | HAB | 109.5° | 109.5° |
| CBF | CAB | HABA | 109.5° | 109.5° |
| CBF | CAB | HABB | 109.5° | 109.5° |
| CAB | CBF | CAC | 111.7° | 109.4° |
| CAB | CBF | NAS | 105.7° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CBF | CAC | HAC | 109.5° | 109.5° |
| CBF | CAC | HACA | 109.5° | 109.5° |
| CBF | CAC | HACB | 109.5° | 109.5° |
| CAC | CBF | NAS | 110.4° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.4° | 109.4° |
| HACA | CAC | HACB | 109.5° | 109.4° |
| OAD | CAJ | HAJ | 118.0° | 120.0° |
| OAE | CAU | OAG | 121.7° | 120.0° |
| OAE | CAU | CAZ | 116.6° | 120.0° |
| CAU | OAG | HOAG | 109.5° | 117.0° |
| OAG | CAU | CAZ | 121.6° | 120.0° |
| CLAH | CAW | CAK | 119.2° | 120.0° |
| CLAH | CAW | CAL | 119.1° | 120.0° |
| CLAI | CAX | CAM | 120.5° | 119.6° |
| CLAI | CAX | CAQ | 119.8° | 119.7° |
| CAN | CAK | CAW | 119.0° | 120.0° |
| CAN | CAK | HAK | 120.5° | 120.0° |
| CAK | CAN | CAY | 120.1° | 120.0° |
| CAK | CAN | HAN | 119.9° | 120.0° |
| CAW | CAK | HAK | 120.5° | 120.0° |
| CAK | CAW | CAL | 121.7° | 120.0° |
| CAW | CAL | CAO | 119.4° | 119.9° |
| CAW | CAL | HAL | 120.3° | 120.0° |
| CAO | CAL | HAL | 120.3° | 120.1° |
| CAL | CAO | CAY | 119.5° | 120.0° |
| CAL | CAO | HAO | 120.2° | 120.0° |
| CAX | CAM | CAP | 120.5° | 120.6° |
| CAX | CAM | HAM | 119.7° | 119.7° |
| CAM | CAX | CAQ | 119.7° | 120.7° |
| CAP | CAM | HAM | 119.7° | 119.7° |
| CAM | CAP | CBC | 120.0° | 119.8° |
| CAM | CAP | HAP | 120.0° | 120.1° |
| CAY | CAN | HAN | 120.0° | 120.0° |
| CAN | CAY | CAO | 120.3° | 120.0° |
| CAN | CAY | CAR | 117.6° | 120.0° |
| CAY | CAO | HAO | 120.2° | 120.0° |
| CAO | CAY | CAR | 122.1° | 120.0° |
| CBC | CAP | HAP | 120.0° | 120.0° |
| CAP | CBC | CBA | 135.4° | 133.3° |
| CAP | CBC | CBB | 119.3° | 119.7° |
| CAX | CAQ | CBB | 120.1° | 119.8° |
| CAX | CAQ | HAQ | 120.0° | 120.1° |
| CBB | CAQ | HAQ | 119.9° | 120.1° |
| CAQ | CBB | NAT | 130.6° | 133.2° |
| CAQ | CBB | CBC | 120.4° | 119.4° |
| CAY | CAR | HAR | 107.1° | 109.5° |
| CAY | CAR | HARA | 107.1° | 109.5° |
| HAR | CAR | HARA | 111.8° | 109.5° |
| CBF | NAS | HNAS | 118.1° | 120.0° |
| CBB | NAT | CAZ | 109.6° | 108.8° |
| NAT | CBB | CBC | 109.0° | 107.4° |
| CBB | NAT | HNAT | 125.2° | 125.6° |
| NAT | CAZ | CAU | 124.6° | 125.4° |
| NAT | CAZ | CBA | 110.0° | 109.2° |
| CAZ | NAT | HNAT | 125.2° | 125.6° |
| CAU | CAZ | CBA | 125.4° | 125.4° |
| CAZ | CBA | CBC | 106.1° | 107.7° |
| CBA | CBC | CBB | 105.3° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | NAS | CA | 173.0° | 179.8° |
| O | C | CA | N | 6.9° | 46.1° |
| O | C | CA | CBA | 115.0° | 73.9° |
| O | C | CA | HA | 125.6° | 166.2° |
| O | C | NAS | CBF | 1.2° | 5.6° |
| O | C | NAS | HNAS | 178.8° | 174.4° |
| NAS | C | CA | N | 179.9° | 134.1° |
| NAS | C | CA | CBA | 58.3° | 105.9° |
| NAS | C | CA | HA | 61.2° | 14.0° |
| C | NAS | CBF | CAA | 173.3° | 60.0° |
| C | NAS | CBF | CAB | 69.8° | 60.0° |
| C | NAS | CBF | CAC | 51.2° | 180.0° |
| C | NAS | CBF | HNAS | 180.0° | 180.0° |
| C | CA | N | CAR | 76.3° | 169.7° |
| C | CA | N | CBA | 120.4° | 120.0° |
| C | CA | N | HA | 120.2° | 120.1° |
| C | CA | N | CAJ | 95.3° | 10.2° |
| C | CA | CBA | HA | 120.3° | 120.0° |
| CA | C | NAS | CBF | 174.2° | 174.6° |
| CA | C | NAS | HNAS | 5.9° | 5.4° |
| C | CA | CBA | CAZ | 138.8° | 78.6° |
| C | CA | CBA | CBC | 40.0° | 101.5° |
| CAR | N | CA | CAJ | 171.6° | 179.9° |
| CAR | N | CA | CBA | 44.1° | 70.3° |
| CAR | N | CA | HA | 163.5° | 49.6° |
| CAR | N | CAJ | OAD | 172.8° | 1.8° |
| CAR | N | CAJ | HAJ | 7.2° | 178.2° |
| N | CAR | CAY | CAN | 162.4° | 90.0° |
| N | CAR | CAY | CAO | 17.1° | 90.0° |
| N | CAR | CAY | HAR | 120.0° | 120.0° |
| N | CAR | CAY | HARA | 120.0° | 119.9° |
| N | CAR | HAR | HARA | 117.0° | 120.0° |
| N | CA | CBA | HA | 118.7° | 120.0° |
| CA | N | CAJ | OAD | 1.4° | 178.1° |
| CA | N | CAJ | HAJ | 178.6° | 1.9° |
| CA | N | CAR | CAY | 97.4° | 90.1° |
| CA | N | CAR | HAR | 142.6° | 29.9° |
| CA | N | CAR | HARA | 22.6° | 150.0° |
| N | CA | CBA | CAZ | 100.2° | 41.5° |
| N | CA | CBA | CBC | 81.1° | 138.5° |
| CAJ | N | CA | CBA | 144.3° | 109.8° |
| CAJ | N | CA | HA | 24.9° | 130.3° |
| N | CAJ | OAD | HAJ | 180.0° | 180.0° |
| CAJ | N | CAR | CAY | 90.8° | 90.0° |
| CAJ | N | CAR | HAR | 29.2° | 150.0° |
| CAJ | N | CAR | HARA | 149.2° | 29.9° |
| CA | CBA | CBC | CAP | 0.1° | 0.0° |
| CA | CBA | CAZ | NAT | 178.7° | 180.0° |
| CA | CBA | CAZ | CAU | 2.1° | 0.0° |
| CA | CBA | CAZ | CBC | 179.0° | 180.0° |
| CA | CBA | CBC | CBB | 179.1° | 180.0° |
| HA | CA | CBA | CAZ | 18.5° | 161.5° |
| HA | CA | CBA | CBC | 160.2° | 18.5° |
| CBF | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBF | CAA | HAA | HAAB | 120.0° | 120.0° |
| CBF | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CBF | CAB | CAC | 122.8° | 120.0° |
| CAA | CBF | CAB | NAS | 117.0° | 120.0° |
| CAA | CBF | CAB | HAB | 180.0° | 60.0° |
| CAA | CBF | CAB | HABA | 60.0° | 180.0° |
| CAA | CBF | CAB | HABB | 60.0° | 60.0° |
| CAA | CBF | CAC | NAS | 121.0° | 120.0° |
| CAA | CBF | CAC | HAC | 180.0° | 60.0° |
| CAA | CBF | CAC | HACA | 60.0° | 180.0° |
| CAA | CBF | CAC | HACB | 60.0° | 60.0° |
| CAA | CBF | NAS | HNAS | 6.7° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAA | CAA | CBF | CAB | 180.0° | 60.0° |
| HAA | CAA | CBF | CAC | 56.7° | 180.0° |
| HAA | CAA | CBF | NAS | 65.1° | 60.0° |
| HAAA | CAA | CBF | CAB | 60.0° | 180.0° |
| HAAA | CAA | CBF | CAC | 176.7° | 60.0° |
| HAAA | CAA | CBF | NAS | 54.9° | 60.0° |
| HAAB | CAA | CBF | CAB | 60.0° | 59.9° |
| HAAB | CAA | CBF | CAC | 63.3° | 60.0° |
| HAAB | CAA | CBF | NAS | 174.9° | 180.0° |
| CBF | CAB | HAB | HABA | 120.0° | 120.0° |
| CBF | CAB | HAB | HABB | 120.0° | 120.0° |
| CBF | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CBF | CAC | NAS | 117.3° | 120.0° |
| CAB | CBF | CAC | HAC | 58.3° | 180.0° |
| CAB | CBF | CAC | HACA | 178.3° | 60.0° |
| CAB | CBF | CAC | HACB | 61.7° | 60.0° |
| CAB | CBF | NAS | HNAS | 110.2° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CBF | CAC | 57.1° | 60.0° |
| HAB | CAB | CBF | NAS | 63.0° | 180.0° |
| HABA | CAB | CBF | CAC | 62.8° | 60.0° |
| HABA | CAB | CBF | NAS | 177.0° | 60.0° |
| HABB | CAB | CBF | CAC | 177.1° | 180.0° |
| HABB | CAB | CBF | NAS | 57.0° | 60.0° |
| CBF | CAC | HAC | HACA | 120.0° | 120.1° |
| CBF | CAC | HAC | HACB | 120.0° | 120.0° |
| CBF | CAC | HACA | HACB | 120.0° | 120.1° |
| CAC | CBF | NAS | HNAS | 128.8° | 0.0° |
| HAC | CAC | HACA | HACB | 120.0° | 119.9° |
| HAC | CAC | CBF | NAS | 59.0° | 60.0° |
| HACA | CAC | CBF | NAS | 61.0° | 60.0° |
| HACB | CAC | CBF | NAS | 179.0° | 180.0° |
| OAE | CAU | OAG | CAZ | 176.5° | 180.0° |
| OAE | CAU | OAG | HOAG | 0.0° | 0.0° |
| OAE | CAU | CAZ | NAT | 48.9° | 120.1° |
| OAE | CAU | CAZ | CBA | 132.0° | 59.9° |
| OAG | CAU | CAZ | NAT | 127.8° | 59.9° |
| OAG | CAU | CAZ | CBA | 51.3° | 120.1° |
| HOAG | OAG | CAU | CAZ | 176.6° | 180.0° |
| CLAH | CAW | CAK | CAN | 178.6° | 179.7° |
| CLAH | CAW | CAK | CAL | 178.3° | 180.0° |
| CLAH | CAW | CAK | HAK | 1.4° | 0.1° |
| CLAH | CAW | CAL | CAO | 179.2° | 179.4° |
| CLAH | CAW | CAL | HAL | 0.8° | 0.0° |
| CLAI | CAX | CAM | CAQ | 179.4° | 180.0° |
| CLAI | CAX | CAM | CAP | 179.8° | 180.0° |
| CLAI | CAX | CAM | HAM | 0.2° | 0.2° |
| CLAI | CAX | CAQ | CBB | 179.8° | 180.0° |
| CLAI | CAX | CAQ | HAQ | 0.2° | 0.0° |
| CAN | CAK | CAW | HAK | 180.0° | 179.8° |
| CAN | CAK | CAW | CAL | 0.4° | 0.3° |
| CAK | CAN | CAY | HAN | 180.0° | 179.9° |
| CAK | CAN | CAY | CAO | 0.5° | 0.0° |
| CAK | CAN | CAY | CAR | 179.0° | 180.0° |
| CAK | CAW | CAL | CAO | 0.9° | 0.6° |
| CAK | CAW | CAL | HAL | 179.1° | 180.0° |
| CAW | CAK | CAN | CAY | 0.3° | 0.0° |
| CAW | CAK | CAN | HAN | 179.7° | 179.9° |
| HAK | CAK | CAW | CAL | 179.6° | 179.9° |
| HAK | CAK | CAN | CAY | 179.6° | 179.8° |
| HAK | CAK | CAN | HAN | 0.4° | 0.3° |
| CAW | CAL | CAO | HAL | 180.0° | 179.4° |
| CAW | CAL | CAO | CAY | 0.7° | 0.6° |
| CAW | CAL | CAO | HAO | 179.3° | 179.4° |
| CAL | CAO | CAY | CAN | 0.0° | 0.3° |
| CAL | CAO | CAY | HAO | 180.0° | 180.0° |
| CAL | CAO | CAY | CAR | 179.5° | 179.7° |
| HAL | CAL | CAO | CAY | 179.3° | 180.0° |
| HAL | CAL | CAO | HAO | 0.7° | 0.1° |
| CAX | CAM | CAP | HAM | 180.0° | 179.8° |
| CAX | CAM | CAP | CBC | 0.2° | 0.0° |
| CAX | CAM | CAP | HAP | 179.8° | 180.0° |
| CAM | CAX | CAQ | CBB | 0.8° | 0.0° |
| CAM | CAX | CAQ | HAQ | 179.2° | 180.0° |
| CAM | CAP | CBC | HAP | 180.0° | 180.0° |
| CAP | CAM | CAX | CAQ | 0.4° | 0.1° |
| CAM | CAP | CBC | CBA | 179.5° | 179.9° |
| CAM | CAP | CBC | CBB | 0.4° | 0.0° |
| HAM | CAM | CAP | CBC | 179.8° | 179.7° |
| HAM | CAM | CAP | HAP | 0.2° | 0.2° |
| HAM | CAM | CAX | CAQ | 179.6° | 179.7° |
| CAN | CAY | CAO | CAR | 179.5° | 180.0° |
| CAN | CAY | CAO | HAO | 180.0° | 179.7° |
| CAN | CAY | CAR | HAR | 77.6° | 30.0° |
| CAN | CAY | CAR | HARA | 42.4° | 150.1° |
| HAN | CAN | CAY | CAO | 179.5° | 179.9° |
| HAN | CAN | CAY | CAR | 1.0° | 0.1° |
| CAO | CAY | CAR | HAR | 102.9° | 150.0° |
| CAO | CAY | CAR | HARA | 137.1° | 29.9° |
| HAO | CAO | CAY | CAR | 0.5° | 0.3° |
| CAP | CBC | CBB | CAQ | 0.8° | 0.0° |
| CAP | CBC | CBB | NAT | 178.6° | 180.0° |
| CAP | CBC | CBA | CAZ | 178.9° | 180.0° |
| CAP | CBC | CBA | CBB | 179.2° | 179.9° |
| HAP | CAP | CBC | CBA | 0.5° | 0.1° |
| HAP | CAP | CBC | CBB | 179.6° | 180.0° |
| CAX | CAQ | CBB | HAQ | 180.0° | 180.0° |
| CAX | CAQ | CBB | NAT | 178.3° | 180.0° |
| CAX | CAQ | CBB | CBC | 1.0° | 0.0° |
| CAQ | CBB | NAT | CBC | 179.4° | 180.0° |
| CAQ | CBB | NAT | CAZ | 179.7° | 180.0° |
| CAQ | CBB | CBC | CBA | 179.9° | 179.9° |
| CAQ | CBB | NAT | HNAT | 0.3° | 0.0° |
| HAQ | CAQ | CBB | NAT | 1.7° | 0.0° |
| HAQ | CAQ | CBB | CBC | 179.0° | 180.0° |
| CAY | CAR | HAR | HARA | 117.0° | 120.1° |
| CBB | NAT | CAZ | HNAT | 180.0° | 180.0° |
| CBB | NAT | CAZ | CAU | 178.5° | 180.0° |
| CBB | NAT | CAZ | CBA | 0.8° | 0.0° |
| NAT | CBB | CBC | CBA | 0.7° | 0.0° |
| NAT | CAZ | CAU | CBA | 179.1° | 180.0° |
| NAT | CAZ | CBA | CBC | 0.3° | 0.0° |
| CAZ | NAT | CBB | CBC | 0.9° | 0.0° |
| CAU | CAZ | CBA | CBC | 178.9° | 179.9° |
| CAU | CAZ | NAT | HNAT | 1.5° | 0.1° |
| CAZ | CBA | CBC | CBB | 0.2° | 0.0° |
| CBA | CAZ | NAT | HNAT | 179.2° | 179.9° |
| CBC | CBB | NAT | HNAT | 179.1° | 180.0° |
