3TG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CAO | sing | 1.51Å | 1.51Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CAM | N | sing | 1.37Å | 1.34Å | Aromatic |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | CAN | sing | 1.35Å | 1.34Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CAD | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAG | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAK | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAH | doub | 1.35Å | 1.38Å | Aromatic |
| CAH | NAQ | sing | 1.34Å | 1.35Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAT | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAQ | CAN | doub | 1.31Å | 1.35Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAU | CAO | sing | 1.53Å | 1.53Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAS | CAU | sing | 1.51Å | 1.49Å | |
| CAU | CAT | sing | 1.51Å | 1.49Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CAO | 120.8° | 120.0° |
| O | C | CA | 121.0° | 120.0° |
| CAO | C | CA | 118.2° | 120.0° |
| C | CAO | CAU | 112.9° | 109.5° |
| C | CAO | HAO | 108.4° | 109.4° |
| C | CAO | HAOA | 108.4° | 109.5° |
| C | CA | N | 110.4° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| C | CA | HAA | 109.2° | 109.5° |
| CAM | N | CA | 125.5° | 126.4° |
| CAM | N | CAN | 108.6° | 107.2° |
| N | CAM | CAH | 107.7° | 106.8° |
| N | CAM | HAM | 126.2° | 126.6° |
| CA | N | CAN | 125.9° | 126.4° |
| N | CA | HA | 109.2° | 109.5° |
| N | CA | HAA | 109.1° | 109.5° |
| N | CAN | NAQ | 108.5° | 108.7° |
| N | CAN | HAN | 125.8° | 125.7° |
| HA | CA | HAA | 109.8° | 109.4° |
| CAD | CAB | CAE | 119.9° | 120.0° |
| CAD | CAB | HAB | 120.1° | 120.0° |
| CAB | CAD | CAI | 119.7° | 120.0° |
| CAB | CAD | HAD | 120.2° | 120.0° |
| CAE | CAB | HAB | 120.0° | 120.0° |
| CAB | CAE | CAJ | 120.3° | 120.0° |
| CAB | CAE | HAE | 119.9° | 120.0° |
| CAG | CAC | CAF | 119.7° | 120.0° |
| CAG | CAC | HAC | 120.1° | 120.0° |
| CAC | CAG | CAL | 119.6° | 120.0° |
| CAC | CAG | HAG | 120.2° | 120.0° |
| CAF | CAC | HAC | 120.2° | 120.0° |
| CAC | CAF | CAK | 120.6° | 120.0° |
| CAC | CAF | HAF | 119.7° | 120.0° |
| CAI | CAD | HAD | 120.2° | 120.0° |
| CAD | CAI | CAS | 120.7° | 120.0° |
| CAD | CAI | HAI | 119.6° | 120.0° |
| CAJ | CAE | HAE | 119.8° | 120.0° |
| CAE | CAJ | CAS | 120.0° | 120.0° |
| CAE | CAJ | HAJ | 120.0° | 120.0° |
| CAK | CAF | HAF | 119.7° | 119.9° |
| CAF | CAK | CAT | 120.2° | 119.9° |
| CAF | CAK | HAK | 119.9° | 120.0° |
| CAL | CAG | HAG | 120.2° | 120.0° |
| CAG | CAL | CAT | 121.0° | 120.0° |
| CAG | CAL | HAL | 119.5° | 120.0° |
| CAM | CAH | NAQ | 107.1° | 108.0° |
| CAM | CAH | HAH | 126.4° | 126.0° |
| CAH | CAM | HAM | 126.1° | 126.5° |
| NAQ | CAH | HAH | 126.4° | 126.0° |
| CAH | NAQ | CAN | 108.1° | 109.2° |
| CAS | CAI | HAI | 119.6° | 120.0° |
| CAI | CAS | CAJ | 119.4° | 120.0° |
| CAI | CAS | CAU | 119.4° | 120.0° |
| CAS | CAJ | HAJ | 120.0° | 119.9° |
| CAJ | CAS | CAU | 121.2° | 120.0° |
| CAT | CAK | HAK | 119.9° | 120.0° |
| CAK | CAT | CAL | 118.9° | 120.0° |
| CAK | CAT | CAU | 119.3° | 120.0° |
| CAT | CAL | HAL | 119.5° | 119.9° |
| CAL | CAT | CAU | 121.9° | 120.0° |
| NAQ | CAN | HAN | 125.7° | 125.6° |
| CAU | CAO | HAO | 108.4° | 109.5° |
| CAU | CAO | HAOA | 108.4° | 109.5° |
| CAO | CAU | CAS | 109.0° | 109.4° |
| CAO | CAU | CAT | 108.6° | 109.5° |
| CAO | CAU | HAU | 111.8° | 109.5° |
| HAO | CAO | HAOA | 110.5° | 109.4° |
| CAS | CAU | CAT | 113.2° | 109.5° |
| CAS | CAU | HAU | 107.0° | 109.5° |
| CAT | CAU | HAU | 107.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CAO | CA | 179.6° | 179.7° |
| O | C | CA | N | 15.5° | 0.3° |
| O | C | CA | HA | 104.5° | 119.7° |
| O | C | CA | HAA | 135.5° | 120.3° |
| O | C | CAO | CAU | 17.2° | 0.3° |
| O | C | CAO | HAO | 102.8° | 120.3° |
| O | C | CAO | HAOA | 137.2° | 119.8° |
| CAO | C | CA | N | 164.1° | 180.0° |
| CAO | C | CA | HA | 75.9° | 60.0° |
| CAO | C | CA | HAA | 44.1° | 60.0° |
| C | CAO | CAU | HAO | 120.0° | 120.0° |
| C | CAO | CAU | HAOA | 120.0° | 120.1° |
| C | CAO | HAO | HAOA | 118.6° | 120.0° |
| C | CAO | CAU | CAS | 102.1° | 65.0° |
| C | CAO | CAU | CAT | 134.1° | 175.0° |
| C | CAO | CAU | HAU | 15.9° | 55.0° |
| C | CA | N | CAM | 119.4° | 89.7° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 120.0° |
| C | CA | N | CAN | 60.6° | 90.0° |
| C | CA | HA | HAA | 119.6° | 120.0° |
| CA | C | CAO | CAU | 163.2° | 180.0° |
| CA | C | CAO | HAO | 76.8° | 60.0° |
| CA | C | CAO | HAOA | 43.2° | 59.9° |
| CAM | N | CA | CAN | 179.9° | 179.8° |
| CAM | N | CA | HA | 0.6° | 150.2° |
| CAM | N | CA | HAA | 120.6° | 30.3° |
| N | CAM | CAH | HAM | 180.0° | 180.0° |
| N | CAM | CAH | NAQ | 0.1° | 0.2° |
| N | CAM | CAH | HAH | 179.9° | 179.8° |
| CAM | N | CAN | NAQ | 0.1° | 0.2° |
| CAM | N | CAN | HAN | 179.9° | 179.8° |
| N | CA | HA | HAA | 119.6° | 120.0° |
| CA | N | CAM | CAH | 179.9° | 180.0° |
| CA | N | CAM | HAM | 0.1° | 0.0° |
| CA | N | CAN | NAQ | 179.8° | 180.0° |
| CA | N | CAN | HAN | 0.2° | 0.1° |
| CAN | N | CA | HA | 179.4° | 30.0° |
| CAN | N | CA | HAA | 59.4° | 150.0° |
| CAN | N | CAM | CAH | 0.0° | 0.2° |
| N | CAN | NAQ | CAH | 0.1° | 0.1° |
| CAN | N | CAM | HAM | 180.0° | 179.8° |
| N | CAN | NAQ | HAN | 180.0° | 180.0° |
| CAD | CAB | CAE | HAB | 180.0° | 179.6° |
| CAB | CAD | CAI | HAD | 180.0° | 179.9° |
| CAD | CAB | CAE | CAJ | 0.2° | 0.4° |
| CAD | CAB | CAE | HAE | 179.8° | 179.7° |
| CAB | CAD | CAI | CAS | 0.2° | 0.0° |
| CAB | CAD | CAI | HAI | 179.8° | 180.0° |
| CAE | CAB | CAD | CAI | 0.2° | 0.1° |
| CAE | CAB | CAD | HAD | 179.9° | 180.0° |
| CAB | CAE | CAJ | HAE | 180.0° | 179.9° |
| CAB | CAE | CAJ | CAS | 0.4° | 0.6° |
| CAB | CAE | CAJ | HAJ | 179.6° | 179.9° |
| HAB | CAB | CAD | CAI | 179.8° | 179.7° |
| HAB | CAB | CAD | HAD | 0.1° | 0.4° |
| HAB | CAB | CAE | CAJ | 179.7° | 180.0° |
| HAB | CAB | CAE | HAE | 0.2° | 0.1° |
| CAG | CAC | CAF | HAC | 180.0° | 179.8° |
| CAG | CAC | CAF | CAK | 0.2° | 0.3° |
| CAG | CAC | CAF | HAF | 179.8° | 179.7° |
| CAC | CAG | CAL | HAG | 180.0° | 179.9° |
| CAC | CAG | CAL | CAT | 0.1° | 0.5° |
| CAC | CAG | CAL | HAL | 179.9° | 180.0° |
| CAC | CAF | CAK | HAF | 180.0° | 180.0° |
| CAF | CAC | CAG | CAL | 0.1° | 0.0° |
| CAF | CAC | CAG | HAG | 179.9° | 180.0° |
| CAC | CAF | CAK | CAT | 0.1° | 0.1° |
| CAC | CAF | CAK | HAK | 179.9° | 180.0° |
| HAC | CAC | CAF | CAK | 179.8° | 180.0° |
| HAC | CAC | CAF | HAF | 0.2° | 0.0° |
| HAC | CAC | CAG | CAL | 179.9° | 179.8° |
| HAC | CAC | CAG | HAG | 0.1° | 0.3° |
| CAD | CAI | CAS | HAI | 180.0° | 180.0° |
| CAD | CAI | CAS | CAJ | 0.3° | 0.2° |
| CAD | CAI | CAS | CAU | 179.9° | 180.0° |
| HAD | CAD | CAI | CAS | 179.8° | 179.9° |
| HAD | CAD | CAI | HAI | 0.2° | 0.1° |
| CAE | CAJ | CAS | CAI | 0.4° | 0.5° |
| CAE | CAJ | CAS | HAJ | 180.0° | 179.5° |
| CAE | CAJ | CAS | CAU | 180.0° | 179.7° |
| HAE | CAE | CAJ | CAS | 179.6° | 179.5° |
| HAE | CAE | CAJ | HAJ | 0.3° | 0.0° |
| CAF | CAK | CAT | HAK | 180.0° | 179.9° |
| CAF | CAK | CAT | CAL | 0.1° | 0.6° |
| CAF | CAK | CAT | CAU | 179.7° | 179.8° |
| HAF | CAF | CAK | CAT | 179.9° | 179.9° |
| HAF | CAF | CAK | HAK | 0.1° | 0.0° |
| CAG | CAL | CAT | CAK | 0.2° | 0.9° |
| CAG | CAL | CAT | HAL | 180.0° | 179.5° |
| CAG | CAL | CAT | CAU | 179.6° | 180.0° |
| HAG | CAG | CAL | CAT | 179.9° | 179.4° |
| HAG | CAG | CAL | HAL | 0.1° | 0.1° |
| CAM | CAH | NAQ | HAH | 180.0° | 180.0° |
| CAM | CAH | NAQ | CAN | 0.1° | 0.0° |
| NAQ | CAH | CAM | HAM | 179.9° | 179.9° |
| CAH | NAQ | CAN | HAN | 179.8° | 179.9° |
| HAH | CAH | CAM | HAM | 0.1° | 0.1° |
| HAH | CAH | NAQ | CAN | 179.9° | 180.0° |
| CAI | CAS | CAJ | CAU | 179.6° | 179.8° |
| CAI | CAS | CAJ | HAJ | 179.6° | 180.0° |
| CAI | CAS | CAU | CAO | 133.6° | 51.8° |
| CAI | CAS | CAU | CAT | 105.5° | 68.2° |
| CAI | CAS | CAU | HAU | 12.6° | 171.8° |
| HAI | CAI | CAS | CAJ | 179.7° | 179.8° |
| HAI | CAI | CAS | CAU | 0.1° | 0.0° |
| CAJ | CAS | CAU | CAO | 46.0° | 128.5° |
| CAJ | CAS | CAU | CAT | 75.0° | 111.5° |
| CAJ | CAS | CAU | HAU | 167.0° | 8.5° |
| HAJ | CAJ | CAS | CAU | 0.0° | 0.2° |
| CAK | CAT | CAL | CAU | 179.9° | 179.1° |
| CAK | CAT | CAL | HAL | 179.8° | 179.7° |
| CAK | CAT | CAU | CAO | 52.6° | 52.8° |
| CAK | CAT | CAU | CAS | 173.7° | 67.2° |
| CAK | CAT | CAU | HAU | 68.4° | 172.8° |
| HAK | CAK | CAT | CAL | 179.9° | 179.5° |
| HAK | CAK | CAT | CAU | 0.3° | 0.3° |
| CAL | CAT | CAU | CAO | 127.3° | 128.1° |
| CAL | CAT | CAU | CAS | 6.1° | 112.0° |
| CAL | CAT | CAU | HAU | 111.7° | 8.0° |
| HAL | CAL | CAT | CAU | 0.3° | 0.5° |
| CAU | CAO | HAO | HAOA | 118.6° | 120.0° |
| CAO | CAU | CAS | CAT | 121.0° | 120.0° |
| CAO | CAU | CAS | HAU | 121.0° | 120.0° |
| CAO | CAU | CAT | HAU | 121.0° | 120.0° |
| HAO | CAO | CAU | CAS | 137.9° | 55.0° |
| HAO | CAO | CAU | CAT | 14.1° | 65.0° |
| HAO | CAO | CAU | HAU | 104.1° | 175.0° |
| HAOA | CAO | CAU | CAS | 17.9° | 175.0° |
| HAOA | CAO | CAU | CAT | 105.8° | 55.0° |
| HAOA | CAO | CAU | HAU | 135.9° | 65.1° |
| CAS | CAU | CAT | HAU | 117.8° | 120.0° |
