3RG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.19Å | |
| C | OXT | sing | 1.34Å | 1.40Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | CAM | sing | 1.39Å | 1.47Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CAL | OAB | sing | 1.35Å | 1.40Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAD | CAL | doub | 1.22Å | 1.19Å | |
| CAG | CAE | doub | 1.38Å | 1.55Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.56Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAF | doub | 1.38Å | 1.55Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAM | CAG | sing | 1.39Å | 1.55Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAN | CAH | sing | 1.40Å | 1.54Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | CAN | sing | 1.47Å | 1.53Å | |
| CAM | CAN | doub | 1.40Å | 1.55Å | Aromatic |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.4° | 120.0° |
| O | C | CA | 118.7° | 120.0° |
| OXT | C | CA | 119.0° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| C | CA | N | 107.4° | 109.5° |
| C | CA | HA | 110.2° | 109.4° |
| C | CA | HAA | 110.2° | 109.5° |
| CA | N | CAM | 122.7° | 120.0° |
| CA | N | HN | 105.3° | 120.0° |
| N | CA | HA | 110.2° | 109.4° |
| N | CA | HAA | 110.2° | 109.5° |
| CAM | N | HN | 105.3° | 120.0° |
| N | CAM | CAG | 122.4° | 120.2° |
| N | CAM | CAN | 117.9° | 120.1° |
| HA | CA | HAA | 108.7° | 109.5° |
| CAL | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAL | OAD | 120.1° | 120.1° |
| OAB | CAL | CAN | 117.9° | 120.0° |
| OAD | CAL | CAN | 120.1° | 119.9° |
| CAG | CAE | CAF | 120.3° | 120.4° |
| CAG | CAE | HAE | 119.8° | 119.8° |
| CAE | CAG | CAM | 119.7° | 120.1° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAF | CAE | HAE | 119.9° | 119.8° |
| CAE | CAF | CAH | 119.9° | 120.3° |
| CAE | CAF | HAF | 120.0° | 119.8° |
| CAH | CAF | HAF | 120.1° | 119.8° |
| CAF | CAH | CAN | 119.5° | 120.0° |
| CAF | CAH | HAH | 120.3° | 120.1° |
| CAM | CAG | HAG | 120.2° | 120.0° |
| CAG | CAM | CAN | 119.6° | 119.7° |
| CAN | CAH | HAH | 120.2° | 120.0° |
| CAH | CAN | CAL | 120.2° | 120.2° |
| CAH | CAN | CAM | 121.0° | 119.5° |
| CAL | CAN | CAM | 118.8° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 163.9° | 179.8° |
| O | C | CA | N | 3.0° | 0.2° |
| O | C | CA | HA | 123.0° | 119.7° |
| O | C | CA | HAA | 117.0° | 120.2° |
| O | C | OXT | HOXT | 0.0° | 0.2° |
| OXT | C | CA | N | 167.2° | 180.0° |
| OXT | C | CA | HA | 72.8° | 60.0° |
| OXT | C | CA | HAA | 47.2° | 60.0° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 120.0° |
| C | CA | N | CAM | 100.5° | 180.0° |
| C | CA | N | HN | 19.5° | 0.1° |
| C | CA | HA | HAA | 120.8° | 120.0° |
| CA | C | OXT | HOXT | 163.9° | 180.0° |
| CA | N | CAM | HN | 120.0° | 179.9° |
| N | CA | HA | HAA | 120.8° | 120.0° |
| CA | N | CAM | CAG | 31.8° | 5.5° |
| CA | N | CAM | CAN | 148.3° | 175.1° |
| CAM | N | CA | HA | 139.4° | 60.1° |
| CAM | N | CA | HAA | 19.5° | 59.9° |
| N | CAM | CAG | CAE | 179.8° | 180.0° |
| N | CAM | CAG | CAN | 179.9° | 179.4° |
| N | CAM | CAG | HAG | 0.2° | 0.1° |
| N | CAM | CAN | CAH | 179.9° | 179.8° |
| N | CAM | CAN | CAL | 0.1° | 0.0° |
| HN | N | CA | HA | 100.5° | 120.0° |
| HN | N | CA | HAA | 139.5° | 119.9° |
| HN | N | CAM | CAG | 88.2° | 174.6° |
| HN | N | CAM | CAN | 91.7° | 4.8° |
| OAB | CAL | OAD | CAN | 164.0° | 180.0° |
| OAB | CAL | CAN | CAH | 14.4° | 5.9° |
| OAB | CAL | CAN | CAM | 165.7° | 173.8° |
| HOAB | OAB | CAL | OAD | 0.0° | 0.0° |
| HOAB | OAB | CAL | CAN | 164.3° | 180.0° |
| OAD | CAL | CAN | CAH | 149.9° | 174.1° |
| OAD | CAL | CAN | CAM | 30.0° | 6.1° |
| CAG | CAE | CAF | HAE | 180.0° | 179.8° |
| CAG | CAE | CAF | CAH | 0.2° | 0.2° |
| CAG | CAE | CAF | HAF | 179.8° | 179.8° |
| CAE | CAG | CAM | HAG | 180.0° | 179.9° |
| CAE | CAG | CAM | CAN | 0.1° | 0.6° |
| CAE | CAF | CAH | HAF | 180.0° | 180.0° |
| CAF | CAE | CAG | CAM | 0.2° | 0.1° |
| CAF | CAE | CAG | HAG | 179.9° | 180.0° |
| CAE | CAF | CAH | CAN | 0.2° | 0.0° |
| CAE | CAF | CAH | HAH | 179.8° | 179.9° |
| HAE | CAE | CAF | CAH | 179.8° | 180.0° |
| HAE | CAE | CAF | HAF | 0.2° | 0.0° |
| HAE | CAE | CAG | CAM | 179.9° | 179.7° |
| HAE | CAE | CAG | HAG | 0.1° | 0.2° |
| CAF | CAH | CAN | HAH | 180.0° | 179.9° |
| CAF | CAH | CAN | CAL | 179.9° | 179.7° |
| CAF | CAH | CAN | CAM | 0.1° | 0.6° |
| HAF | CAF | CAH | CAN | 179.8° | 180.0° |
| HAF | CAF | CAH | HAH | 0.2° | 0.1° |
| CAG | CAM | CAN | CAH | 0.0° | 0.9° |
| CAG | CAM | CAN | CAL | 180.0° | 179.4° |
| HAG | CAG | CAM | CAN | 179.9° | 179.5° |
| CAH | CAN | CAL | CAM | 179.9° | 179.7° |
| HAH | CAH | CAN | CAL | 0.1° | 0.2° |
| HAH | CAH | CAN | CAM | 179.9° | 179.5° |
