ZBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.38Å | |
| SG | CAM | sing | 1.76Å | 1.69Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | SG | sing | 1.81Å | 1.79Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OAC | CAM | doub | 1.22Å | 1.22Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAE | doub | 1.38Å | 1.45Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAE | sing | 1.38Å | 1.48Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAG | doub | 1.38Å | 1.45Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | CAN | sing | 1.48Å | 1.53Å | |
| CAN | CAH | doub | 1.40Å | 1.54Å | Aromatic |
| CAN | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 120.9° | 120.0° |
| OXT | C | CA | 120.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.0° |
| H2 | N | CA | 109.4° | 111.0° |
| O | C | CA | 118.3° | 120.0° |
| CAM | SG | CB | 120.4° | 100.0° |
| SG | CAM | OAC | 120.4° | 120.0° |
| SG | CAM | CAN | 119.6° | 120.0° |
| C | CA | N | 113.1° | 109.5° |
| C | CA | HA | 102.5° | 109.5° |
| C | CA | CB | 115.2° | 109.5° |
| N | CA | HA | 109.6° | 109.5° |
| N | CA | CB | 109.0° | 109.5° |
| HA | CA | CB | 107.1° | 109.4° |
| SG | CB | CA | 112.1° | 109.5° |
| SG | CB | HB | 108.6° | 109.4° |
| SG | CB | HBA | 108.6° | 109.4° |
| CA | CB | HB | 108.6° | 109.5° |
| CA | CB | HBA | 108.6° | 109.5° |
| HB | CB | HBA | 110.3° | 109.4° |
| OAC | CAM | CAN | 119.9° | 120.0° |
| HAE | CAE | CAF | 119.9° | 119.9° |
| HAE | CAE | CAG | 120.0° | 119.8° |
| CAE | CAF | HAF | 120.1° | 119.9° |
| CAF | CAE | CAG | 120.1° | 120.3° |
| CAE | CAF | CAH | 119.8° | 120.1° |
| HAF | CAF | CAH | 120.1° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAE | CAG | CAI | 120.1° | 120.1° |
| HAG | CAG | CAI | 119.9° | 119.9° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAF | CAH | CAN | 120.0° | 119.9° |
| HAH | CAH | CAN | 120.0° | 120.1° |
| CAG | CAI | HAI | 119.9° | 120.1° |
| CAG | CAI | CAN | 120.1° | 119.9° |
| HAI | CAI | CAN | 120.0° | 120.0° |
| CAM | CAN | CAH | 120.5° | 120.1° |
| CAM | CAN | CAI | 119.6° | 120.1° |
| CAH | CAN | CAI | 119.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 180.0° | 179.6° |
| OXT | C | CA | N | 37.0° | 160.0° |
| OXT | C | CA | HA | 154.9° | 40.0° |
| OXT | C | CA | CB | 89.2° | 80.0° |
| H | N | H2 | CA | 120.0° | 124.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | HA | 66.4° | 180.0° |
| H | N | CA | CB | 50.5° | 60.0° |
| H2 | N | CA | C | 60.0° | 176.0° |
| H2 | N | CA | HA | 53.6° | 56.0° |
| H2 | N | CA | CB | 170.5° | 63.9° |
| O | C | CA | N | 143.0° | 20.3° |
| O | C | CA | HA | 25.1° | 140.3° |
| O | C | CA | CB | 90.8° | 99.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CAM | SG | CB | CA | 74.4° | 180.0° |
| CAM | SG | CB | HB | 45.6° | 60.0° |
| CAM | SG | CB | HBA | 165.6° | 60.0° |
| SG | CAM | OAC | CAN | 176.5° | 180.0° |
| SG | CAM | CAN | CAH | 44.8° | 180.0° |
| SG | CAM | CAN | CAI | 134.1° | 0.3° |
| C | CA | N | HA | 113.6° | 120.0° |
| C | CA | N | CB | 129.5° | 120.0° |
| C | CA | HA | CB | 121.6° | 120.0° |
| C | CA | CB | SG | 66.4° | 180.0° |
| C | CA | CB | HB | 173.6° | 60.0° |
| C | CA | CB | HBA | 53.6° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| N | CA | HA | CB | 118.1° | 120.0° |
| N | CA | CB | SG | 61.9° | 60.0° |
| N | CA | CB | HB | 58.1° | 180.0° |
| N | CA | CB | HBA | 178.1° | 60.0° |
| HA | CA | CB | SG | 179.6° | 60.0° |
| HA | CA | CB | HB | 60.4° | 60.0° |
| HA | CA | CB | HBA | 59.6° | 180.0° |
| SG | CB | CA | HB | 120.0° | 120.0° |
| SG | CB | CA | HBA | 120.0° | 120.0° |
| SG | CB | HB | HBA | 119.0° | 119.9° |
| CB | SG | CAM | OAC | 0.5° | 0.0° |
| CB | SG | CAM | CAN | 175.9° | 180.0° |
| CA | CB | HB | HBA | 118.9° | 120.0° |
| OAC | CAM | CAN | CAH | 138.7° | 0.0° |
| OAC | CAM | CAN | CAI | 42.4° | 179.7° |
| HAE | CAE | CAF | CAG | 180.0° | 179.8° |
| HAE | CAE | CAF | HAF | 0.1° | 0.0° |
| HAE | CAE | CAG | HAG | 0.0° | 0.1° |
| HAE | CAE | CAF | CAH | 179.9° | 179.9° |
| HAE | CAE | CAG | CAI | 180.0° | 179.9° |
| CAE | CAF | HAF | CAH | 180.0° | 180.0° |
| CAF | CAE | CAG | HAG | 180.0° | 179.7° |
| CAE | CAF | CAH | HAH | 179.6° | 179.9° |
| CAF | CAE | CAG | CAI | 0.1° | 0.3° |
| CAE | CAF | CAH | CAN | 0.4° | 0.0° |
| HAF | CAF | CAE | CAG | 179.9° | 179.7° |
| HAF | CAF | CAH | HAH | 0.4° | 0.1° |
| HAF | CAF | CAH | CAN | 179.6° | 180.0° |
| CAE | CAG | HAG | CAI | 180.0° | 180.0° |
| CAG | CAE | CAF | CAH | 0.1° | 0.3° |
| CAE | CAG | CAI | HAI | 179.9° | 180.0° |
| CAE | CAG | CAI | CAN | 0.1° | 0.0° |
| HAG | CAG | CAI | HAI | 0.1° | 0.0° |
| HAG | CAG | CAI | CAN | 179.9° | 180.0° |
| CAF | CAH | HAH | CAN | 180.0° | 179.9° |
| CAF | CAH | CAN | CAM | 179.4° | 180.0° |
| CAF | CAH | CAN | CAI | 0.5° | 0.3° |
| HAH | CAH | CAN | CAM | 0.6° | 0.1° |
| HAH | CAH | CAN | CAI | 179.4° | 179.8° |
| CAG | CAI | HAI | CAN | 180.0° | 180.0° |
| CAG | CAI | CAN | CAM | 179.2° | 180.0° |
| CAG | CAI | CAN | CAH | 0.4° | 0.3° |
| HAI | CAI | CAN | CAM | 0.7° | 0.0° |
| HAI | CAI | CAN | CAH | 179.6° | 179.7° |
| CAM | CAN | CAH | CAI | 178.8° | 179.7° |
