2XA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CB | SG | sing | 1.81Å | 1.86Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| SG | CAZ | sing | 1.81Å | 1.86Å | |
| CAM | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CL | sing | 1.74Å | 1.73Å | |
| CAH | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAZ | sing | 1.51Å | 1.54Å | |
| CAF | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAZ | sing | 1.51Å | 1.54Å | |
| CAE | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAZ | sing | 1.51Å | 1.55Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 111.9° | 109.4° |
| N | CA | C | 109.4° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| N | CA | HA | 108.2° | 109.5° |
| CB | CA | C | 110.4° | 109.5° |
| CA | CB | SG | 115.9° | 109.5° |
| CB | CA | HA | 107.1° | 109.4° |
| CA | CB | HB1C | 107.4° | 109.5° |
| CA | CB | HB2C | 105.9° | 109.5° |
| CA | C | OXT | 118.2° | 120.0° |
| CA | C | O | 115.7° | 120.0° |
| C | CA | HA | 109.7° | 109.5° |
| CB | SG | CAZ | 109.3° | 103.0° |
| SG | CB | HB1C | 107.4° | 109.5° |
| SG | CB | HB2C | 105.9° | 109.4° |
| OXT | C | O | 126.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| SG | CAZ | CAV | 108.9° | 109.5° |
| SG | CAZ | CAK | 111.9° | 109.4° |
| SG | CAZ | CAI | 103.2° | 109.5° |
| CAG | CAM | CAV | 120.3° | 120.0° |
| CAM | CAG | CAD | 118.0° | 120.0° |
| CAG | CAM | HAM | 119.8° | 120.0° |
| CAM | CAG | HAG | 121.0° | 120.0° |
| CAM | CAV | CAN | 120.8° | 120.0° |
| CAM | CAV | CAZ | 120.0° | 120.0° |
| CAV | CAM | HAM | 119.9° | 120.0° |
| CAG | CAD | CAH | 122.4° | 120.0° |
| CAG | CAD | CL | 118.1° | 120.0° |
| CAD | CAG | HAG | 121.0° | 120.0° |
| CAH | CAD | CL | 119.5° | 120.0° |
| CAD | CAH | CAN | 119.3° | 120.0° |
| CAD | CAH | HAH | 120.4° | 120.0° |
| CAH | CAN | CAV | 119.2° | 120.0° |
| CAN | CAH | HAH | 120.3° | 120.0° |
| CAH | CAN | HAN | 120.4° | 120.0° |
| CAN | CAV | CAZ | 119.1° | 120.0° |
| CAV | CAN | HAN | 120.4° | 120.0° |
| CAV | CAZ | CAK | 110.2° | 109.5° |
| CAV | CAZ | CAI | 115.8° | 109.5° |
| CAL | CAF | CAK | 121.7° | 120.0° |
| CAF | CAL | CAR | 119.2° | 120.0° |
| CAL | CAF | HAF | 119.2° | 120.0° |
| CAF | CAL | HAL | 120.4° | 120.0° |
| CAF | CAK | CAQ | 118.8° | 120.0° |
| CAF | CAK | CAZ | 120.4° | 120.0° |
| CAK | CAF | HAF | 119.2° | 120.0° |
| CAL | CAR | CAX | 119.5° | 120.0° |
| CAR | CAL | HAL | 120.4° | 120.0° |
| CAL | CAR | HAR | 120.3° | 120.0° |
| CAR | CAX | CAQ | 121.2° | 120.0° |
| CAX | CAR | HAR | 120.3° | 120.0° |
| CAR | CAX | HAX | 119.4° | 119.9° |
| CAX | CAQ | CAK | 119.6° | 120.0° |
| CAQ | CAX | HAX | 119.4° | 120.1° |
| CAX | CAQ | HAQ | 120.2° | 120.0° |
| CAQ | CAK | CAZ | 120.7° | 120.0° |
| CAK | CAQ | HAQ | 120.2° | 120.0° |
| CAK | CAZ | CAI | 106.7° | 109.5° |
| CAJ | CAE | CAI | 121.4° | 120.0° |
| CAE | CAJ | CAP | 119.6° | 120.0° |
| CAJ | CAE | HAE | 119.3° | 120.0° |
| CAE | CAJ | HAJ | 120.2° | 120.0° |
| CAE | CAI | CAO | 118.3° | 120.0° |
| CAE | CAI | CAZ | 119.2° | 120.0° |
| CAI | CAE | HAE | 119.3° | 119.9° |
| CAJ | CAP | CAW | 119.7° | 120.0° |
| CAP | CAJ | HAJ | 120.2° | 120.0° |
| CAJ | CAP | HAP | 120.2° | 120.0° |
| CAP | CAW | CAO | 120.3° | 120.0° |
| CAW | CAP | HAP | 120.1° | 120.0° |
| CAP | CAW | HAW | 119.9° | 120.0° |
| CAW | CAO | CAI | 120.8° | 120.0° |
| CAO | CAW | HAW | 119.9° | 120.0° |
| CAW | CAO | HAO | 119.6° | 120.0° |
| CAO | CAI | CAZ | 122.6° | 119.9° |
| CAI | CAO | HAO | 119.6° | 120.1° |
| HN1 | N | HN2 | 109.4° | 111.1° |
| HB1C | CB | HB2C | 114.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 122.1° | 120.0° |
| N | CA | CB | HA | 118.5° | 119.9° |
| N | CA | C | HA | 118.6° | 120.0° |
| N | CA | CB | SG | 94.4° | 60.0° |
| N | CA | C | OXT | 65.8° | 160.0° |
| N | CA | C | O | 114.7° | 20.0° |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| N | CA | CB | HB1C | 25.6° | 60.0° |
| N | CA | CB | HB2C | 148.6° | 180.0° |
| CB | CA | C | HA | 117.9° | 120.0° |
| CA | CB | SG | HB1C | 120.0° | 120.0° |
| CA | CB | SG | HB2C | 117.1° | 120.0° |
| CB | CA | C | OXT | 57.8° | 80.0° |
| CB | CA | C | O | 121.7° | 100.0° |
| CA | CB | SG | CAZ | 165.3° | 176.6° |
| CB | CA | N | HN1 | 178.4° | 60.0° |
| CB | CA | N | HN2 | 58.4° | 64.0° |
| CA | CB | HB1C | HB2C | 117.4° | 120.0° |
| C | CA | CB | SG | 143.5° | 180.0° |
| CA | C | OXT | O | 179.4° | 180.0° |
| C | CA | N | HN1 | 55.7° | 60.0° |
| C | CA | N | HN2 | 64.3° | 176.0° |
| C | CA | CB | HB1C | 96.5° | 60.0° |
| C | CA | CB | HB2C | 26.5° | 60.0° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| CB | SG | CAZ | CAV | 26.5° | 52.8° |
| CB | SG | CAZ | CAK | 148.6° | 67.3° |
| CB | SG | CAZ | CAI | 97.0° | 172.8° |
| SG | CB | CA | HA | 24.1° | 60.0° |
| SG | CB | HB1C | HB2C | 117.3° | 120.0° |
| OXT | C | CA | HA | 175.6° | 40.0° |
| O | C | CA | HA | 3.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| SG | CAZ | CAV | CAM | 93.2° | 57.7° |
| SG | CAZ | CAV | CAN | 84.4° | 122.2° |
| SG | CAZ | CAV | CAK | 123.1° | 120.0° |
| SG | CAZ | CAV | CAI | 115.7° | 120.0° |
| SG | CAZ | CAK | CAF | 10.3° | 3.9° |
| SG | CAZ | CAK | CAQ | 172.2° | 176.1° |
| SG | CAZ | CAK | CAI | 112.2° | 120.0° |
| SG | CAZ | CAI | CAE | 1.5° | 32.2° |
| SG | CAZ | CAI | CAO | 177.6° | 147.8° |
| CAZ | SG | CB | HB1C | 74.7° | 56.6° |
| CAZ | SG | CB | HB2C | 48.2° | 63.4° |
| CAG | CAM | CAV | HAM | 180.0° | 179.7° |
| CAM | CAG | CAD | HAG | 180.0° | 180.0° |
| CAM | CAG | CAD | CAH | 0.7° | 0.0° |
| CAM | CAG | CAD | CL | 179.7° | 180.0° |
| CAG | CAM | CAV | CAN | 1.2° | 0.0° |
| CAG | CAM | CAV | CAZ | 178.7° | 180.0° |
| CAV | CAM | CAG | CAD | 0.7° | 0.0° |
| CAM | CAV | CAN | CAH | 1.5° | 0.0° |
| CAM | CAV | CAN | CAZ | 177.6° | 180.0° |
| CAM | CAV | CAZ | CAK | 143.7° | 177.7° |
| CAM | CAV | CAZ | CAI | 22.5° | 62.3° |
| CAV | CAM | CAG | HAG | 179.3° | 180.0° |
| CAM | CAV | CAN | HAN | 178.5° | 180.0° |
| CAG | CAD | CAH | CL | 179.6° | 180.0° |
| CAG | CAD | CAH | CAN | 1.1° | 0.0° |
| CAD | CAG | CAM | HAM | 179.3° | 179.7° |
| CAG | CAD | CAH | HAH | 178.9° | 180.0° |
| CAD | CAH | CAN | HAH | 180.0° | 180.0° |
| CAD | CAH | CAN | CAV | 1.5° | 0.0° |
| CAH | CAD | CAG | HAG | 179.3° | 180.0° |
| CAD | CAH | CAN | HAN | 178.5° | 180.0° |
| CL | CAD | CAH | CAN | 179.3° | 180.0° |
| CL | CAD | CAG | HAG | 0.3° | 0.0° |
| CL | CAD | CAH | HAH | 0.7° | 0.0° |
| CAH | CAN | CAV | HAN | 180.0° | 180.0° |
| CAH | CAN | CAV | CAZ | 179.1° | 180.0° |
| CAN | CAV | CAZ | CAK | 38.7° | 2.2° |
| CAN | CAV | CAZ | CAI | 159.9° | 117.8° |
| CAN | CAV | CAM | HAM | 178.8° | 179.7° |
| CAV | CAN | CAH | HAH | 178.5° | 180.0° |
| CAV | CAZ | CAK | CAF | 131.6° | 116.1° |
| CAV | CAZ | CAK | CAQ | 50.9° | 63.9° |
| CAV | CAZ | CAK | CAI | 126.5° | 120.0° |
| CAV | CAZ | CAI | CAE | 117.3° | 152.2° |
| CAV | CAZ | CAI | CAO | 63.6° | 27.8° |
| CAZ | CAV | CAM | HAM | 1.3° | 0.2° |
| CAZ | CAV | CAN | HAN | 0.9° | 0.0° |
| CAL | CAF | CAK | HAF | 180.0° | 179.7° |
| CAF | CAL | CAR | HAL | 180.0° | 179.9° |
| CAF | CAL | CAR | CAX | 0.3° | 0.0° |
| CAL | CAF | CAK | CAQ | 0.5° | 0.0° |
| CAL | CAF | CAK | CAZ | 178.1° | 180.0° |
| CAF | CAL | CAR | HAR | 179.7° | 179.9° |
| CAK | CAF | CAL | CAR | 0.5° | 0.0° |
| CAF | CAK | CAQ | CAX | 0.3° | 0.0° |
| CAF | CAK | CAQ | CAZ | 177.6° | 180.0° |
| CAF | CAK | CAZ | CAI | 101.9° | 123.9° |
| CAK | CAF | CAL | HAL | 179.5° | 180.0° |
| CAF | CAK | CAQ | HAQ | 179.7° | 179.9° |
| CAL | CAR | CAX | HAR | 180.0° | 180.0° |
| CAL | CAR | CAX | CAQ | 0.1° | 0.0° |
| CAR | CAL | CAF | HAF | 179.5° | 179.7° |
| CAL | CAR | CAX | HAX | 179.9° | 180.0° |
| CAR | CAX | CAQ | HAX | 180.0° | 179.9° |
| CAR | CAX | CAQ | CAK | 0.1° | 0.0° |
| CAX | CAR | CAL | HAL | 179.7° | 180.0° |
| CAR | CAX | CAQ | HAQ | 179.9° | 179.9° |
| CAX | CAQ | CAK | HAQ | 180.0° | 180.0° |
| CAX | CAQ | CAK | CAZ | 177.9° | 180.0° |
| CAQ | CAX | CAR | HAR | 179.9° | 179.9° |
| CAQ | CAK | CAZ | CAI | 75.6° | 56.2° |
| CAQ | CAK | CAF | HAF | 179.5° | 179.7° |
| CAK | CAQ | CAX | HAX | 179.9° | 180.0° |
| CAK | CAZ | CAI | CAE | 119.6° | 87.7° |
| CAK | CAZ | CAI | CAO | 59.5° | 92.3° |
| CAZ | CAK | CAF | HAF | 1.9° | 0.3° |
| CAZ | CAK | CAQ | HAQ | 2.1° | 0.0° |
| CAJ | CAE | CAI | HAE | 180.0° | 179.7° |
| CAE | CAJ | CAP | HAJ | 180.0° | 179.9° |
| CAE | CAJ | CAP | CAW | 0.2° | 0.0° |
| CAJ | CAE | CAI | CAO | 0.6° | 0.0° |
| CAJ | CAE | CAI | CAZ | 179.8° | 180.0° |
| CAE | CAJ | CAP | HAP | 179.8° | 180.0° |
| CAI | CAE | CAJ | CAP | 0.1° | 0.0° |
| CAE | CAI | CAO | CAW | 0.8° | 0.0° |
| CAE | CAI | CAO | CAZ | 179.1° | 180.0° |
| CAI | CAE | CAJ | HAJ | 179.9° | 180.0° |
| CAE | CAI | CAO | HAO | 179.3° | 180.0° |
| CAJ | CAP | CAW | HAP | 180.0° | 179.9° |
| CAJ | CAP | CAW | CAO | 0.1° | 0.0° |
| CAP | CAJ | CAE | HAE | 179.9° | 179.7° |
| CAJ | CAP | CAW | HAW | 179.9° | 179.9° |
| CAP | CAW | CAO | HAW | 180.0° | 179.9° |
| CAP | CAW | CAO | CAI | 0.4° | 0.0° |
| CAW | CAP | CAJ | HAJ | 179.7° | 180.0° |
| CAP | CAW | CAO | HAO | 179.6° | 179.9° |
| CAW | CAO | CAI | HAO | 180.0° | 180.0° |
| CAW | CAO | CAI | CAZ | 179.9° | 180.0° |
| CAO | CAW | CAP | HAP | 179.9° | 179.9° |
| CAO | CAI | CAE | HAE | 179.4° | 179.7° |
| CAI | CAO | CAW | HAW | 179.6° | 180.0° |
| CAZ | CAI | CAE | HAE | 0.2° | 0.3° |
| CAZ | CAI | CAO | HAO | 0.1° | 0.1° |
| HN1 | N | CA | HA | 63.8° | 180.0° |
| HN2 | N | CA | HA | 176.2° | 56.0° |
| HA | CA | CB | HB1C | 144.1° | 180.0° |
| HA | CA | CB | HB2C | 93.0° | 60.0° |
| HAM | CAM | CAG | HAG | 0.7° | 0.3° |
| HAH | CAH | CAN | HAN | 1.5° | 0.0° |
| HAF | CAF | CAL | HAL | 0.5° | 0.3° |
| HAL | CAL | CAR | HAR | 0.3° | 0.0° |
| HAR | CAR | CAX | HAX | 0.1° | 0.0° |
| HAX | CAX | CAQ | HAQ | 0.1° | 0.0° |
| HAE | CAE | CAJ | HAJ | 0.1° | 0.2° |
| HAJ | CAJ | CAP | HAP | 0.2° | 0.1° |
| HAP | CAP | CAW | HAW | 0.1° | 0.0° |
| HAW | CAW | CAO | HAO | 0.4° | 0.0° |
