4J4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CB | SG | sing | 1.81Å | 1.81Å | |
| CAP | CAQ | sing | 1.51Å | 1.39Å | |
| CAP | NAO | sing | 1.46Å | 1.47Å | |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.51Å | 1.53Å | |
| CAM | SG | sing | 1.81Å | 1.83Å | |
| CAL | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | OAF | doub | 1.21Å | 1.23Å | |
| CAN | NAO | sing | 1.35Å | 1.34Å | |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.48Å | 1.39Å | |
| CAJ | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | FAA | sing | 1.35Å | 1.36Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | FAE | sing | 1.35Å | 1.36Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAQ | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAN | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 24.35Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 110.8° | 109.4° |
| N | CA | CB | 109.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H1 | 109.4° | 111.0° |
| N | CA | HA | 109.5° | 109.5° |
| C | CA | CB | 109.8° | 109.5° |
| CA | C | O | 120.6° | 120.1° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | OXT | 93.4° | 120.0° |
| CA | CB | SG | 109.8° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB1 | 109.4° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.5° |
| O | C | OXT | 98.4° | 120.0° |
| CB | SG | CAM | 99.9° | 103.0° |
| SG | CB | HB1 | 109.4° | 109.5° |
| SG | CB | HB2 | 109.4° | 109.5° |
| CAQ | CAP | NAO | 109.7° | 109.5° |
| CAP | CAQ | CAR | 120.1° | 119.9° |
| CAP | CAQ | CAG | 119.8° | 119.9° |
| CAQ | CAP | HAP | 109.4° | 109.5° |
| CAQ | CAP | HAQ | 109.4° | 109.5° |
| CAP | NAO | CAN | 122.2° | 120.0° |
| NAO | CAP | HAP | 109.4° | 109.5° |
| NAO | CAP | HAQ | 109.4° | 109.5° |
| CAP | NAO | HAO | 118.9° | 120.0° |
| CAR | CAQ | CAG | 120.0° | 120.3° |
| CAQ | CAR | CAS | 120.0° | 120.1° |
| CAQ | CAR | HAR | 120.0° | 119.9° |
| CAQ | CAG | CAH | 119.9° | 120.1° |
| CAQ | CAG | HAG | 120.0° | 119.9° |
| CAR | CAS | CAI | 119.9° | 119.8° |
| CAR | CAS | HAS | 120.1° | 120.0° |
| CAS | CAR | HAR | 120.0° | 119.9° |
| CAS | CAI | CAH | 120.1° | 119.8° |
| CAS | CAI | CAJ | 120.1° | 120.1° |
| CAI | CAS | HAS | 120.0° | 120.1° |
| CAN | CAM | SG | 109.7° | 109.5° |
| CAM | CAN | OAF | 121.1° | 120.0° |
| CAM | CAN | NAO | 114.8° | 120.0° |
| CAN | CAM | HAM | 109.4° | 109.5° |
| CAN | CAM | HAN | 109.4° | 109.4° |
| SG | CAM | HAM | 109.4° | 109.5° |
| SG | CAM | HAN | 109.4° | 109.4° |
| CAD | CAL | CAK | 120.1° | 120.2° |
| CAL | CAD | CAC | 119.9° | 120.2° |
| CAL | CAD | FAE | 119.9° | 119.9° |
| CAD | CAL | HAL | 120.0° | 119.9° |
| CAL | CAK | CAJ | 119.9° | 119.9° |
| CAK | CAL | HAL | 120.0° | 119.9° |
| CAL | CAK | HAK | 120.0° | 120.0° |
| OAF | CAN | NAO | 124.1° | 120.0° |
| CAN | NAO | HAO | 118.9° | 120.0° |
| CAG | CAH | CAI | 120.0° | 119.9° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | HAH | 120.0° | 120.1° |
| CAH | CAI | CAJ | 119.8° | 120.1° |
| CAI | CAH | HAH | 120.0° | 120.1° |
| CAI | CAJ | CAB | 119.9° | 120.1° |
| CAI | CAJ | CAK | 119.8° | 120.1° |
| CAB | CAJ | CAK | 120.1° | 119.8° |
| CAJ | CAB | FAA | 120.0° | 120.1° |
| CAJ | CAB | CAC | 120.0° | 119.8° |
| CAJ | CAK | HAK | 120.0° | 120.1° |
| FAA | CAB | CAC | 120.0° | 120.0° |
| CAB | CAC | CAD | 120.0° | 120.1° |
| CAB | CAC | HAC | 120.0° | 120.0° |
| CAC | CAD | FAE | 120.1° | 119.9° |
| CAD | CAC | HAC | 120.0° | 119.9° |
| H | N | H1 | 109.5° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HAP | CAP | HAQ | 109.5° | 109.5° |
| HAM | CAM | HAN | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 121.2° | 120.0° |
| N | CA | C | HA | 120.3° | 120.0° |
| N | CA | CB | HA | 119.5° | 120.0° |
| N | CA | C | O | 146.6° | 20.0° |
| N | CA | CB | SG | 130.5° | 60.0° |
| CA | N | H | H1 | 120.0° | 123.9° |
| N | CA | CB | HB1 | 109.4° | 60.0° |
| N | CA | CB | HB2 | 10.5° | 179.9° |
| N | CA | C | OXT | 44.7° | 160.0° |
| C | CA | CB | HA | 118.5° | 120.0° |
| CA | C | O | OXT | 99.1° | 180.0° |
| C | CA | CB | SG | 8.5° | 180.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H1 | 60.0° | 60.0° |
| C | CA | CB | HB1 | 128.6° | 60.0° |
| C | CA | CB | HB2 | 111.5° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | C | O | 92.2° | 100.0° |
| CA | CB | SG | HB1 | 120.0° | 120.0° |
| CA | CB | SG | HB2 | 120.1° | 120.1° |
| CA | CB | SG | CAM | 81.9° | 180.0° |
| CB | CA | N | H | 58.6° | 176.1° |
| CB | CA | N | H1 | 178.6° | 60.0° |
| CA | CB | HB1 | HB2 | 119.9° | 120.0° |
| CB | CA | C | OXT | 165.9° | 80.0° |
| O | C | CA | HA | 26.3° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CB | SG | CAM | CAN | 87.5° | 180.0° |
| SG | CB | CA | HA | 110.0° | 60.1° |
| SG | CB | HB1 | HB2 | 119.8° | 120.0° |
| CB | SG | CAM | HAM | 32.6° | 60.0° |
| CB | SG | CAM | HAN | 152.5° | 60.1° |
| CAQ | CAP | NAO | HAP | 120.0° | 120.0° |
| CAQ | CAP | NAO | HAQ | 120.0° | 120.0° |
| CAP | CAQ | CAR | CAG | 179.2° | 179.7° |
| CAP | CAQ | CAR | CAS | 178.9° | 179.9° |
| CAQ | CAP | NAO | CAN | 60.5° | 180.0° |
| CAP | CAQ | CAG | CAH | 179.1° | 180.0° |
| CAQ | CAP | HAP | HAQ | 119.9° | 120.0° |
| CAP | CAQ | CAR | HAR | 1.1° | 0.0° |
| CAQ | CAP | NAO | HAO | 119.5° | 0.1° |
| CAP | CAQ | CAG | HAG | 0.9° | 0.0° |
| NAO | CAP | CAQ | CAR | 23.2° | 90.0° |
| NAO | CAP | CAQ | CAG | 156.0° | 90.3° |
| CAP | NAO | CAN | CAM | 178.6° | 180.0° |
| CAP | NAO | CAN | OAF | 0.0° | 0.1° |
| CAP | NAO | CAN | HAO | 180.0° | 180.0° |
| NAO | CAP | HAP | HAQ | 119.9° | 120.0° |
| CAQ | CAR | CAS | HAR | 180.0° | 179.9° |
| CAQ | CAR | CAS | CAI | 0.3° | 0.1° |
| CAR | CAQ | CAG | CAH | 0.1° | 0.3° |
| CAR | CAQ | CAP | HAP | 143.2° | 150.0° |
| CAR | CAQ | CAP | HAQ | 96.8° | 30.0° |
| CAQ | CAR | CAS | HAS | 179.7° | 180.0° |
| CAR | CAQ | CAG | HAG | 179.9° | 179.7° |
| CAG | CAQ | CAR | CAS | 0.3° | 0.3° |
| CAQ | CAG | CAH | HAG | 180.0° | 180.0° |
| CAQ | CAG | CAH | CAI | 0.2° | 0.0° |
| CAG | CAQ | CAP | HAP | 36.0° | 29.7° |
| CAG | CAQ | CAP | HAQ | 83.9° | 149.7° |
| CAG | CAQ | CAR | HAR | 179.7° | 179.8° |
| CAQ | CAG | CAH | HAH | 179.8° | 180.0° |
| CAR | CAS | CAI | HAS | 180.0° | 179.9° |
| CAR | CAS | CAI | CAH | 0.0° | 0.2° |
| CAR | CAS | CAI | CAJ | 179.9° | 180.0° |
| CAS | CAI | CAH | CAG | 0.2° | 0.3° |
| CAS | CAI | CAH | CAJ | 180.0° | 179.8° |
| CAS | CAI | CAJ | CAB | 93.3° | 130.0° |
| CAS | CAI | CAJ | CAK | 91.7° | 50.0° |
| CAI | CAS | CAR | HAR | 179.7° | 180.0° |
| CAS | CAI | CAH | HAH | 179.8° | 179.8° |
| CAN | CAM | SG | HAM | 120.0° | 120.0° |
| CAN | CAM | SG | HAN | 120.1° | 119.9° |
| CAM | CAN | OAF | NAO | 178.4° | 180.0° |
| CAN | CAM | HAM | HAN | 119.9° | 120.0° |
| CAM | CAN | NAO | HAO | 1.4° | 0.0° |
| SG | CAM | CAN | OAF | 118.5° | 0.0° |
| SG | CAM | CAN | NAO | 62.9° | 180.0° |
| CAM | SG | CB | HB1 | 38.2° | 60.0° |
| CAM | SG | CB | HB2 | 158.1° | 59.9° |
| SG | CAM | HAM | HAN | 119.9° | 120.0° |
| CAD | CAL | CAK | HAL | 180.0° | 179.7° |
| CAD | CAL | CAK | CAJ | 0.2° | 0.1° |
| CAL | CAD | CAC | CAB | 0.2° | 0.0° |
| CAL | CAD | CAC | FAE | 177.8° | 179.9° |
| CAL | CAD | CAC | HAC | 179.9° | 179.9° |
| CAD | CAL | CAK | HAK | 179.8° | 180.0° |
| CAL | CAK | CAJ | CAI | 174.7° | 180.0° |
| CAL | CAK | CAJ | CAB | 0.3° | 0.0° |
| CAL | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAK | CAL | CAD | CAC | 0.5° | 0.1° |
| CAK | CAL | CAD | FAE | 177.4° | 180.0° |
| OAF | CAN | CAM | HAM | 1.5° | 120.0° |
| OAF | CAN | CAM | HAN | 121.4° | 119.9° |
| OAF | CAN | NAO | HAO | 179.9° | 179.9° |
| CAN | NAO | CAP | HAP | 59.5° | 60.0° |
| CAN | NAO | CAP | HAQ | 179.5° | 60.0° |
| NAO | CAN | CAM | HAM | 177.0° | 60.0° |
| NAO | CAN | CAM | HAN | 57.1° | 60.0° |
| CAG | CAH | CAI | HAH | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 179.8° | 179.9° |
| CAH | CAI | CAJ | CAB | 86.7° | 49.8° |
| CAH | CAI | CAJ | CAK | 88.3° | 130.2° |
| CAH | CAI | CAS | HAS | 180.0° | 179.7° |
| CAI | CAH | CAG | HAG | 179.8° | 180.0° |
| CAI | CAJ | CAB | CAK | 175.0° | 180.0° |
| CAI | CAJ | CAB | FAA | 6.2° | 0.0° |
| CAI | CAJ | CAB | CAC | 174.4° | 180.0° |
| CAJ | CAI | CAS | HAS | 0.1° | 0.1° |
| CAJ | CAI | CAH | HAH | 0.2° | 0.0° |
| CAI | CAJ | CAK | HAK | 5.3° | 0.0° |
| CAJ | CAB | FAA | CAC | 179.5° | 180.0° |
| CAJ | CAB | CAC | CAD | 0.4° | 0.1° |
| CAJ | CAB | CAC | HAC | 179.6° | 180.0° |
| CAB | CAJ | CAK | HAK | 179.7° | 180.0° |
| CAK | CAJ | CAB | FAA | 178.9° | 180.0° |
| CAK | CAJ | CAB | CAC | 0.6° | 0.0° |
| CAJ | CAK | CAL | HAL | 179.8° | 179.8° |
| FAA | CAB | CAC | CAD | 179.1° | 180.0° |
| FAA | CAB | CAC | HAC | 0.9° | 0.0° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | FAE | 177.6° | 179.9° |
| CAC | CAD | CAL | HAL | 179.5° | 179.8° |
| FAE | CAD | CAL | HAL | 2.7° | 0.3° |
| FAE | CAD | CAC | HAC | 2.3° | 0.0° |
| H | N | CA | HA | 60.3° | 56.0° |
| H1 | N | CA | HA | 59.7° | 179.9° |
| HA | CA | CB | HB1 | 10.1° | 180.0° |
| HA | CA | CB | HB2 | 130.0° | 60.0° |
| HA | CA | C | OXT | 75.6° | 40.0° |
| HAP | CAP | NAO | HAO | 120.4° | 119.9° |
| HAQ | CAP | NAO | HAO | 0.5° | 120.1° |
| HAS | CAS | CAR | HAR | 0.3° | 0.1° |
| HAL | CAL | CAK | HAK | 0.2° | 0.3° |
| HAG | CAG | CAH | HAH | 0.2° | 0.0° |
