3TZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.32Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.46Å | 1.46Å | |
| N | CAY | sing | 1.35Å | 1.30Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| NAA | C2 | sing | 1.37Å | 1.39Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | SAV | sing | 1.76Å | 1.65Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.39Å | |
| C5 | CBG | sing | 1.47Å | 1.43Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.33Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OE2 | CD | doub | 1.21Å | 1.26Å | |
| CD | CG | sing | 1.51Å | 1.53Å | |
| CD | OE1 | sing | 1.34Å | 1.28Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAY | OAD | doub | 1.22Å | 1.24Å | |
| CAN | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.37Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CBD | CAI | doub | 1.37Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAL | doub | 1.38Å | 1.35Å | Aromatic |
| CAJ | CBA | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CBA | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CBB | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBB | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CBE | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| NAT | CAQ | sing | 1.47Å | 1.39Å | |
| CAQ | CBD | sing | 1.51Å | 1.51Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAT | CBA | sing | 1.39Å | 1.29Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| SAV | CBE | sing | 1.76Å | 1.78Å | Aromatic |
| CBB | CAY | sing | 1.47Å | 1.47Å | |
| CBG | CBD | sing | 1.41Å | 1.42Å | Aromatic |
| CBG | CBE | doub | 1.39Å | 1.39Å | Aromatic |
| OE1 | HOE1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 129.4° | 119.9° |
| OXT | C | CA | 122.5° | 120.0° |
| O | C | CA | 107.7° | 120.1° |
| C | O | HO | 109.5° | 117.0° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | CB | 103.4° | 109.4° |
| C | CA | HA | 115.0° | 109.5° |
| CA | N | CAY | 125.1° | 120.0° |
| CA | N | HN | 117.5° | 120.1° |
| N | CA | CB | 112.8° | 109.5° |
| N | CA | HA | 105.9° | 109.5° |
| CAY | N | HN | 117.5° | 119.9° |
| N | CAY | OAD | 128.4° | 120.0° |
| N | CAY | CBB | 107.2° | 120.0° |
| C2 | N1 | C6 | 119.3° | 120.2° |
| C2 | N1 | HN1 | 120.4° | 119.9° |
| N1 | C2 | NAA | 120.1° | 119.3° |
| N1 | C2 | N3 | 124.9° | 121.6° |
| C6 | N1 | HN1 | 120.3° | 119.9° |
| N1 | C6 | C5 | 122.3° | 118.8° |
| N1 | C6 | O6 | 109.4° | 120.6° |
| NAA | C2 | N3 | 115.1° | 119.2° |
| C2 | NAA | HNAA | 120.0° | 120.0° |
| C2 | NAA | HNAB | 120.0° | 120.0° |
| C2 | N3 | C4 | 115.2° | 121.6° |
| N3 | C4 | C5 | 124.5° | 119.5° |
| N3 | C4 | SAV | 121.8° | 129.9° |
| C5 | C4 | SAV | 113.6° | 110.6° |
| C4 | C5 | C6 | 113.2° | 118.3° |
| C4 | C5 | CBG | 111.5° | 113.0° |
| C4 | SAV | CBE | 92.2° | 93.0° |
| C6 | C5 | CBG | 135.3° | 128.6° |
| C5 | C6 | O6 | 128.1° | 120.6° |
| C5 | CBG | CBD | 133.6° | 128.1° |
| C5 | CBG | CBE | 111.9° | 112.7° |
| CB | CA | HA | 111.1° | 109.5° |
| CA | CB | CG | 119.3° | 109.4° |
| CA | CB | HB | 106.3° | 109.5° |
| CA | CB | HBA | 106.3° | 109.5° |
| CG | CB | HB | 106.3° | 109.5° |
| CG | CB | HBA | 106.3° | 109.5° |
| CB | CG | CD | 104.4° | 109.5° |
| CB | CG | HG | 111.2° | 109.4° |
| CB | CG | HGA | 111.2° | 109.5° |
| HB | CB | HBA | 112.4° | 109.5° |
| OE2 | CD | CG | 114.4° | 120.0° |
| OE2 | CD | OE1 | 127.3° | 119.9° |
| CG | CD | OE1 | 117.9° | 120.0° |
| CD | CG | HG | 111.2° | 109.5° |
| CD | CG | HGA | 111.2° | 109.5° |
| CD | OE1 | HOE1 | 109.5° | 117.0° |
| HG | CG | HGA | 107.7° | 109.5° |
| HNAA | NAA | HNAB | 120.0° | 120.0° |
| OAD | CAY | CBB | 124.1° | 120.0° |
| CAN | CAH | CAI | 122.4° | 120.1° |
| CAN | CAH | HAH | 118.8° | 120.0° |
| CAH | CAN | CBE | 111.8° | 120.5° |
| CAH | CAN | HAN | 124.1° | 119.7° |
| CAI | CAH | HAH | 118.8° | 119.9° |
| CAH | CAI | CBD | 123.5° | 120.2° |
| CAH | CAI | HAI | 118.3° | 119.9° |
| CBD | CAI | HAI | 118.2° | 119.9° |
| CAI | CBD | CAQ | 112.7° | 119.8° |
| CAI | CBD | CBG | 118.1° | 120.4° |
| CAL | CAJ | CBA | 116.3° | 120.0° |
| CAL | CAJ | HAJ | 121.9° | 120.0° |
| CAJ | CAL | CBB | 118.0° | 120.0° |
| CAJ | CAL | HAL | 121.0° | 120.0° |
| CBA | CAJ | HAJ | 121.8° | 120.0° |
| CAJ | CBA | CAK | 126.1° | 120.2° |
| CAJ | CBA | NAT | 117.4° | 119.9° |
| CBA | CAK | CAM | 116.7° | 120.1° |
| CBA | CAK | HAK | 121.6° | 120.0° |
| CAK | CBA | NAT | 116.5° | 119.9° |
| CAM | CAK | HAK | 121.7° | 120.0° |
| CAK | CAM | CBB | 116.8° | 119.9° |
| CAK | CAM | HAM | 121.6° | 120.1° |
| CBB | CAL | HAL | 121.0° | 120.0° |
| CAL | CBB | CAM | 126.1° | 119.8° |
| CAL | CBB | CAY | 114.3° | 120.1° |
| CBB | CAM | HAM | 121.6° | 120.0° |
| CAM | CBB | CAY | 119.6° | 120.1° |
| CBE | CAN | HAN | 124.1° | 119.8° |
| CAN | CBE | SAV | 119.8° | 129.7° |
| CAN | CBE | CBG | 129.7° | 119.7° |
| NAT | CAQ | CBD | 113.5° | 109.5° |
| NAT | CAQ | HAQ | 108.1° | 109.5° |
| NAT | CAQ | HAQA | 108.1° | 109.4° |
| CAQ | NAT | CBA | 109.8° | 120.0° |
| CAQ | NAT | HNAT | 109.4° | 120.0° |
| CBD | CAQ | HAQ | 108.1° | 109.4° |
| CBD | CAQ | HAQA | 108.1° | 109.5° |
| CAQ | CBD | CBG | 129.2° | 119.8° |
| HAQ | CAQ | HAQA | 110.8° | 109.5° |
| CBA | NAT | HNAT | 109.4° | 120.0° |
| SAV | CBE | CBG | 110.5° | 110.7° |
| CBD | CBG | CBE | 114.3° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 172.5° | 179.8° |
| OXT | C | CA | N | 15.0° | 0.2° |
| OXT | C | O | HO | 0.0° | 0.2° |
| OXT | C | CA | CB | 105.2° | 120.2° |
| OXT | C | CA | HA | 133.5° | 119.8° |
| O | C | CA | N | 171.9° | 180.0° |
| O | C | CA | CB | 68.0° | 60.0° |
| O | C | CA | HA | 53.3° | 60.0° |
| C | CA | N | CB | 114.2° | 120.0° |
| C | CA | N | HA | 124.1° | 120.0° |
| C | CA | N | CAY | 120.4° | 85.0° |
| C | CA | N | HN | 59.6° | 95.0° |
| CA | C | O | HO | 172.5° | 180.0° |
| C | CA | CB | HA | 123.8° | 120.0° |
| C | CA | CB | CG | 138.9° | 175.0° |
| C | CA | CB | HB | 19.0° | 65.1° |
| C | CA | CB | HBA | 101.0° | 55.0° |
| CA | N | CAY | HN | 180.0° | 180.0° |
| N | CA | CB | HA | 118.8° | 120.0° |
| N | CA | CB | CG | 21.5° | 65.0° |
| N | CA | CB | HB | 98.4° | 54.9° |
| N | CA | CB | HBA | 141.6° | 175.0° |
| CA | N | CAY | OAD | 4.3° | 0.0° |
| CA | N | CAY | CBB | 178.4° | 179.9° |
| CAY | N | CA | CB | 125.4° | 155.0° |
| CAY | N | CA | HA | 3.7° | 35.0° |
| N | CAY | OAD | CBB | 173.2° | 180.0° |
| N | CAY | CBB | CAL | 12.3° | 180.0° |
| N | CAY | CBB | CAM | 168.7° | 0.1° |
| HN | N | CA | CB | 54.6° | 25.0° |
| HN | N | CA | HA | 176.3° | 145.0° |
| HN | N | CAY | OAD | 175.7° | 180.0° |
| HN | N | CAY | CBB | 1.6° | 0.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.8° |
| N1 | C2 | NAA | N3 | 179.7° | 179.9° |
| N1 | C2 | N3 | C4 | 4.4° | 0.0° |
| C2 | N1 | C6 | C5 | 8.0° | 0.0° |
| C2 | N1 | C6 | O6 | 177.3° | 179.7° |
| N1 | C2 | NAA | HNAA | 179.7° | 0.0° |
| N1 | C2 | NAA | HNAB | 0.3° | 180.0° |
| C6 | N1 | C2 | NAA | 179.1° | 179.9° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| N1 | C6 | C5 | C4 | 9.2° | 0.0° |
| N1 | C6 | C5 | O6 | 173.6° | 179.7° |
| N1 | C6 | C5 | CBG | 174.5° | 180.0° |
| HN1 | N1 | C2 | NAA | 0.9° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.4° | 179.8° |
| HN1 | N1 | C6 | C5 | 172.0° | 179.8° |
| HN1 | N1 | C6 | O6 | 2.6° | 0.1° |
| NAA | C2 | N3 | C4 | 175.9° | 180.0° |
| C2 | NAA | HNAA | HNAB | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 2.5° | 0.0° |
| C2 | N3 | C4 | SAV | 179.7° | 180.0° |
| N3 | C2 | NAA | HNAA | 0.0° | 180.0° |
| N3 | C2 | NAA | HNAB | 180.0° | 0.1° |
| N3 | C4 | C5 | SAV | 177.4° | 180.0° |
| N3 | C4 | C5 | C6 | 3.9° | 0.0° |
| N3 | C4 | C5 | CBG | 178.9° | 180.0° |
| N3 | C4 | SAV | CBE | 177.6° | 180.0° |
| C4 | C5 | C6 | CBG | 176.3° | 180.0° |
| C4 | C5 | C6 | O6 | 177.2° | 179.7° |
| C5 | C4 | SAV | CBE | 4.9° | 0.0° |
| C4 | C5 | CBG | CBD | 175.1° | 180.0° |
| C4 | C5 | CBG | CBE | 0.2° | 0.0° |
| SAV | C4 | C5 | C6 | 173.5° | 180.0° |
| SAV | C4 | C5 | CBG | 3.7° | 0.0° |
| C4 | SAV | CBE | CAN | 175.4° | 180.0° |
| C4 | SAV | CBE | CBG | 5.0° | 0.0° |
| C6 | C5 | CBG | CBD | 1.2° | 0.0° |
| C6 | C5 | CBG | CBE | 176.5° | 180.0° |
| CBG | C5 | C6 | O6 | 0.9° | 0.3° |
| C5 | CBG | CBD | CAI | 179.2° | 180.0° |
| C5 | CBG | CBE | CAN | 176.7° | 180.0° |
| C5 | CBG | CBD | CAQ | 0.0° | 0.1° |
| C5 | CBG | CBE | SAV | 3.6° | 0.0° |
| C5 | CBG | CBD | CBE | 175.2° | 180.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 115.9° | 120.0° |
| CA | CB | CG | CD | 126.3° | 180.0° |
| CA | CB | CG | HG | 6.3° | 60.0° |
| CA | CB | CG | HGA | 113.7° | 60.0° |
| HA | CA | CB | CG | 97.2° | 55.0° |
| HA | CA | CB | HB | 142.8° | 175.0° |
| HA | CA | CB | HBA | 22.8° | 64.9° |
| CG | CB | HB | HBA | 116.0° | 120.0° |
| CB | CG | CD | OE2 | 109.1° | 0.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | OE1 | 64.4° | 180.0° |
| CB | CG | HG | HGA | 122.1° | 120.0° |
| HB | CB | CG | CD | 113.7° | 60.0° |
| HB | CB | CG | HG | 126.3° | 180.0° |
| HB | CB | CG | HGA | 6.3° | 60.0° |
| HBA | CB | CG | CD | 6.3° | 60.0° |
| HBA | CB | CG | HG | 113.7° | 60.0° |
| HBA | CB | CG | HGA | 126.3° | 179.9° |
| OE2 | CD | CG | OE1 | 173.5° | 180.0° |
| OE2 | CD | CG | HG | 130.9° | 120.0° |
| OE2 | CD | CG | HGA | 10.9° | 120.0° |
| OE2 | CD | OE1 | HOE1 | 0.0° | 0.1° |
| CD | CG | HG | HGA | 122.1° | 120.0° |
| CG | CD | OE1 | HOE1 | 172.6° | 180.0° |
| OE1 | CD | CG | HG | 55.6° | 60.1° |
| OE1 | CD | CG | HGA | 175.6° | 59.9° |
| OAD | CAY | CBB | CAL | 162.1° | 0.0° |
| OAD | CAY | CBB | CAM | 16.9° | 180.0° |
| CAN | CAH | CAI | HAH | 180.0° | 179.9° |
| CAN | CAH | CAI | CBD | 1.3° | 0.1° |
| CAN | CAH | CAI | HAI | 178.7° | 180.0° |
| CAH | CAN | CBE | HAN | 180.0° | 179.9° |
| CAH | CAN | CBE | SAV | 174.7° | 180.0° |
| CAH | CAN | CBE | CBG | 4.9° | 0.0° |
| CAH | CAI | CBD | HAI | 180.0° | 179.9° |
| CAI | CAH | CAN | CBE | 1.6° | 0.0° |
| CAI | CAH | CAN | HAN | 178.4° | 179.9° |
| CAH | CAI | CBD | CAQ | 177.3° | 180.0° |
| CAH | CAI | CBD | CBG | 3.4° | 0.1° |
| HAH | CAH | CAI | CBD | 178.7° | 180.0° |
| HAH | CAH | CAI | HAI | 1.3° | 0.1° |
| HAH | CAH | CAN | CBE | 178.4° | 179.9° |
| HAH | CAH | CAN | HAN | 1.6° | 0.0° |
| CAI | CBD | CAQ | NAT | 134.6° | 0.9° |
| CAI | CBD | CAQ | CBG | 179.2° | 179.9° |
| CAI | CBD | CAQ | HAQ | 105.4° | 119.1° |
| CAI | CBD | CAQ | HAQA | 14.6° | 120.9° |
| CAI | CBD | CBG | CBE | 5.6° | 0.1° |
| HAI | CAI | CBD | CAQ | 2.7° | 0.1° |
| HAI | CAI | CBD | CBG | 176.6° | 180.0° |
| CAL | CAJ | CBA | HAJ | 180.0° | 179.8° |
| CAL | CAJ | CBA | CAK | 0.7° | 0.0° |
| CAJ | CAL | CBB | HAL | 180.0° | 180.0° |
| CAJ | CAL | CBB | CAM | 1.6° | 0.0° |
| CAL | CAJ | CBA | NAT | 179.2° | 180.0° |
| CAJ | CAL | CBB | CAY | 179.4° | 179.9° |
| CAJ | CBA | CAK | NAT | 178.4° | 180.0° |
| CAJ | CBA | CAK | CAM | 1.8° | 0.0° |
| CAJ | CBA | CAK | HAK | 178.2° | 180.0° |
| CBA | CAJ | CAL | CBB | 0.9° | 0.0° |
| CBA | CAJ | CAL | HAL | 179.1° | 180.0° |
| CAJ | CBA | NAT | CAQ | 154.7° | 180.0° |
| CAJ | CBA | NAT | HNAT | 85.3° | 0.1° |
| HAJ | CAJ | CBA | CAK | 179.3° | 179.8° |
| HAJ | CAJ | CAL | CBB | 179.1° | 179.8° |
| HAJ | CAJ | CAL | HAL | 0.9° | 0.2° |
| HAJ | CAJ | CBA | NAT | 0.8° | 0.2° |
| CBA | CAK | CAM | HAK | 180.0° | 180.0° |
| CBA | CAK | CAM | CBB | 1.1° | 0.0° |
| CBA | CAK | CAM | HAM | 178.9° | 180.0° |
| CAK | CBA | NAT | CAQ | 26.7° | 0.0° |
| CAK | CBA | NAT | HNAT | 93.3° | 180.0° |
| CAK | CAM | CBB | CAL | 0.5° | 0.0° |
| CAK | CAM | CBB | HAM | 180.0° | 180.0° |
| CAM | CAK | CBA | NAT | 179.7° | 180.0° |
| CAK | CAM | CBB | CAY | 179.4° | 179.9° |
| HAK | CAK | CAM | CBB | 178.9° | 180.0° |
| HAK | CAK | CAM | HAM | 1.1° | 0.1° |
| HAK | CAK | CBA | NAT | 0.2° | 0.0° |
| CAL | CBB | CAM | CAY | 179.0° | 179.9° |
| CAL | CBB | CAM | HAM | 179.5° | 180.0° |
| HAL | CAL | CBB | CAM | 178.4° | 180.0° |
| HAL | CAL | CBB | CAY | 0.6° | 0.1° |
| HAM | CAM | CBB | CAY | 0.6° | 0.0° |
| CAN | CBE | SAV | CBG | 179.7° | 180.0° |
| CAN | CBE | CBG | CBD | 7.0° | 0.0° |
| HAN | CAN | CBE | SAV | 5.3° | 0.1° |
| HAN | CAN | CBE | CBG | 175.1° | 180.0° |
| NAT | CAQ | CBD | HAQ | 120.0° | 120.0° |
| NAT | CAQ | CBD | HAQA | 120.0° | 120.0° |
| NAT | CAQ | HAQ | HAQA | 118.3° | 120.0° |
| CAQ | NAT | CBA | HNAT | 120.0° | 180.0° |
| NAT | CAQ | CBD | CBG | 44.6° | 179.0° |
| CBD | CAQ | HAQ | HAQA | 118.3° | 120.0° |
| CBD | CAQ | NAT | CBA | 83.4° | 173.9° |
| CBD | CAQ | NAT | HNAT | 156.5° | 6.1° |
| CAQ | CBD | CBG | CBE | 175.2° | 180.0° |
| HAQ | CAQ | NAT | CBA | 156.6° | 53.9° |
| HAQ | CAQ | NAT | HNAT | 36.5° | 126.0° |
| HAQ | CAQ | CBD | CBG | 75.4° | 61.0° |
| HAQA | CAQ | NAT | CBA | 36.6° | 66.1° |
| HAQA | CAQ | NAT | HNAT | 83.5° | 114.0° |
| HAQA | CAQ | CBD | CBG | 164.6° | 59.0° |
| SAV | CBE | CBG | CBD | 172.6° | 180.0° |
