PRD_000466
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAS | sing | 1.47Å | 1.47Å | |
| NAS | CAZ | sing | 1.35Å | 1.33Å | |
| CAZ | OAG | doub | 1.22Å | 1.23Å | |
| CAZ | NH2 | sing | 1.35Å | 1.34Å | |
| NH2 | CZ | sing | 1.38Å | 1.33Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| CZ | NE | sing | 1.38Å | 1.33Å | |
| NE | CD | sing | 1.46Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| N | CAW | sing | 1.35Å | 1.33Å | |
| CAW | CAB | sing | 1.51Å | 1.53Å | |
| CAW | OAE | doub | 1.21Å | 1.23Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | NBE | sing | 1.35Å | 1.33Å | |
| NBE | CAC | sing | 1.46Å | 1.47Å | |
| NBE | CBD | sing | 1.46Å | 1.47Å | |
| CBD | CAY | sing | 1.51Å | 1.53Å | |
| CBD | CAR | sing | 1.53Å | 1.53Å | |
| CAY | OAI | sing | 1.34Å | 1.25Å | |
| CAY | OAF | doub | 1.21Å | 1.25Å | |
| CAR | CBB | sing | 1.51Å | 1.53Å | |
| CBB | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CBB | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| NH2 | HNH2 | sing | 0.97Å | 1.00Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| OAI | HOA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | NAS | CAZ | 117.9° | 120.0° |
| NAS | CAA | HAA | 109.5° | 109.5° |
| NAS | CAA | HAAA | 109.4° | 109.4° |
| NAS | CAA | HAAB | 109.5° | 109.4° |
| CAA | NAS | HNAS | 121.0° | 120.0° |
| NAS | CAZ | OAG | 122.1° | 120.0° |
| NAS | CAZ | NH2 | 116.6° | 120.0° |
| CAZ | NAS | HNAS | 121.1° | 120.0° |
| OAG | CAZ | NH2 | 121.2° | 120.1° |
| CAZ | NH2 | CZ | 126.7° | 120.0° |
| CAZ | NH2 | HNH2 | 116.6° | 120.0° |
| NH2 | CZ | NH1 | 121.9° | 120.0° |
| NH2 | CZ | NE | 118.4° | 120.0° |
| CZ | NH2 | HNH2 | 116.7° | 120.0° |
| NH1 | CZ | NE | 119.6° | 120.0° |
| CZ | NH1 | HNH1 | 112.0° | 120.0° |
| CZ | NE | CD | 123.4° | 120.0° |
| CZ | NE | HNE | 118.3° | 120.0° |
| NE | CD | CG | 112.0° | 109.4° |
| CD | NE | HNE | 118.3° | 120.0° |
| NE | CD | HD | 108.6° | 109.5° |
| NE | CD | HDA | 108.6° | 109.5° |
| CD | CG | CB | 111.1° | 109.5° |
| CG | CD | HD | 108.6° | 109.4° |
| CG | CD | HDA | 108.6° | 109.4° |
| CD | CG | HG | 108.9° | 109.4° |
| CD | CG | HGA | 108.9° | 109.5° |
| CG | CB | CA | 113.6° | 109.5° |
| CB | CG | HG | 108.9° | 109.5° |
| CB | CG | HGA | 108.9° | 109.5° |
| CG | CB | HB | 108.1° | 109.4° |
| CG | CB | HBA | 108.1° | 109.4° |
| CB | CA | N | 112.3° | 109.5° |
| CB | CA | C | 112.5° | 109.5° |
| CA | CB | HB | 108.1° | 109.5° |
| CA | CB | HBA | 108.1° | 109.5° |
| CB | CA | HA | 105.7° | 109.5° |
| N | CA | C | 110.7° | 109.5° |
| CA | N | CAW | 123.3° | 120.0° |
| N | CA | HA | 107.7° | 109.5° |
| CA | N | HN | 118.3° | 120.0° |
| CA | C | O | 119.8° | 120.0° |
| CA | C | NBE | 117.7° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| N | CAW | CAB | 116.0° | 120.0° |
| N | CAW | OAE | 123.8° | 120.0° |
| CAW | N | HN | 118.4° | 120.0° |
| CAB | CAW | OAE | 120.2° | 120.0° |
| CAW | CAB | HAB | 109.5° | 109.5° |
| CAW | CAB | HABA | 109.5° | 109.5° |
| CAW | CAB | HABB | 109.5° | 109.5° |
| O | C | NBE | 122.5° | 120.0° |
| C | NBE | CAC | 117.9° | 119.9° |
| C | NBE | CBD | 119.6° | 120.0° |
| CAC | NBE | CBD | 122.3° | 120.0° |
| NBE | CAC | HAC | 109.5° | 109.5° |
| NBE | CAC | HACA | 109.4° | 109.4° |
| NBE | CAC | HACB | 109.5° | 109.5° |
| NBE | CBD | CAY | 107.3° | 109.4° |
| NBE | CBD | CAR | 110.1° | 109.5° |
| NBE | CBD | HBD | 110.8° | 109.5° |
| CAY | CBD | CAR | 110.4° | 109.5° |
| CBD | CAY | OAI | 116.9° | 120.0° |
| CBD | CAY | OAF | 117.4° | 120.0° |
| CAY | CBD | HBD | 110.5° | 109.4° |
| CBD | CAR | CBB | 110.7° | 109.5° |
| CAR | CBD | HBD | 107.7° | 109.5° |
| CBD | CAR | HAR | 109.1° | 109.5° |
| CBD | CAR | HARA | 109.1° | 109.5° |
| OAI | CAY | OAF | 125.7° | 120.0° |
| CAY | OAI | HOA | 109.5° | 117.1° |
| CAR | CBB | CAM | 119.9° | 120.0° |
| CAR | CBB | CAN | 120.1° | 120.0° |
| CBB | CAR | HAR | 109.1° | 109.5° |
| CBB | CAR | HARA | 109.1° | 109.5° |
| CAM | CBB | CAN | 120.0° | 120.0° |
| CBB | CAM | CAK | 120.2° | 120.0° |
| CBB | CAM | HAM | 119.9° | 120.0° |
| CBB | CAN | CAL | 119.7° | 120.0° |
| CBB | CAN | HAN | 120.2° | 120.0° |
| CAM | CAK | CAJ | 119.8° | 120.0° |
| CAK | CAM | HAM | 119.9° | 120.0° |
| CAM | CAK | HAK | 120.1° | 120.0° |
| CAK | CAJ | CAL | 119.9° | 120.0° |
| CAJ | CAK | HAK | 120.1° | 120.0° |
| CAK | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | CAN | 120.3° | 120.0° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | HAL | 119.8° | 119.9° |
| CAN | CAL | HAL | 119.8° | 120.0° |
| CAL | CAN | HAN | 120.2° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HD | CD | HDA | 110.3° | 109.5° |
| HG | CG | HGA | 110.0° | 109.5° |
| HB | CB | HBA | 110.8° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HAR | CAR | HARA | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | NAS | CAZ | HNAS | 180.0° | 179.9° |
| CAA | NAS | CAZ | OAG | 2.9° | 0.1° |
| CAA | NAS | CAZ | NH2 | 178.9° | 180.0° |
| NAS | CAA | HAA | HAAA | 120.0° | 120.0° |
| NAS | CAA | HAA | HAAB | 120.0° | 119.9° |
| NAS | CAA | HAAA | HAAB | 120.0° | 120.0° |
| NAS | CAZ | OAG | NH2 | 175.8° | 179.9° |
| NAS | CAZ | NH2 | CZ | 179.8° | 180.0° |
| CAZ | NAS | CAA | HAA | 180.0° | 59.9° |
| CAZ | NAS | CAA | HAAA | 60.0° | 179.9° |
| CAZ | NAS | CAA | HAAB | 60.0° | 60.0° |
| NAS | CAZ | NH2 | HNH2 | 0.2° | 0.0° |
| OAG | CAZ | NH2 | CZ | 3.8° | 0.0° |
| OAG | CAZ | NAS | HNAS | 177.1° | 180.0° |
| OAG | CAZ | NH2 | HNH2 | 176.2° | 179.9° |
| CAZ | NH2 | CZ | HNH2 | 180.0° | 179.9° |
| CAZ | NH2 | CZ | NH1 | 7.3° | 0.0° |
| CAZ | NH2 | CZ | NE | 177.5° | 180.0° |
| NH2 | CAZ | NAS | HNAS | 1.1° | 0.1° |
| NH2 | CZ | NH1 | NE | 175.2° | 180.0° |
| NH2 | CZ | NE | CD | 178.4° | 180.0° |
| NH2 | CZ | NH1 | HNH1 | 175.2° | 180.0° |
| NH2 | CZ | NE | HNE | 1.6° | 0.0° |
| NH1 | CZ | NE | CD | 6.3° | 0.0° |
| NH1 | CZ | NH2 | HNH2 | 172.7° | 179.9° |
| NH1 | CZ | NE | HNE | 173.7° | 180.0° |
| CZ | NE | CD | HNE | 180.0° | 180.0° |
| CZ | NE | CD | CG | 78.8° | 180.0° |
| NE | CZ | NH2 | HNH2 | 2.5° | 0.1° |
| NE | CZ | NH1 | HNH1 | 0.0° | 0.0° |
| CZ | NE | CD | HD | 161.2° | 60.1° |
| CZ | NE | CD | HDA | 41.2° | 60.0° |
| NE | CD | CG | HD | 120.0° | 120.0° |
| NE | CD | CG | HDA | 120.0° | 120.0° |
| NE | CD | CG | CB | 55.0° | 180.0° |
| NE | CD | HD | HDA | 119.0° | 120.1° |
| NE | CD | CG | HG | 175.0° | 60.0° |
| NE | CD | CG | HGA | 65.0° | 60.0° |
| CD | CG | CB | HG | 120.0° | 120.0° |
| CD | CG | CB | HGA | 120.0° | 120.0° |
| CD | CG | CB | CA | 177.8° | 180.0° |
| CG | CD | NE | HNE | 101.2° | 0.0° |
| CG | CD | HD | HDA | 118.9° | 120.0° |
| CD | CG | HG | HGA | 119.3° | 120.0° |
| CD | CG | CB | HB | 57.8° | 60.0° |
| CD | CG | CB | HBA | 62.3° | 60.0° |
| CG | CB | CA | HB | 120.0° | 120.0° |
| CG | CB | CA | HBA | 120.0° | 119.9° |
| CG | CB | CA | N | 41.0° | 65.0° |
| CG | CB | CA | C | 84.7° | 175.0° |
| CB | CG | CD | HD | 65.0° | 60.0° |
| CB | CG | CD | HDA | 175.0° | 60.0° |
| CB | CG | HG | HGA | 119.4° | 120.0° |
| CG | CB | HB | HBA | 118.3° | 120.0° |
| CG | CB | CA | HA | 158.3° | 55.0° |
| CB | CA | N | C | 126.7° | 120.0° |
| CB | CA | N | HA | 116.0° | 120.0° |
| CB | CA | C | HA | 116.0° | 120.0° |
| CB | CA | N | CAW | 163.1° | 60.0° |
| CB | CA | C | O | 78.9° | 100.0° |
| CB | CA | C | NBE | 98.9° | 80.0° |
| CA | CB | CG | HG | 62.2° | 60.0° |
| CA | CB | CG | HGA | 57.8° | 60.0° |
| CA | CB | HB | HBA | 118.3° | 120.1° |
| CB | CA | N | HN | 17.0° | 120.0° |
| N | CA | C | HA | 117.4° | 120.0° |
| CA | N | CAW | HN | 180.0° | 180.0° |
| CA | N | CAW | CAB | 0.9° | 180.0° |
| CA | N | CAW | OAE | 179.5° | 0.1° |
| N | CA | C | O | 154.5° | 20.0° |
| N | CA | C | NBE | 27.6° | 160.0° |
| N | CA | CB | HB | 79.0° | 175.0° |
| N | CA | CB | HBA | 161.0° | 54.9° |
| C | CA | N | CAW | 70.3° | 60.0° |
| CA | C | O | NBE | 177.7° | 180.0° |
| CA | C | NBE | CAC | 7.7° | 0.0° |
| CA | C | NBE | CBD | 176.5° | 180.0° |
| C | CA | CB | HB | 155.3° | 55.0° |
| C | CA | CB | HBA | 35.3° | 65.1° |
| C | CA | N | HN | 109.7° | 120.0° |
| N | CAW | CAB | OAE | 179.6° | 180.0° |
| CAW | N | CA | HA | 47.0° | 180.0° |
| N | CAW | CAB | HAB | 179.6° | 90.0° |
| N | CAW | CAB | HABA | 59.6° | 150.0° |
| N | CAW | CAB | HABB | 60.4° | 30.0° |
| CAB | CAW | N | HN | 179.1° | 0.0° |
| CAW | CAB | HAB | HABA | 120.0° | 120.0° |
| CAW | CAB | HAB | HABB | 120.0° | 120.0° |
| CAW | CAB | HABA | HABB | 120.0° | 120.0° |
| OAE | CAW | N | HN | 0.5° | 180.0° |
| OAE | CAW | CAB | HAB | 0.0° | 90.0° |
| OAE | CAW | CAB | HABA | 120.0° | 30.0° |
| OAE | CAW | CAB | HABB | 120.0° | 150.0° |
| O | C | NBE | CAC | 170.1° | 180.0° |
| O | C | NBE | CBD | 5.7° | 0.0° |
| O | C | CA | HA | 37.1° | 140.0° |
| C | NBE | CAC | CBD | 175.7° | 179.9° |
| C | NBE | CBD | CAY | 117.9° | 120.0° |
| C | NBE | CBD | CAR | 121.9° | 120.0° |
| NBE | C | CA | HA | 145.0° | 40.0° |
| C | NBE | CAC | HAC | 180.0° | 90.0° |
| C | NBE | CAC | HACA | 60.0° | 150.0° |
| C | NBE | CAC | HACB | 60.0° | 30.0° |
| C | NBE | CBD | HBD | 2.8° | 0.1° |
| CAC | NBE | CBD | CAY | 66.5° | 60.0° |
| CAC | NBE | CBD | CAR | 53.7° | 60.0° |
| NBE | CAC | HAC | HACA | 120.0° | 120.0° |
| NBE | CAC | HAC | HACB | 120.0° | 120.0° |
| NBE | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | NBE | CBD | HBD | 172.8° | 180.0° |
| NBE | CBD | CAY | CAR | 120.0° | 120.0° |
| NBE | CBD | CAY | HBD | 120.9° | 120.0° |
| NBE | CBD | CAR | HBD | 121.0° | 120.0° |
| NBE | CBD | CAY | OAI | 89.8° | 180.0° |
| NBE | CBD | CAY | OAF | 88.2° | 0.0° |
| NBE | CBD | CAR | CBB | 58.5° | 65.0° |
| CBD | NBE | CAC | HAC | 4.4° | 90.0° |
| CBD | NBE | CAC | HACA | 115.7° | 30.0° |
| CBD | NBE | CAC | HACB | 124.4° | 150.0° |
| NBE | CBD | CAR | HAR | 61.5° | 55.0° |
| NBE | CBD | CAR | HARA | 178.5° | 175.0° |
| CAY | CBD | CAR | HBD | 120.8° | 120.0° |
| CBD | CAY | OAI | OAF | 177.8° | 179.9° |
| CAY | CBD | CAR | CBB | 176.7° | 175.0° |
| CAY | CBD | CAR | HAR | 56.7° | 65.0° |
| CAY | CBD | CAR | HARA | 63.3° | 55.0° |
| CBD | CAY | OAI | HOA | 177.8° | 180.0° |
| CAR | CBD | CAY | OAI | 150.2° | 60.0° |
| CAR | CBD | CAY | OAF | 31.8° | 120.0° |
| CBD | CAR | CBB | HAR | 120.0° | 120.0° |
| CBD | CAR | CBB | HARA | 120.0° | 120.0° |
| CBD | CAR | CBB | CAM | 113.8° | 90.0° |
| CBD | CAR | CBB | CAN | 66.3° | 90.3° |
| CBD | CAR | HAR | HARA | 119.5° | 120.0° |
| OAI | CAY | CBD | HBD | 31.1° | 60.0° |
| OAF | CAY | CBD | HBD | 150.9° | 120.0° |
| OAF | CAY | OAI | HOA | 0.0° | 0.1° |
| CAR | CBB | CAM | CAN | 180.0° | 179.7° |
| CAR | CBB | CAM | CAK | 179.9° | 180.0° |
| CAR | CBB | CAN | CAL | 180.0° | 179.8° |
| CBB | CAR | CBD | HBD | 62.5° | 55.0° |
| CBB | CAR | HAR | HARA | 119.5° | 120.0° |
| CAR | CBB | CAM | HAM | 0.1° | 0.1° |
| CAR | CBB | CAN | HAN | 0.0° | 0.0° |
| CBB | CAM | CAK | HAM | 180.0° | 179.9° |
| CBB | CAM | CAK | CAJ | 0.1° | 0.0° |
| CAM | CBB | CAN | CAL | 0.0° | 0.5° |
| CAM | CBB | CAR | HAR | 6.2° | 30.0° |
| CAM | CBB | CAR | HARA | 126.3° | 150.0° |
| CBB | CAM | CAK | HAK | 179.9° | 179.9° |
| CAM | CBB | CAN | HAN | 180.0° | 179.7° |
| CAN | CBB | CAM | CAK | 0.0° | 0.3° |
| CBB | CAN | CAL | CAJ | 0.0° | 0.5° |
| CBB | CAN | CAL | HAN | 180.0° | 179.7° |
| CAN | CBB | CAR | HAR | 173.7° | 149.7° |
| CAN | CBB | CAR | HARA | 53.7° | 29.7° |
| CAN | CBB | CAM | HAM | 179.9° | 179.7° |
| CBB | CAN | CAL | HAL | 180.0° | 179.7° |
| CAM | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAM | CAK | CAJ | CAL | 0.1° | 0.0° |
| CAM | CAK | CAJ | HAJ | 179.9° | 179.9° |
| CAK | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAK | CAJ | CAL | CAN | 0.1° | 0.2° |
| CAJ | CAK | CAM | HAM | 179.9° | 180.0° |
| CAK | CAJ | CAL | HAL | 179.9° | 180.0° |
| CAJ | CAL | CAN | HAL | 180.0° | 179.8° |
| CAL | CAJ | CAK | HAK | 179.9° | 180.0° |
| CAJ | CAL | CAN | HAN | 180.0° | 179.8° |
| CAN | CAL | CAJ | HAJ | 179.9° | 179.8° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | NAS | HNAS | 0.0° | 120.0° |
| HAAA | CAA | NAS | HNAS | 120.0° | 0.0° |
| HAAB | CAA | NAS | HNAS | 120.0° | 120.1° |
| HNE | NE | CD | HD | 18.8° | 120.0° |
| HNE | NE | CD | HDA | 138.8° | 119.9° |
| HD | CD | CG | HG | 55.0° | 180.0° |
| HD | CD | CG | HGA | 175.0° | 60.0° |
| HDA | CD | CG | HG | 65.0° | 60.0° |
| HDA | CD | CG | HGA | 55.0° | 180.0° |
| HG | CG | CB | HB | 177.8° | 180.0° |
| HG | CG | CB | HBA | 57.7° | 59.9° |
| HGA | CG | CB | HB | 62.2° | 60.0° |
| HGA | CG | CB | HBA | 177.8° | 180.0° |
| HB | CB | CA | HA | 38.3° | 64.9° |
| HBA | CB | CA | HA | 81.8° | 175.0° |
| HA | CA | N | HN | 133.0° | 0.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HBD | CBD | CAR | HAR | 177.5° | 175.0° |
| HBD | CBD | CAR | HARA | 57.5° | 65.0° |
| HAM | CAM | CAK | HAK | 0.1° | 0.0° |
| HAK | CAK | CAJ | HAJ | 0.1° | 0.0° |
| HAJ | CAJ | CAL | HAL | 0.1° | 0.1° |
| HAL | CAL | CAN | HAN | 0.0° | 0.0° |
