JRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.28Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAY | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CAN | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CAA | SAV | sing | 1.81Å | 1.75Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAX | OAC | sing | 1.34Å | 1.25Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | CAY | doub | 1.22Å | 1.23Å | |
| OAE | CAZ | doub | 1.22Å | 1.24Å | |
| OAG | CAX | doub | 1.21Å | 1.25Å | |
| CBA | IAH | sing | 2.10Å | 2.26Å | |
| CAK | CAI | doub | 1.38Å | 1.43Å | Aromatic |
| CAI | CBA | sing | 1.38Å | 1.43Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | CAJ | sing | 1.38Å | 1.44Å | Aromatic |
| CAJ | CBA | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CBB | CAK | sing | 1.40Å | 1.43Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CBB | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.58Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | NAS | sing | 1.47Å | 1.48Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| SAV | CAP | sing | 1.82Å | 1.83Å | |
| CAP | CAR | sing | 1.53Å | 1.48Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAR | CBD | sing | 1.53Å | 1.54Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| NAS | CAZ | sing | 1.35Å | 1.33Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CBD | NAU | sing | 1.46Å | 1.47Å | |
| NAU | CAY | sing | 1.35Å | 1.34Å | |
| NAU | HNAU | sing | 0.97Å | 1.00Å | |
| CAX | CBD | sing | 1.51Å | 1.56Å | |
| CAZ | CBB | sing | 1.48Å | 1.59Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 119.7° | 120.0° |
| CA | C | OXT | 113.7° | 120.0° |
| C | CA | N | 106.8° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| O | C | OXT | 126.6° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| CAY | N | CA | 123.2° | 120.0° |
| CAY | N | HN | 118.4° | 120.0° |
| N | CAY | OAD | 121.2° | 120.0° |
| N | CAY | NAU | 117.9° | 120.0° |
| CA | N | HN | 118.4° | 120.0° |
| N | CA | CB | 105.0° | 109.5° |
| N | CA | HA | 114.2° | 109.5° |
| CB | CA | HA | 111.1° | 109.5° |
| CA | CB | CAN | 113.6° | 109.5° |
| CA | CB | HB | 108.1° | 109.4° |
| CA | CB | HBA | 108.1° | 109.4° |
| CAN | CB | HB | 108.1° | 109.5° |
| CAN | CB | HBA | 108.1° | 109.5° |
| CB | CAN | CAM | 111.1° | 109.5° |
| CB | CAN | HAN | 108.9° | 109.5° |
| CB | CAN | HANA | 108.9° | 109.4° |
| HB | CB | HBA | 110.8° | 109.5° |
| SAV | CAA | HAA | 109.5° | 109.5° |
| SAV | CAA | HAAA | 109.4° | 109.5° |
| SAV | CAA | HAAB | 109.5° | 109.4° |
| CAA | SAV | CAP | 92.6° | 103.0° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CAX | OAC | HOAC | 109.5° | 117.0° |
| OAC | CAX | OAG | 123.8° | 120.0° |
| OAC | CAX | CBD | 118.4° | 120.0° |
| OAD | CAY | NAU | 120.8° | 120.0° |
| OAE | CAZ | NAS | 118.9° | 120.0° |
| OAE | CAZ | CBB | 119.7° | 120.0° |
| OAG | CAX | CBD | 117.8° | 120.0° |
| IAH | CBA | CAI | 127.7° | 119.9° |
| IAH | CBA | CAJ | 124.8° | 119.9° |
| CAK | CAI | CBA | 127.7° | 120.1° |
| CAK | CAI | HAI | 116.1° | 120.0° |
| CAI | CAK | CBB | 122.7° | 119.9° |
| CAI | CAK | HAK | 118.6° | 120.0° |
| CBA | CAI | HAI | 116.2° | 119.9° |
| CAI | CBA | CAJ | 107.5° | 120.3° |
| CAL | CAJ | CBA | 126.5° | 120.1° |
| CAL | CAJ | HAJ | 116.8° | 120.0° |
| CAJ | CAL | CBB | 124.2° | 119.8° |
| CAJ | CAL | HAL | 117.9° | 120.1° |
| CBA | CAJ | HAJ | 116.8° | 119.9° |
| CBB | CAK | HAK | 118.6° | 120.1° |
| CAK | CBB | CAL | 111.4° | 119.8° |
| CAK | CBB | CAZ | 124.9° | 120.2° |
| CBB | CAL | HAL | 117.9° | 120.1° |
| CAL | CBB | CAZ | 123.5° | 120.1° |
| CAO | CAM | CAN | 116.4° | 109.5° |
| CAO | CAM | HAM | 107.2° | 109.5° |
| CAO | CAM | HAMA | 107.2° | 109.5° |
| CAM | CAO | NAS | 109.8° | 109.5° |
| CAM | CAO | HAO | 109.4° | 109.5° |
| CAM | CAO | HAOA | 109.4° | 109.5° |
| CAN | CAM | HAM | 107.3° | 109.4° |
| CAN | CAM | HAMA | 107.3° | 109.5° |
| CAM | CAN | HAN | 108.9° | 109.5° |
| CAM | CAN | HANA | 108.9° | 109.5° |
| HAM | CAM | HAMA | 111.6° | 109.5° |
| HAN | CAN | HANA | 110.0° | 109.5° |
| NAS | CAO | HAO | 109.3° | 109.5° |
| NAS | CAO | HAOA | 109.3° | 109.5° |
| CAO | NAS | CAZ | 124.4° | 120.0° |
| CAO | NAS | HNAS | 117.8° | 120.0° |
| HAO | CAO | HAOA | 109.6° | 109.4° |
| SAV | CAP | CAR | 107.4° | 109.4° |
| SAV | CAP | HAP | 110.2° | 109.5° |
| SAV | CAP | HAPA | 110.2° | 109.4° |
| CAR | CAP | HAP | 110.1° | 109.5° |
| CAR | CAP | HAPA | 110.2° | 109.5° |
| CAP | CAR | CBD | 111.7° | 109.4° |
| CAP | CAR | HAR | 108.7° | 109.4° |
| CAP | CAR | HARA | 108.8° | 109.5° |
| HAP | CAP | HAPA | 108.8° | 109.5° |
| CBD | CAR | HAR | 108.7° | 109.5° |
| CBD | CAR | HARA | 108.7° | 109.5° |
| CAR | CBD | NAU | 114.0° | 109.5° |
| CAR | CBD | CAX | 106.9° | 109.5° |
| CAR | CBD | HBD | 107.3° | 109.5° |
| HAR | CAR | HARA | 110.2° | 109.5° |
| CAZ | NAS | HNAS | 117.8° | 120.0° |
| NAS | CAZ | CBB | 120.3° | 120.0° |
| CBD | NAU | CAY | 117.9° | 120.0° |
| CBD | NAU | HNAU | 121.0° | 120.0° |
| NAU | CBD | CAX | 106.6° | 109.4° |
| NAU | CBD | HBD | 107.6° | 109.5° |
| CAY | NAU | HNAU | 121.1° | 120.0° |
| CAX | CBD | HBD | 114.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 177.0° | 179.7° |
| C | CA | N | CAY | 154.9° | 85.0° |
| C | CA | N | CB | 116.9° | 120.0° |
| C | CA | N | HA | 121.1° | 120.0° |
| C | CA | N | HN | 25.1° | 95.0° |
| C | CA | CB | HA | 121.4° | 120.0° |
| C | CA | CB | CAN | 71.4° | 175.0° |
| C | CA | CB | HB | 168.6° | 65.0° |
| C | CA | CB | HBA | 48.6° | 55.0° |
| CA | C | OXT | HOXT | 177.2° | 179.7° |
| O | C | CA | N | 34.3° | 0.0° |
| O | C | CA | CB | 79.2° | 120.0° |
| O | C | CA | HA | 158.4° | 120.0° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| OXT | C | CA | N | 143.1° | 179.7° |
| OXT | C | CA | CB | 103.4° | 59.7° |
| OXT | C | CA | HA | 19.0° | 60.3° |
| CAY | N | CA | HN | 180.0° | 180.0° |
| CAY | N | CA | CB | 88.2° | 155.0° |
| CAY | N | CA | HA | 33.8° | 35.0° |
| N | CAY | OAD | NAU | 178.4° | 179.9° |
| N | CAY | NAU | CBD | 168.9° | 180.0° |
| N | CAY | NAU | HNAU | 11.1° | 0.1° |
| N | CA | CB | HA | 123.9° | 120.0° |
| N | CA | CB | CAN | 173.9° | 65.0° |
| N | CA | CB | HB | 53.9° | 55.0° |
| N | CA | CB | HBA | 66.1° | 175.0° |
| CA | N | CAY | OAD | 1.0° | 0.0° |
| CA | N | CAY | NAU | 177.4° | 180.0° |
| HN | N | CA | CB | 91.8° | 25.0° |
| HN | N | CA | HA | 146.2° | 145.0° |
| HN | N | CAY | OAD | 179.0° | 180.0° |
| HN | N | CAY | NAU | 2.6° | 0.1° |
| CA | CB | CAN | HB | 120.0° | 120.0° |
| CA | CB | CAN | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.3° | 119.9° |
| CA | CB | CAN | CAM | 177.4° | 180.0° |
| CA | CB | CAN | HAN | 57.4° | 60.0° |
| CA | CB | CAN | HANA | 62.6° | 60.0° |
| HA | CA | CB | CAN | 50.0° | 55.0° |
| HA | CA | CB | HB | 70.0° | 175.0° |
| HA | CA | CB | HBA | 170.0° | 65.0° |
| CAN | CB | HB | HBA | 118.3° | 120.0° |
| CB | CAN | CAM | CAO | 57.8° | 180.0° |
| CB | CAN | CAM | HAN | 120.0° | 120.0° |
| CB | CAN | CAM | HANA | 120.0° | 120.0° |
| CB | CAN | CAM | HAM | 62.2° | 60.0° |
| CB | CAN | CAM | HAMA | 177.8° | 60.0° |
| CB | CAN | HAN | HANA | 119.3° | 119.9° |
| HB | CB | CAN | CAM | 62.6° | 60.0° |
| HB | CB | CAN | HAN | 177.4° | 180.0° |
| HB | CB | CAN | HANA | 57.4° | 60.0° |
| HBA | CB | CAN | CAM | 57.4° | 60.0° |
| HBA | CB | CAN | HAN | 62.6° | 60.0° |
| HBA | CB | CAN | HANA | 177.4° | 180.0° |
| SAV | CAA | HAA | HAAA | 120.0° | 120.0° |
| SAV | CAA | HAA | HAAB | 120.0° | 120.0° |
| SAV | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | SAV | CAP | CAR | 168.1° | 180.0° |
| CAA | SAV | CAP | HAP | 48.1° | 60.0° |
| CAA | SAV | CAP | HAPA | 71.9° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | SAV | CAP | 180.0° | 60.0° |
| HAAA | CAA | SAV | CAP | 60.0° | 60.0° |
| HAAB | CAA | SAV | CAP | 60.0° | 179.9° |
| OAC | CAX | OAG | CBD | 176.8° | 179.9° |
| OAC | CAX | CBD | CAR | 101.2° | 59.9° |
| OAC | CAX | CBD | NAU | 21.2° | 179.9° |
| OAC | CAX | CBD | HBD | 140.1° | 60.1° |
| HOAC | OAC | CAX | OAG | 0.0° | 0.1° |
| HOAC | OAC | CAX | CBD | 176.7° | 180.0° |
| OAD | CAY | NAU | CBD | 12.6° | 0.1° |
| OAD | CAY | NAU | HNAU | 167.4° | 180.0° |
| OAE | CAZ | CBB | CAK | 39.7° | 0.0° |
| OAE | CAZ | CBB | CAL | 133.9° | 180.0° |
| OAE | CAZ | NAS | CAO | 3.1° | 0.0° |
| OAE | CAZ | NAS | CBB | 167.8° | 180.0° |
| OAE | CAZ | NAS | HNAS | 176.8° | 180.0° |
| OAG | CAX | CBD | CAR | 81.9° | 119.9° |
| OAG | CAX | CBD | NAU | 155.8° | 0.1° |
| OAG | CAX | CBD | HBD | 36.9° | 120.0° |
| IAH | CBA | CAI | CAK | 178.0° | 179.8° |
| IAH | CBA | CAI | CAJ | 179.8° | 179.9° |
| IAH | CBA | CAI | HAI | 2.0° | 0.0° |
| IAH | CBA | CAJ | CAL | 179.4° | 179.5° |
| IAH | CBA | CAJ | HAJ | 0.6° | 0.0° |
| CAK | CAI | CBA | HAI | 180.0° | 179.8° |
| CAK | CAI | CBA | CAJ | 1.8° | 0.2° |
| CAI | CAK | CBB | HAK | 180.0° | 180.0° |
| CAI | CAK | CBB | CAL | 3.3° | 0.0° |
| CAI | CAK | CBB | CAZ | 177.6° | 180.0° |
| CAI | CBA | CAJ | CAL | 0.5° | 0.5° |
| CAI | CBA | CAJ | HAJ | 179.5° | 180.0° |
| CBA | CAI | CAK | CBB | 3.5° | 0.1° |
| CBA | CAI | CAK | HAK | 176.5° | 180.0° |
| HAI | CAI | CBA | CAJ | 178.2° | 179.9° |
| HAI | CAI | CAK | CBB | 176.4° | 179.7° |
| HAI | CAI | CAK | HAK | 3.6° | 0.3° |
| CAL | CAJ | CBA | HAJ | 180.0° | 179.5° |
| CAJ | CAL | CBB | CAK | 2.1° | 0.3° |
| CAJ | CAL | CBB | HAL | 180.0° | 179.5° |
| CAJ | CAL | CBB | CAZ | 176.5° | 179.7° |
| CBA | CAJ | CAL | CBB | 0.8° | 0.5° |
| CBA | CAJ | CAL | HAL | 179.2° | 180.0° |
| HAJ | CAJ | CAL | CBB | 179.2° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.8° | 0.5° |
| CAK | CBB | CAL | CAZ | 174.4° | 180.0° |
| CAK | CBB | CAL | HAL | 177.9° | 179.8° |
| CAK | CBB | CAZ | NAS | 152.6° | 180.0° |
| HAK | CAK | CBB | CAL | 176.7° | 180.0° |
| HAK | CAK | CBB | CAZ | 2.4° | 0.0° |
| CAL | CBB | CAZ | NAS | 33.7° | 0.0° |
| HAL | CAL | CBB | CAZ | 3.5° | 0.3° |
| CAO | CAM | CAN | HAM | 120.0° | 120.0° |
| CAO | CAM | CAN | HAMA | 120.0° | 120.0° |
| CAO | CAM | HAM | HAMA | 117.1° | 120.0° |
| CAO | CAM | CAN | HAN | 62.2° | 60.0° |
| CAO | CAM | CAN | HANA | 177.9° | 60.0° |
| CAM | CAO | NAS | HAO | 120.0° | 120.0° |
| CAM | CAO | NAS | HAOA | 120.0° | 120.0° |
| CAM | CAO | HAO | HAOA | 119.9° | 120.0° |
| CAM | CAO | NAS | CAZ | 144.3° | 180.0° |
| CAM | CAO | NAS | HNAS | 35.6° | 0.0° |
| CAN | CAM | HAM | HAMA | 117.2° | 120.0° |
| CAM | CAN | HAN | HANA | 119.3° | 120.0° |
| CAN | CAM | CAO | NAS | 55.8° | 180.0° |
| CAN | CAM | CAO | HAO | 175.8° | 60.0° |
| CAN | CAM | CAO | HAOA | 64.1° | 60.0° |
| HAM | CAM | CAN | HAN | 177.8° | 180.0° |
| HAM | CAM | CAN | HANA | 57.8° | 60.0° |
| HAM | CAM | CAO | NAS | 175.9° | 60.0° |
| HAM | CAM | CAO | HAO | 64.1° | 180.0° |
| HAM | CAM | CAO | HAOA | 55.9° | 60.0° |
| HAMA | CAM | CAN | HAN | 57.9° | 60.0° |
| HAMA | CAM | CAN | HANA | 62.1° | 180.0° |
| HAMA | CAM | CAO | NAS | 64.2° | 60.0° |
| HAMA | CAM | CAO | HAO | 55.8° | 60.0° |
| HAMA | CAM | CAO | HAOA | 175.8° | 180.0° |
| NAS | CAO | HAO | HAOA | 119.8° | 120.0° |
| CAO | NAS | CAZ | HNAS | 180.0° | 180.0° |
| CAO | NAS | CAZ | CBB | 170.9° | 180.0° |
| HAO | CAO | NAS | CAZ | 95.7° | 60.0° |
| HAO | CAO | NAS | HNAS | 84.4° | 120.0° |
| HAOA | CAO | NAS | CAZ | 24.3° | 60.0° |
| HAOA | CAO | NAS | HNAS | 155.6° | 120.0° |
| SAV | CAP | CAR | HAP | 120.0° | 120.0° |
| SAV | CAP | CAR | HAPA | 120.0° | 119.9° |
| SAV | CAP | HAP | HAPA | 120.9° | 119.9° |
| SAV | CAP | CAR | CBD | 168.9° | 180.0° |
| SAV | CAP | CAR | HAR | 71.1° | 60.1° |
| SAV | CAP | CAR | HARA | 48.9° | 60.0° |
| CAR | CAP | HAP | HAPA | 120.8° | 120.1° |
| CAP | CAR | CBD | HAR | 120.0° | 119.9° |
| CAP | CAR | CBD | HARA | 120.0° | 120.0° |
| CAP | CAR | HAR | HARA | 119.1° | 120.0° |
| CAP | CAR | CBD | NAU | 47.6° | 65.1° |
| CAP | CAR | CBD | CAX | 69.9° | 175.0° |
| CAP | CAR | CBD | HBD | 166.7° | 55.0° |
| HAP | CAP | CAR | CBD | 48.9° | 60.0° |
| HAP | CAP | CAR | HAR | 168.9° | 60.0° |
| HAP | CAP | CAR | HARA | 71.1° | 180.0° |
| HAPA | CAP | CAR | CBD | 71.1° | 60.1° |
| HAPA | CAP | CAR | HAR | 48.9° | 180.0° |
| HAPA | CAP | CAR | HARA | 168.9° | 59.9° |
| CBD | CAR | HAR | HARA | 119.0° | 120.1° |
| CAR | CBD | NAU | CAX | 117.7° | 120.0° |
| CAR | CBD | NAU | HBD | 118.9° | 120.1° |
| CAR | CBD | NAU | CAY | 175.6° | 155.0° |
| CAR | CBD | NAU | HNAU | 4.4° | 24.9° |
| CAR | CBD | CAX | HBD | 118.8° | 120.0° |
| HAR | CAR | CBD | NAU | 72.4° | 175.0° |
| HAR | CAR | CBD | CAX | 170.1° | 55.1° |
| HAR | CAR | CBD | HBD | 46.7° | 64.9° |
| HARA | CAR | CBD | NAU | 167.7° | 55.0° |
| HARA | CAR | CBD | CAX | 50.1° | 65.0° |
| HARA | CAR | CBD | HBD | 73.3° | 175.0° |
| HNAS | NAS | CAZ | CBB | 9.1° | 0.0° |
| CBD | NAU | CAY | HNAU | 180.0° | 179.9° |
| NAU | CBD | CAX | HBD | 118.9° | 120.0° |
| CAY | NAU | CBD | CAX | 57.9° | 85.0° |
| CAY | NAU | CBD | HBD | 65.5° | 34.9° |
| HNAU | NAU | CBD | CAX | 122.1° | 95.1° |
| HNAU | NAU | CBD | HBD | 114.5° | 145.0° |
