OPY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | NAM | sing | 1.35Å | 1.35Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CAD | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CAD | NAA | sing | 1.47Å | 1.47Å | |
| NAA | HNAA | sing | 1.01Å | 1.00Å | |
| NAA | HNAB | sing | 1.01Å | 1.00Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAF | CAE | sing | 1.53Å | 1.51Å | |
| CAG | CAE | sing | 1.53Å | 1.53Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAI | CAF | sing | 1.53Å | 1.54Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAJ | CAG | sing | 1.53Å | 1.53Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| NAM | CAI | sing | 1.47Å | 1.49Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| NAM | CAJ | sing | 1.47Å | 1.49Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.0° | 120.0° |
| O | C | NAM | 120.0° | 120.0° |
| CA | C | NAM | 122.1° | 120.0° |
| C | CA | N | 108.1° | 109.5° |
| C | CA | CB | 110.9° | 109.4° |
| C | CA | HA | 109.4° | 109.5° |
| C | NAM | CAI | 119.3° | 120.6° |
| C | NAM | CAJ | 121.0° | 120.6° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | CB | 109.4° | 109.5° |
| N | CA | HA | 110.9° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | CAD | 112.4° | 109.4° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 108.5° | 109.5° |
| CAD | CB | HB | 108.5° | 109.4° |
| CAD | CB | HBA | 108.5° | 109.5° |
| CB | CAD | NAA | 109.7° | 109.4° |
| CB | CAD | HAD | 109.4° | 109.4° |
| CB | CAD | HADA | 109.4° | 109.6° |
| HB | CB | HBA | 110.4° | 109.5° |
| CAD | NAA | HNAA | 109.5° | 111.0° |
| CAD | NAA | HNAB | 109.5° | 111.0° |
| NAA | CAD | HAD | 109.4° | 109.5° |
| NAA | CAD | HADA | 109.4° | 109.5° |
| HNAA | NAA | HNAB | 109.5° | 111.0° |
| HAD | CAD | HADA | 109.6° | 109.5° |
| CAF | CAE | CAG | 109.5° | 109.6° |
| CAF | CAE | HAE | 109.5° | 109.4° |
| CAF | CAE | HAEA | 109.5° | 109.4° |
| CAE | CAF | CAI | 113.1° | 109.3° |
| CAE | CAF | HAF | 108.3° | 109.5° |
| CAE | CAF | HAFA | 108.3° | 109.5° |
| CAG | CAE | HAE | 109.4° | 109.5° |
| CAG | CAE | HAEA | 109.4° | 109.5° |
| CAE | CAG | CAJ | 110.1° | 109.3° |
| CAE | CAG | HAG | 109.3° | 109.5° |
| CAE | CAG | HAGA | 109.3° | 109.5° |
| HAE | CAE | HAEA | 109.5° | 109.4° |
| CAI | CAF | HAF | 108.2° | 109.5° |
| CAI | CAF | HAFA | 108.3° | 109.5° |
| CAF | CAI | NAM | 114.2° | 108.8° |
| CAF | CAI | HAI | 107.9° | 109.6° |
| CAF | CAI | HAIA | 107.9° | 109.6° |
| HAF | CAF | HAFA | 110.6° | 109.5° |
| CAJ | CAG | HAG | 109.3° | 109.5° |
| CAJ | CAG | HAGA | 109.3° | 109.5° |
| CAG | CAJ | NAM | 110.3° | 108.8° |
| CAG | CAJ | HAJ | 109.2° | 109.6° |
| CAG | CAJ | HAJA | 109.2° | 109.6° |
| HAG | CAG | HAGA | 109.6° | 109.5° |
| NAM | CAI | HAI | 107.9° | 109.6° |
| NAM | CAI | HAIA | 107.9° | 109.7° |
| CAI | NAM | CAJ | 119.6° | 118.7° |
| HAI | CAI | HAIA | 111.0° | 109.6° |
| NAM | CAJ | HAJ | 109.2° | 109.6° |
| NAM | CAJ | HAJA | 109.2° | 109.7° |
| HAJ | CAJ | HAJA | 109.8° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAM | 177.8° | 179.7° |
| O | C | CA | N | 7.3° | 20.3° |
| O | C | CA | CB | 112.7° | 99.7° |
| O | C | CA | HA | 128.1° | 140.3° |
| O | C | NAM | CAI | 3.1° | 0.0° |
| O | C | NAM | CAJ | 178.9° | 180.0° |
| C | CA | N | CB | 120.9° | 120.0° |
| C | CA | N | HA | 119.9° | 120.0° |
| C | CA | N | HN | 180.0° | 60.0° |
| C | CA | N | HNA | 60.0° | 176.1° |
| C | CA | CB | HA | 119.9° | 120.0° |
| C | CA | CB | CAD | 49.2° | 175.0° |
| C | CA | CB | HB | 70.8° | 65.0° |
| C | CA | CB | HBA | 169.2° | 55.0° |
| CA | C | NAM | CAI | 179.1° | 179.7° |
| CA | C | NAM | CAJ | 1.1° | 0.2° |
| NAM | C | CA | N | 170.5° | 160.0° |
| NAM | C | CA | CB | 69.5° | 80.0° |
| NAM | C | CA | HA | 49.7° | 40.0° |
| C | NAM | CAI | CAF | 146.5° | 126.4° |
| C | NAM | CAJ | CAG | 138.7° | 126.4° |
| C | NAM | CAI | CAJ | 178.1° | 179.9° |
| C | NAM | CAI | HAI | 26.5° | 6.7° |
| C | NAM | CAI | HAIA | 93.5° | 113.7° |
| C | NAM | CAJ | HAJ | 101.3° | 113.8° |
| C | NAM | CAJ | HAJA | 18.7° | 6.6° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | HA | 120.9° | 120.1° |
| N | CA | CB | CAD | 70.0° | 65.0° |
| N | CA | CB | HB | 170.0° | 54.9° |
| N | CA | CB | HBA | 50.0° | 175.0° |
| HN | N | CA | CB | 59.1° | 60.0° |
| HN | N | CA | HA | 60.1° | 180.0° |
| HNA | N | CA | CB | 179.1° | 64.0° |
| HNA | N | CA | HA | 59.9° | 56.1° |
| CA | CB | CAD | HB | 120.0° | 119.9° |
| CA | CB | CAD | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.8° | 120.0° |
| CA | CB | CAD | NAA | 172.9° | 180.0° |
| CA | CB | CAD | HAD | 52.9° | 60.1° |
| CA | CB | CAD | HADA | 67.1° | 60.0° |
| HA | CA | CB | CAD | 169.1° | 55.1° |
| HA | CA | CB | HB | 49.1° | 175.0° |
| HA | CA | CB | HBA | 70.9° | 65.0° |
| CAD | CB | HB | HBA | 118.8° | 120.0° |
| CB | CAD | NAA | HAD | 120.0° | 119.9° |
| CB | CAD | NAA | HADA | 120.0° | 120.1° |
| CB | CAD | NAA | HNAA | 180.0° | 56.1° |
| CB | CAD | NAA | HNAB | 60.0° | 180.0° |
| CB | CAD | HAD | HADA | 119.9° | 120.1° |
| HB | CB | CAD | NAA | 67.1° | 60.1° |
| HB | CB | CAD | HAD | 172.9° | 180.0° |
| HB | CB | CAD | HADA | 52.9° | 60.0° |
| HBA | CB | CAD | NAA | 52.9° | 60.0° |
| HBA | CB | CAD | HAD | 67.1° | 60.0° |
| HBA | CB | CAD | HADA | 172.9° | 180.0° |
| CAD | NAA | HNAA | HNAB | 120.0° | 123.9° |
| NAA | CAD | HAD | HADA | 119.9° | 120.0° |
| HNAA | NAA | CAD | HAD | 60.0° | 63.9° |
| HNAA | NAA | CAD | HADA | 60.0° | 176.1° |
| HNAB | NAA | CAD | HAD | 180.0° | 60.1° |
| HNAB | NAA | CAD | HADA | 60.0° | 59.9° |
| CAF | CAE | CAG | HAE | 120.0° | 120.0° |
| CAF | CAE | CAG | HAEA | 120.0° | 120.0° |
| CAF | CAE | HAE | HAEA | 120.0° | 119.9° |
| CAE | CAF | CAI | HAF | 120.0° | 119.9° |
| CAE | CAF | CAI | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFA | 118.5° | 120.1° |
| CAF | CAE | CAG | CAJ | 63.2° | 61.4° |
| CAF | CAE | CAG | HAG | 176.8° | 178.7° |
| CAF | CAE | CAG | HAGA | 56.8° | 58.6° |
| CAE | CAF | CAI | NAM | 40.1° | 54.6° |
| CAE | CAF | CAI | HAI | 160.2° | 174.4° |
| CAE | CAF | CAI | HAIA | 79.9° | 65.3° |
| CAG | CAE | HAE | HAEA | 120.0° | 120.0° |
| CAG | CAE | CAF | CAI | 54.6° | 61.4° |
| CAG | CAE | CAF | HAF | 65.4° | 58.6° |
| CAG | CAE | CAF | HAFA | 174.6° | 178.7° |
| CAE | CAG | CAJ | HAG | 120.0° | 120.0° |
| CAE | CAG | CAJ | HAGA | 120.0° | 119.9° |
| CAE | CAG | HAG | HAGA | 119.7° | 120.0° |
| CAE | CAG | CAJ | NAM | 56.1° | 54.6° |
| CAE | CAG | CAJ | HAJ | 63.9° | 65.2° |
| CAE | CAG | CAJ | HAJA | 176.1° | 174.5° |
| HAE | CAE | CAF | CAI | 65.4° | 58.7° |
| HAE | CAE | CAF | HAF | 174.6° | 178.6° |
| HAE | CAE | CAF | HAFA | 54.6° | 61.3° |
| HAE | CAE | CAG | CAJ | 56.8° | 58.6° |
| HAE | CAE | CAG | HAG | 63.2° | 61.3° |
| HAE | CAE | CAG | HAGA | 176.8° | 178.6° |
| HAEA | CAE | CAF | CAI | 174.5° | 178.6° |
| HAEA | CAE | CAF | HAF | 54.6° | 61.5° |
| HAEA | CAE | CAF | HAFA | 65.4° | 58.7° |
| HAEA | CAE | CAG | CAJ | 176.8° | 178.6° |
| HAEA | CAE | CAG | HAG | 56.8° | 58.6° |
| HAEA | CAE | CAG | HAGA | 63.2° | 61.4° |
| CAI | CAF | HAF | HAFA | 118.5° | 120.1° |
| CAF | CAI | NAM | HAI | 120.0° | 119.7° |
| CAF | CAI | NAM | HAIA | 120.0° | 119.9° |
| CAF | CAI | HAI | HAIA | 118.0° | 120.3° |
| CAF | CAI | NAM | CAJ | 35.4° | 53.6° |
| HAF | CAF | CAI | NAM | 79.8° | 65.3° |
| HAF | CAF | CAI | HAI | 40.2° | 54.4° |
| HAF | CAF | CAI | HAIA | 160.1° | 174.8° |
| HAFA | CAF | CAI | NAM | 160.2° | 174.6° |
| HAFA | CAF | CAI | HAI | 79.8° | 65.7° |
| HAFA | CAF | CAI | HAIA | 40.1° | 54.6° |
| CAJ | CAG | HAG | HAGA | 119.7° | 120.1° |
| CAG | CAJ | NAM | CAI | 43.3° | 53.6° |
| CAG | CAJ | NAM | HAJ | 120.0° | 119.8° |
| CAG | CAJ | NAM | HAJA | 120.0° | 119.9° |
| CAG | CAJ | HAJ | HAJA | 119.6° | 120.3° |
| HAG | CAG | CAJ | NAM | 176.1° | 174.6° |
| HAG | CAG | CAJ | HAJ | 56.1° | 54.8° |
| HAG | CAG | CAJ | HAJA | 63.9° | 65.5° |
| HAGA | CAG | CAJ | NAM | 64.0° | 65.3° |
| HAGA | CAG | CAJ | HAJ | 176.0° | 174.9° |
| HAGA | CAG | CAJ | HAJA | 56.0° | 54.6° |
| NAM | CAI | HAI | HAIA | 118.0° | 120.5° |
| CAI | NAM | CAJ | HAJ | 76.7° | 66.2° |
| CAI | NAM | CAJ | HAJA | 163.3° | 173.5° |
| HAI | CAI | NAM | CAJ | 155.4° | 173.4° |
| HAIA | CAI | NAM | CAJ | 84.6° | 66.2° |
| NAM | CAJ | HAJ | HAJA | 119.7° | 120.4° |
