4DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAJ | doub | 1.22Å | 1.23Å | |
| CAJ | CAL | sing | 1.46Å | 1.39Å | |
| CAJ | NAN | sing | 1.38Å | 1.33Å | |
| CAL | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | NAM | sing | 1.41Å | 1.33Å | |
| CAH | CAE | sing | 1.41Å | 1.39Å | Aromatic |
| NAM | CAC | sing | 1.45Å | 1.47Å | |
| NAM | CAD | sing | 1.45Å | 1.47Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAF | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | CAI | sing | 1.46Å | 1.39Å | |
| CAI | NAN | sing | 1.38Å | 1.33Å | |
| CAI | OAO | doub | 1.22Å | 1.23Å | |
| NAN | CB | sing | 1.45Å | 1.47Å | |
| CB | CA | sing | 1.52Å | 1.53Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.52Å | 1.51Å | |
| CA | N | sing | 1.44Å | 1.47Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 1.33Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAJ | CAL | 125.2° | 124.0° |
| OAP | CAJ | NAN | 125.7° | 130.4° |
| CAL | CAJ | NAN | 109.1° | 105.6° |
| CAJ | CAL | CAG | 133.0° | 130.0° |
| CAJ | CAL | CAK | 106.5° | 108.0° |
| CAJ | NAN | CAI | 108.9° | 112.5° |
| CAJ | NAN | CB | 125.7° | 123.7° |
| CAG | CAL | CAK | 120.4° | 122.0° |
| CAL | CAG | CAH | 119.9° | 117.1° |
| CAL | CAG | HAG | 120.1° | 121.4° |
| CAL | CAK | CAF | 120.0° | 121.9° |
| CAL | CAK | CAI | 105.9° | 108.1° |
| CAH | CAG | HAG | 120.0° | 121.5° |
| CAG | CAH | NAM | 118.8° | 119.6° |
| CAG | CAH | CAE | 119.8° | 120.9° |
| NAM | CAH | CAE | 121.3° | 119.5° |
| CAH | NAM | CAC | 119.4° | 120.4° |
| CAH | NAM | CAD | 121.2° | 120.3° |
| CAH | CAE | CAF | 120.4° | 121.0° |
| CAH | CAE | HAE | 119.8° | 120.0° |
| CAC | NAM | CAD | 119.4° | 119.3° |
| NAM | CAC | HAC1 | 109.5° | 110.1° |
| NAM | CAC | HAC2 | 109.5° | 110.2° |
| NAM | CAC | HAC3 | 109.5° | 110.2° |
| NAM | CAD | HAD1 | 109.5° | 110.1° |
| NAM | CAD | HAD2 | 109.5° | 110.3° |
| NAM | CAD | HAD3 | 109.4° | 110.2° |
| HAD1 | CAD | HAD2 | 109.4° | 108.8° |
| HAD1 | CAD | HAD3 | 109.5° | 108.7° |
| HAD2 | CAD | HAD3 | 109.5° | 108.7° |
| HAC1 | CAC | HAC2 | 109.5° | 108.7° |
| HAC1 | CAC | HAC3 | 109.4° | 108.8° |
| HAC2 | CAC | HAC3 | 109.5° | 108.7° |
| CAF | CAE | HAE | 119.8° | 119.0° |
| CAE | CAF | CAK | 119.7° | 117.1° |
| CAE | CAF | HAF | 120.2° | 121.0° |
| CAK | CAF | HAF | 120.2° | 121.9° |
| CAF | CAK | CAI | 134.1° | 130.0° |
| CAK | CAI | NAN | 109.5° | 105.7° |
| CAK | CAI | OAO | 125.6° | 124.2° |
| NAN | CAI | OAO | 124.9° | 130.1° |
| CAI | NAN | CB | 125.2° | 123.8° |
| NAN | CB | CA | 114.1° | 112.1° |
| NAN | CB | HB3 | 108.0° | 107.4° |
| NAN | CB | HB2 | 106.9° | 106.9° |
| CA | CB | HB3 | 108.0° | 111.3° |
| CA | CB | HB2 | 106.9° | 111.1° |
| CB | CA | C | 106.3° | 110.2° |
| CB | CA | N | 111.3° | 112.1° |
| CB | CA | HA | 110.0° | 111.9° |
| HB3 | CB | HB2 | 113.1° | 107.8° |
| C | CA | N | 108.2° | 107.1° |
| C | CA | HA | 113.0° | 109.6° |
| CA | C | O | 120.2° | 125.2° |
| CA | C | OXT | 117.3° | 111.9° |
| N | CA | HA | 108.1° | 105.8° |
| CA | N | H | 109.5° | 119.0° |
| CA | N | H2 | 109.4° | 118.9° |
| O | C | OXT | 122.5° | 122.8° |
| C | OXT | HXT | 109.5° | 115.2° |
| H | N | H2 | 109.5° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAJ | CAL | NAN | 179.0° | 179.8° |
| OAP | CAJ | CAL | CAG | 1.3° | 0.1° |
| OAP | CAJ | CAL | CAK | 179.3° | 180.0° |
| OAP | CAJ | NAN | CAI | 179.4° | 179.9° |
| OAP | CAJ | NAN | CB | 3.7° | 0.1° |
| CAJ | CAL | CAG | CAK | 177.8° | 179.8° |
| CAJ | CAL | CAG | CAH | 177.9° | 179.9° |
| CAJ | CAL | CAG | HAG | 2.1° | 0.1° |
| CAJ | CAL | CAK | CAF | 178.4° | 179.9° |
| CAJ | CAL | CAK | CAI | 0.1° | 0.1° |
| CAL | CAJ | NAN | CAI | 0.4° | 0.3° |
| CAL | CAJ | NAN | CB | 175.3° | 179.7° |
| NAN | CAJ | CAL | CAG | 177.7° | 179.9° |
| NAN | CAJ | CAL | CAK | 0.3° | 0.2° |
| CAJ | NAN | CAI | CAK | 0.3° | 0.3° |
| CAJ | NAN | CAI | CB | 175.7° | 180.0° |
| CAJ | NAN | CAI | OAO | 179.4° | 179.8° |
| CAJ | NAN | CB | CA | 98.1° | 62.6° |
| CAJ | NAN | CB | HB3 | 141.9° | 59.9° |
| CAJ | NAN | CB | HB2 | 19.9° | 175.5° |
| CAL | CAG | CAH | HAG | 180.0° | 179.9° |
| CAL | CAG | CAH | NAM | 175.9° | 180.0° |
| CAL | CAG | CAH | CAE | 0.0° | 0.0° |
| CAG | CAL | CAK | CAF | 0.1° | 0.1° |
| CAG | CAL | CAK | CAI | 178.2° | 179.9° |
| CAK | CAL | CAG | CAH | 0.1° | 0.1° |
| CAK | CAL | CAG | HAG | 179.9° | 180.0° |
| CAL | CAK | CAF | CAE | 0.0° | 0.0° |
| CAL | CAK | CAF | CAI | 177.7° | 180.0° |
| CAL | CAK | CAF | HAF | 180.0° | 180.0° |
| CAL | CAK | CAI | NAN | 0.1° | 0.1° |
| CAL | CAK | CAI | OAO | 179.1° | 179.9° |
| CAG | CAH | NAM | CAE | 175.8° | 179.9° |
| CAG | CAH | NAM | CAC | 1.4° | 29.3° |
| CAG | CAH | NAM | CAD | 177.4° | 150.0° |
| CAG | CAH | CAE | CAF | 0.1° | 0.0° |
| CAG | CAH | CAE | HAE | 179.9° | 179.9° |
| HAG | CAG | CAH | NAM | 4.1° | 0.1° |
| HAG | CAG | CAH | CAE | 180.0° | 180.0° |
| CAH | NAM | CAC | CAD | 178.8° | 179.4° |
| CAH | NAM | CAD | HAD1 | 79.7° | 147.0° |
| CAH | NAM | CAD | HAD2 | 160.4° | 27.0° |
| CAH | NAM | CAD | HAD3 | 40.3° | 93.0° |
| CAH | NAM | CAC | HAC1 | 98.9° | 31.4° |
| CAH | NAM | CAC | HAC2 | 141.1° | 151.4° |
| CAH | NAM | CAC | HAC3 | 21.1° | 88.6° |
| NAM | CAH | CAE | CAF | 175.7° | 179.9° |
| NAM | CAH | CAE | HAE | 4.3° | 0.0° |
| CAE | CAH | NAM | CAC | 174.4° | 150.6° |
| CAE | CAH | NAM | CAD | 6.8° | 30.0° |
| CAH | CAE | CAF | HAE | 180.0° | 179.9° |
| CAH | CAE | CAF | CAK | 0.1° | 0.0° |
| CAH | CAE | CAF | HAF | 179.9° | 179.9° |
| CAC | NAM | CAD | HAD1 | 99.1° | 32.3° |
| CAC | NAM | CAD | HAD2 | 20.9° | 152.4° |
| CAC | NAM | CAD | HAD3 | 140.9° | 87.7° |
| NAM | CAC | HAC1 | HAC2 | 120.0° | 120.9° |
| NAM | CAC | HAC1 | HAC3 | 120.0° | 120.9° |
| NAM | CAC | HAC2 | HAC3 | 120.0° | 120.9° |
| NAM | CAD | HAD1 | HAD2 | 120.0° | 120.9° |
| NAM | CAD | HAD1 | HAD3 | 120.0° | 120.9° |
| NAM | CAD | HAD2 | HAD3 | 120.0° | 120.9° |
| CAD | NAM | CAC | HAC1 | 82.3° | 147.9° |
| CAD | NAM | CAC | HAC2 | 37.7° | 28.0° |
| CAD | NAM | CAC | HAC3 | 157.7° | 92.0° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 118.2° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 118.3° |
| CAE | CAF | CAK | HAF | 180.0° | 179.9° |
| CAE | CAF | CAK | CAI | 177.7° | 180.0° |
| HAE | CAE | CAF | CAK | 179.9° | 179.9° |
| HAE | CAE | CAF | HAF | 0.1° | 0.0° |
| CAF | CAK | CAI | NAN | 177.9° | 179.9° |
| CAF | CAK | CAI | OAO | 1.2° | 0.1° |
| HAF | CAF | CAK | CAI | 2.2° | 0.0° |
| CAK | CAI | NAN | OAO | 179.0° | 180.0° |
| CAK | CAI | NAN | CB | 175.4° | 179.8° |
| CAI | NAN | CB | CA | 86.9° | 117.5° |
| CAI | NAN | CB | HB3 | 33.2° | 120.0° |
| CAI | NAN | CB | HB2 | 155.1° | 4.5° |
| OAO | CAI | NAN | CB | 3.6° | 0.2° |
| NAN | CB | CA | HB3 | 120.0° | 120.3° |
| NAN | CB | CA | HB2 | 118.0° | 119.6° |
| NAN | CB | HB3 | HB2 | 118.1° | 114.9° |
| NAN | CB | CA | C | 172.3° | 59.7° |
| NAN | CB | CA | N | 70.0° | 178.8° |
| NAN | CB | CA | HA | 49.8° | 62.5° |
| CA | CB | HB3 | HB2 | 118.1° | 122.1° |
| CB | CA | C | N | 119.7° | 122.1° |
| CB | CA | C | HA | 120.7° | 123.6° |
| CB | CA | N | HA | 120.9° | 122.2° |
| CB | CA | C | O | 86.4° | 86.4° |
| CB | CA | C | OXT | 93.0° | 91.3° |
| CB | CA | N | H | 44.9° | 154.7° |
| CB | CA | N | H2 | 75.1° | 11.8° |
| HB3 | CB | CA | C | 52.3° | 180.0° |
| HB3 | CB | CA | N | 170.0° | 60.9° |
| HB3 | CB | CA | HA | 70.2° | 57.8° |
| HB2 | CB | CA | C | 69.7° | 59.8° |
| HB2 | CB | CA | N | 48.0° | 59.3° |
| HB2 | CB | CA | HA | 167.7° | 177.9° |
| C | CA | N | HA | 122.6° | 116.9° |
| CA | C | O | OXT | 179.4° | 177.5° |
| C | CA | N | H | 71.6° | 84.4° |
| C | CA | N | H2 | 168.4° | 109.1° |
| CA | C | OXT | HXT | 179.4° | 177.8° |
| N | CA | C | O | 33.3° | 35.7° |
| N | CA | C | OXT | 147.3° | 146.6° |
| CA | N | H | H2 | 120.0° | 166.3° |
| HA | CA | C | O | 152.9° | 150.0° |
| HA | CA | C | OXT | 27.7° | 32.3° |
| HA | CA | N | H | 165.8° | 32.5° |
| HA | CA | N | H2 | 45.8° | 134.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
