9PV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | PAN | doub | 1.48Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | SG | sing | 1.81Å | 1.79Å | |
| OAO | PAN | sing | 1.61Å | 1.54Å | |
| OXT | C | doub | 1.21Å | 1.23Å | |
| PAN | OAQ | sing | 1.61Å | 1.49Å | |
| PAN | OAM | sing | 1.61Å | 1.68Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.46Å | 1.45Å | |
| C | O | sing | 1.34Å | 1.21Å | |
| CAL | OAM | sing | 1.43Å | 1.47Å | |
| CAL | CAA | sing | 1.51Å | 1.51Å | |
| N | CAI | doub | 1.29Å | 1.45Å | |
| CAI | CAF | sing | 1.48Å | 1.43Å | |
| CAA | CAF | doub | 1.40Å | 1.42Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.34Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.41Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.42Å | Aromatic |
| CAE | OAH | sing | 1.36Å | 1.32Å | |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| NAC | CAD | sing | 1.32Å | 1.33Å | Aromatic |
| CAD | CAG | sing | 1.51Å | 1.51Å | |
| OAO | H1 | sing | 0.97Å | 0.95Å | |
| OAQ | H2 | sing | 0.97Å | 0.95Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| OAH | H9 | sing | 0.97Å | 0.95Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| O | H15 | sing | 0.97Å | 0.95Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| SG | H18 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | PAN | OAO | 110.0° | 109.5° |
| OAP | PAN | OAQ | 115.7° | 109.5° |
| OAP | PAN | OAM | 106.3° | 109.5° |
| CA | CB | SG | 102.9° | 109.4° |
| CB | CA | C | 109.1° | 109.4° |
| CB | CA | N | 117.7° | 109.5° |
| CB | CA | H14 | 104.9° | 109.5° |
| CA | CB | H16 | 111.1° | 109.5° |
| CA | CB | H17 | 111.1° | 109.5° |
| SG | CB | H16 | 111.1° | 109.4° |
| SG | CB | H17 | 111.1° | 109.5° |
| CB | SG | H18 | 102.0° | 103.0° |
| OAO | PAN | OAQ | 114.1° | 109.5° |
| OAO | PAN | OAM | 106.4° | 109.5° |
| PAN | OAO | H1 | 109.5° | 114.1° |
| OXT | C | CA | 117.4° | 120.0° |
| OXT | C | O | 124.5° | 120.0° |
| OAQ | PAN | OAM | 103.3° | 109.5° |
| PAN | OAQ | H2 | 109.5° | 114.0° |
| PAN | OAM | CAL | 115.6° | 123.0° |
| C | CA | N | 113.1° | 109.5° |
| CA | C | O | 118.0° | 120.0° |
| C | CA | H14 | 105.0° | 109.4° |
| CA | N | CAI | 127.9° | 120.0° |
| N | CA | H14 | 105.8° | 109.5° |
| C | O | H15 | 109.5° | 117.0° |
| OAM | CAL | CAA | 102.1° | 109.5° |
| OAM | CAL | H3 | 111.3° | 109.5° |
| OAM | CAL | H4 | 111.3° | 109.5° |
| CAL | CAA | CAF | 123.6° | 120.5° |
| CAL | CAA | CAB | 117.4° | 120.5° |
| CAA | CAL | H3 | 111.3° | 109.5° |
| CAA | CAL | H4 | 111.3° | 109.5° |
| N | CAI | CAF | 110.5° | 120.0° |
| N | CAI | H10 | 124.8° | 120.0° |
| CAI | CAF | CAA | 120.3° | 120.9° |
| CAI | CAF | CAE | 122.0° | 121.0° |
| CAF | CAI | H10 | 124.8° | 120.0° |
| CAF | CAA | CAB | 118.9° | 119.1° |
| CAA | CAF | CAE | 117.4° | 118.1° |
| CAA | CAB | NAC | 121.8° | 121.1° |
| CAA | CAB | H5 | 119.1° | 119.5° |
| CAF | CAE | OAH | 119.2° | 120.6° |
| CAF | CAE | CAD | 122.4° | 118.8° |
| CAB | NAC | CAD | 120.5° | 122.2° |
| NAC | CAB | H5 | 119.1° | 119.4° |
| OAH | CAE | CAD | 118.2° | 120.6° |
| CAE | OAH | H9 | 109.5° | 114.0° |
| CAE | CAD | NAC | 118.3° | 120.8° |
| CAE | CAD | CAG | 125.4° | 119.6° |
| NAC | CAD | CAG | 116.1° | 119.6° |
| CAD | CAG | H6 | 109.5° | 109.5° |
| CAD | CAG | H7 | 109.5° | 109.4° |
| CAD | CAG | H8 | 109.4° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H6 | CAG | H8 | 109.4° | 109.5° |
| H7 | CAG | H8 | 109.5° | 109.5° |
| H16 | CB | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | PAN | OAO | OAQ | 132.0° | 120.0° |
| OAP | PAN | OAO | OAM | 114.8° | 120.0° |
| OAP | PAN | OAQ | OAM | 115.7° | 120.0° |
| OAP | PAN | OAM | CAL | 50.4° | 55.0° |
| OAP | PAN | OAO | H1 | 0.0° | 60.0° |
| OAP | PAN | OAQ | H2 | 0.0° | 180.0° |
| CA | CB | SG | H16 | 118.9° | 120.0° |
| CA | CB | SG | H17 | 118.9° | 120.0° |
| CB | CA | C | OXT | 33.2° | 120.0° |
| CB | CA | C | N | 133.1° | 120.0° |
| CB | CA | C | H14 | 112.0° | 120.0° |
| CB | CA | N | H14 | 116.9° | 120.1° |
| CB | CA | C | O | 149.9° | 60.0° |
| CB | CA | N | CAI | 10.8° | 120.0° |
| CA | CB | H16 | H17 | 123.1° | 120.0° |
| CA | CB | SG | H18 | 180.0° | 180.0° |
| SG | CB | CA | C | 101.6° | 175.0° |
| SG | CB | CA | N | 29.0° | 65.0° |
| SG | CB | CA | H14 | 146.3° | 55.0° |
| SG | CB | H16 | H17 | 123.1° | 120.0° |
| OAO | PAN | OAQ | OAM | 115.1° | 120.0° |
| OAO | PAN | OAM | CAL | 66.9° | 175.0° |
| OAO | PAN | OAQ | H2 | 129.2° | 60.0° |
| OXT | C | CA | O | 176.9° | 180.0° |
| OXT | C | CA | N | 166.3° | 0.0° |
| OXT | C | CA | H14 | 78.8° | 120.0° |
| OXT | C | O | H15 | 0.0° | 0.0° |
| OAQ | PAN | OAM | CAL | 172.6° | 65.0° |
| OAQ | PAN | OAO | H1 | 132.0° | 60.0° |
| PAN | OAM | CAL | CAA | 163.1° | 180.0° |
| OAM | PAN | OAO | H1 | 114.8° | 180.0° |
| OAM | PAN | OAQ | H2 | 115.7° | 60.0° |
| PAN | OAM | CAL | H3 | 44.3° | 60.0° |
| PAN | OAM | CAL | H4 | 78.1° | 60.0° |
| C | CA | N | H14 | 114.4° | 120.0° |
| C | CA | N | CAI | 139.5° | 120.0° |
| CA | C | O | H15 | 176.6° | 180.0° |
| C | CA | CB | H16 | 139.5° | 55.0° |
| C | CA | CB | H17 | 17.3° | 65.1° |
| N | CA | C | O | 16.9° | 180.0° |
| CA | N | CAI | CAF | 169.3° | 180.0° |
| CA | N | CAI | H10 | 10.7° | 0.0° |
| N | CA | CB | H16 | 89.9° | 175.0° |
| N | CA | CB | H17 | 147.9° | 55.0° |
| O | C | CA | H14 | 98.1° | 60.0° |
| OAM | CAL | CAA | H3 | 118.8° | 120.0° |
| OAM | CAL | CAA | H4 | 118.8° | 120.0° |
| OAM | CAL | CAA | CAF | 67.2° | 180.0° |
| OAM | CAL | CAA | CAB | 111.3° | 0.3° |
| OAM | CAL | H3 | H4 | 123.4° | 120.0° |
| CAL | CAA | CAF | CAI | 4.6° | 0.1° |
| CAL | CAA | CAF | CAB | 178.5° | 179.7° |
| CAL | CAA | CAF | CAE | 179.4° | 179.8° |
| CAL | CAA | CAB | NAC | 175.7° | 179.9° |
| CAA | CAL | H3 | H4 | 123.4° | 120.0° |
| CAL | CAA | CAB | H5 | 4.4° | 0.0° |
| N | CAI | CAF | H10 | 180.0° | 180.0° |
| N | CAI | CAF | CAA | 131.2° | 180.0° |
| N | CAI | CAF | CAE | 43.4° | 0.2° |
| CAI | N | CA | H14 | 106.1° | 0.0° |
| CAI | CAF | CAA | CAE | 174.8° | 179.8° |
| CAI | CAF | CAA | CAB | 177.0° | 179.7° |
| CAI | CAF | CAE | OAH | 7.7° | 0.0° |
| CAI | CAF | CAE | CAD | 176.7° | 179.8° |
| CAF | CAA | CAB | NAC | 5.8° | 0.3° |
| CAA | CAF | CAE | OAH | 177.6° | 179.8° |
| CAA | CAF | CAE | CAD | 2.0° | 0.5° |
| CAF | CAA | CAL | H3 | 51.6° | 60.0° |
| CAF | CAA | CAL | H4 | 174.0° | 60.0° |
| CAF | CAA | CAB | H5 | 174.2° | 179.7° |
| CAA | CAF | CAI | H10 | 48.8° | 0.0° |
| CAB | CAA | CAF | CAE | 2.1° | 0.5° |
| CAA | CAB | NAC | H5 | 180.0° | 180.0° |
| CAA | CAB | NAC | CAD | 9.5° | 0.0° |
| CAB | CAA | CAL | H3 | 129.9° | 119.7° |
| CAB | CAA | CAL | H4 | 7.5° | 120.3° |
| CAF | CAE | OAH | CAD | 175.7° | 179.8° |
| CAF | CAE | CAD | NAC | 5.5° | 0.2° |
| CAF | CAE | CAD | CAG | 180.0° | 179.7° |
| CAF | CAE | OAH | H9 | 180.0° | 89.7° |
| CAE | CAF | CAI | H10 | 136.6° | 179.8° |
| CAB | NAC | CAD | CAE | 9.0° | 0.1° |
| CAB | NAC | CAD | CAG | 176.1° | 180.0° |
| OAH | CAE | CAD | NAC | 178.9° | 179.9° |
| OAH | CAE | CAD | CAG | 4.4° | 0.0° |
| CAE | CAD | NAC | CAG | 175.0° | 179.9° |
| CAE | CAD | CAG | H6 | 174.6° | 89.9° |
| CAE | CAD | CAG | H7 | 65.4° | 30.1° |
| CAE | CAD | CAG | H8 | 54.6° | 150.0° |
| CAD | CAE | OAH | H9 | 4.3° | 90.0° |
| CAD | NAC | CAB | H5 | 170.5° | 180.0° |
| NAC | CAD | CAG | H6 | 0.0° | 90.0° |
| NAC | CAD | CAG | H7 | 120.0° | 150.0° |
| NAC | CAD | CAG | H8 | 120.0° | 30.1° |
| CAD | CAG | H6 | H7 | 120.0° | 120.0° |
| CAD | CAG | H6 | H8 | 120.0° | 120.0° |
| CAD | CAG | H7 | H8 | 120.0° | 120.0° |
| H6 | CAG | H7 | H8 | 120.0° | 120.0° |
| H14 | CA | CB | H16 | 27.4° | 64.9° |
| H14 | CA | CB | H17 | 94.7° | 175.0° |
| H16 | CB | SG | H18 | 61.1° | 60.0° |
| H17 | CB | SG | H18 | 61.1° | 60.0° |
