P9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CAG | CAH | sing | 1.53Å | 1.51Å | |
| CAG | SAF | sing | 1.81Å | 1.83Å | |
| CB | SAF | sing | 1.81Å | 1.80Å | |
| OAJ | CAH | sing | 1.43Å | 1.44Å | |
| CAH | CAI | sing | 1.53Å | 1.54Å | |
| OAK | CAI | sing | 1.43Å | 1.42Å | |
| OAK | H1 | sing | 0.97Å | 0.95Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| OAJ | H5 | sing | 0.97Å | 0.95Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 110.1° | 109.5° |
| N | CA | CB | 115.0° | 109.5° |
| N | CA | HA | 109.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C | CA | CB | 103.2° | 109.5° |
| CA | C | O | 120.2° | 120.0° |
| C | CA | HA | 109.2° | 109.5° |
| CA | C | OXT | 117.2° | 120.0° |
| CA | CB | SAF | 108.0° | 109.5° |
| CA | CB | H8 | 109.8° | 109.5° |
| CA | CB | H9 | 109.8° | 109.5° |
| CB | CA | HA | 109.2° | 109.4° |
| O | C | OXT | 122.6° | 120.0° |
| CAH | CAG | SAF | 105.4° | 109.5° |
| CAG | CAH | OAJ | 108.5° | 109.5° |
| CAG | CAH | CAI | 109.4° | 109.5° |
| CAG | CAH | H4 | 109.2° | 109.5° |
| CAH | CAG | H6 | 110.5° | 109.5° |
| CAH | CAG | H7 | 110.5° | 109.5° |
| CAG | SAF | CB | 102.1° | 103.0° |
| SAF | CAG | H6 | 110.5° | 109.4° |
| SAF | CAG | H7 | 110.5° | 109.5° |
| SAF | CB | H8 | 109.8° | 109.5° |
| SAF | CB | H9 | 109.8° | 109.4° |
| OAJ | CAH | CAI | 110.6° | 109.4° |
| OAJ | CAH | H4 | 110.2° | 109.4° |
| CAH | OAJ | H5 | 109.5° | 114.0° |
| CAH | CAI | OAK | 105.2° | 109.5° |
| CAH | CAI | H14 | 110.5° | 109.5° |
| CAH | CAI | H3 | 110.5° | 109.5° |
| CAI | CAH | H4 | 108.8° | 109.5° |
| CAI | OAK | H1 | 109.5° | 114.0° |
| OAK | CAI | H14 | 110.5° | 109.5° |
| OAK | CAI | H3 | 110.5° | 109.5° |
| H14 | CAI | H3 | 109.5° | 109.4° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H8 | CB | H9 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 123.2° | 120.0° |
| N | CA | C | HA | 120.7° | 120.0° |
| N | CA | CB | HA | 124.0° | 120.0° |
| N | CA | C | O | 85.2° | 20.0° |
| N | CA | CB | SAF | 132.1° | 60.0° |
| N | CA | CB | H8 | 12.3° | 180.0° |
| N | CA | CB | H9 | 108.1° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 96.5° | 160.0° |
| C | CA | CB | HA | 116.1° | 120.0° |
| CA | C | O | OXT | 178.2° | 180.0° |
| C | CA | CB | SAF | 108.0° | 180.0° |
| C | CA | CB | H8 | 132.2° | 60.0° |
| C | CA | CB | H9 | 11.8° | 60.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 178.2° | 180.0° |
| CB | CA | C | O | 38.0° | 100.0° |
| CA | CB | SAF | CAG | 39.9° | 180.0° |
| CA | CB | SAF | H8 | 119.8° | 120.0° |
| CA | CB | SAF | H9 | 119.7° | 120.0° |
| CA | CB | H8 | H9 | 120.6° | 120.0° |
| CB | CA | N | H | 64.0° | 176.0° |
| CB | CA | N | H2 | 176.0° | 60.0° |
| CB | CA | C | OXT | 140.3° | 79.9° |
| O | C | CA | HA | 154.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CAH | CAG | SAF | H6 | 119.4° | 120.0° |
| CAH | CAG | SAF | H7 | 119.4° | 120.0° |
| CAH | CAG | SAF | CB | 160.9° | 180.0° |
| CAG | CAH | OAJ | CAI | 120.0° | 120.0° |
| CAG | CAH | OAJ | H4 | 119.6° | 120.0° |
| CAG | CAH | CAI | H4 | 119.3° | 120.1° |
| CAG | CAH | CAI | OAK | 84.8° | 175.0° |
| CAG | CAH | CAI | H14 | 34.5° | 64.9° |
| CAG | CAH | CAI | H3 | 155.9° | 55.0° |
| CAG | CAH | OAJ | H5 | 180.0° | 59.9° |
| CAH | CAG | H6 | H7 | 121.8° | 120.0° |
| SAF | CAG | CAH | OAJ | 107.3° | 60.0° |
| SAF | CAG | CAH | CAI | 13.5° | 180.0° |
| SAF | CAG | CAH | H4 | 132.5° | 59.9° |
| SAF | CAG | H6 | H7 | 121.9° | 120.0° |
| CAG | SAF | CB | H8 | 79.9° | 60.0° |
| CAG | SAF | CB | H9 | 159.6° | 60.0° |
| CB | SAF | CAG | H6 | 41.5° | 60.0° |
| CB | SAF | CAG | H7 | 79.8° | 60.0° |
| SAF | CB | H8 | H9 | 120.7° | 120.0° |
| SAF | CB | CA | HA | 8.1° | 60.0° |
| OAJ | CAH | CAI | H4 | 121.2° | 119.9° |
| OAJ | CAH | CAI | OAK | 155.7° | 65.0° |
| OAJ | CAH | CAI | H14 | 85.0° | 55.1° |
| OAJ | CAH | CAI | H3 | 36.4° | 175.0° |
| OAJ | CAH | CAG | H6 | 133.3° | 60.0° |
| OAJ | CAH | CAG | H7 | 12.1° | 180.0° |
| CAH | CAI | OAK | H14 | 119.3° | 120.0° |
| CAH | CAI | OAK | H3 | 119.3° | 120.0° |
| CAH | CAI | OAK | H1 | 180.0° | 179.9° |
| CAH | CAI | H14 | H3 | 122.0° | 119.9° |
| CAI | CAH | OAJ | H5 | 59.9° | 60.1° |
| CAI | CAH | CAG | H6 | 105.9° | 60.0° |
| CAI | CAH | CAG | H7 | 132.9° | 60.0° |
| OAK | CAI | H14 | H3 | 122.0° | 120.0° |
| OAK | CAI | CAH | H4 | 34.5° | 55.0° |
| H1 | OAK | CAI | H14 | 60.7° | 60.0° |
| H1 | OAK | CAI | H3 | 60.6° | 59.9° |
| H14 | CAI | CAH | H4 | 153.8° | 175.0° |
| H3 | CAI | CAH | H4 | 84.9° | 65.1° |
| H4 | CAH | OAJ | H5 | 60.5° | 180.0° |
| H4 | CAH | CAG | H6 | 13.2° | 179.9° |
| H4 | CAH | CAG | H7 | 108.1° | 60.0° |
| H8 | CB | CA | HA | 111.7° | 60.0° |
| H9 | CB | CA | HA | 127.8° | 180.0° |
| HA | CA | N | H | 59.7° | 56.1° |
| HA | CA | N | H2 | 60.4° | 180.0° |
| HA | CA | C | OXT | 24.2° | 40.0° |
