PSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | SE | sing | 1.96Å | 1.95Å | |
| SE | SD | sing | 2.21Å | 2.13Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| SD | HD | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 104.9° | 109.5° |
| N | CA | CB | 125.5° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 100.8° | 109.5° |
| O | C | CA | 122.9° | 120.0° |
| O | C | OXT | 123.7° | 120.0° |
| CA | C | OXT | 113.3° | 120.0° |
| C | CA | CB | 106.9° | 109.4° |
| C | CA | HA | 121.7° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | CB | SE | 113.3° | 109.5° |
| CB | CA | HA | 98.5° | 109.5° |
| CA | CB | HB1C | 108.2° | 109.4° |
| CA | CB | HB2C | 107.4° | 109.5° |
| CB | SE | SD | 102.1° | 101.0° |
| SE | CB | HB1C | 108.2° | 109.5° |
| SE | CB | HB2C | 107.4° | 109.5° |
| SE | SD | HD | 109.5° | 103.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB1C | CB | HB2C | 112.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | O | 62.4° | 20.0° |
| N | CA | C | CB | 135.2° | 120.0° |
| N | CA | C | HA | 113.1° | 120.1° |
| N | CA | C | OXT | 115.5° | 160.0° |
| N | CA | CB | HA | 109.9° | 120.0° |
| N | CA | CB | SE | 33.5° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB1C | 153.5° | 55.0° |
| N | CA | CB | HB2C | 84.8° | 175.0° |
| O | C | CA | OXT | 177.9° | 180.0° |
| O | C | CA | CB | 72.8° | 100.0° |
| O | C | CA | HA | 175.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | HA | 126.9° | 120.0° |
| C | CA | CB | SE | 89.6° | 175.0° |
| C | CA | N | H | 69.3° | 64.0° |
| C | CA | N | H2 | 170.7° | 59.9° |
| CA | C | OXT | HXT | 177.9° | 180.0° |
| C | CA | CB | HB1C | 30.4° | 65.0° |
| C | CA | CB | HB2C | 152.0° | 55.0° |
| OXT | C | CA | CB | 109.3° | 80.0° |
| OXT | C | CA | HA | 2.4° | 40.0° |
| CA | CB | SE | HB1C | 120.0° | 119.9° |
| CA | CB | SE | HB2C | 118.4° | 120.0° |
| CA | CB | SE | SD | 150.4° | 180.0° |
| CB | CA | N | H | 54.7° | 176.1° |
| CB | CA | N | H2 | 65.3° | 60.0° |
| CA | CB | HB1C | HB2C | 118.4° | 120.0° |
| SE | CB | CA | HA | 143.5° | 55.0° |
| SE | CB | HB1C | HB2C | 118.5° | 120.0° |
| CB | SE | SD | HD | 28.3° | 180.0° |
| SD | SE | CB | HB1C | 89.6° | 60.0° |
| SD | SE | CB | HB2C | 32.1° | 60.0° |
| H | N | CA | HA | 163.6° | 56.1° |
| H2 | N | CA | HA | 43.5° | 180.0° |
| HA | CA | CB | HB1C | 96.5° | 175.0° |
| HA | CA | CB | HB2C | 25.1° | 65.0° |
