PSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | CH | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.47Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.45Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CH | OH | sing | 1.43Å | 1.44Å | |
| CH | CM | sing | 1.53Å | 1.52Å | |
| CH | HC | sing | 1.09Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CM | C | sing | 1.51Å | 1.48Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| 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) |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 106.7° | 109.5° |
| N | CA | CH | 110.9° | 109.5° |
| N | CA | HA | 111.4° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | CH | 107.1° | 109.5° |
| CB | CA | HA | 110.3° | 109.4° |
| CA | CB | CG | 115.5° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| CA | CB | HB3 | 107.9° | 109.5° |
| CH | CA | HA | 110.4° | 109.5° |
| CA | CH | OH | 108.6° | 109.5° |
| CA | CH | CM | 113.2° | 109.5° |
| CA | CH | HC | 108.3° | 109.5° |
| CG | CB | HB2 | 107.9° | 109.4° |
| CG | CB | HB3 | 108.0° | 109.5° |
| CB | CG | CD1 | 120.5° | 120.0° |
| CB | CG | CD2 | 124.0° | 120.0° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| CD1 | CG | CD2 | 114.9° | 120.0° |
| CG | CD1 | CE1 | 124.8° | 120.0° |
| CG | CD1 | HD1 | 117.6° | 120.0° |
| CG | CD2 | CE2 | 124.8° | 120.0° |
| CG | CD2 | HD2 | 117.6° | 120.0° |
| CE1 | CD1 | HD1 | 117.6° | 120.0° |
| CD1 | CE1 | CZ | 118.7° | 120.0° |
| CD1 | CE1 | HE1 | 120.6° | 120.0° |
| CE2 | CD2 | HD2 | 117.6° | 120.0° |
| CD2 | CE2 | CZ | 118.6° | 120.0° |
| CD2 | CE2 | HE2 | 120.7° | 120.0° |
| CZ | CE1 | HE1 | 120.6° | 120.1° |
| CE1 | CZ | CE2 | 117.7° | 120.0° |
| CE1 | CZ | HZ | 121.2° | 119.9° |
| CZ | CE2 | HE2 | 120.7° | 119.9° |
| CE2 | CZ | HZ | 121.1° | 120.1° |
| OH | CH | CM | 108.3° | 109.5° |
| OH | CH | HC | 109.7° | 109.5° |
| CH | OH | HH | 109.5° | 114.0° |
| CM | CH | HC | 108.6° | 109.5° |
| CH | CM | C | 116.5° | 109.5° |
| CH | CM | HM1 | 107.7° | 109.5° |
| CH | CM | HM2 | 107.7° | 109.4° |
| C | CM | HM1 | 107.7° | 109.5° |
| C | CM | HM2 | 107.7° | 109.5° |
| CM | C | O | 122.3° | 120.0° |
| CM | C | OXT | 111.7° | 120.0° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| O | C | OXT | 124.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | CH | 118.7° | 120.0° |
| N | CA | CB | HA | 121.1° | 120.0° |
| N | CA | CH | HA | 123.9° | 120.1° |
| N | CA | CB | CG | 63.6° | 65.0° |
| N | CA | CB | HB2 | 57.2° | 55.0° |
| N | CA | CB | HB3 | 175.5° | 174.9° |
| N | CA | CH | OH | 51.7° | 60.0° |
| N | CA | CH | CM | 68.7° | 60.0° |
| N | CA | CH | HC | 170.8° | 180.0° |
| H | N | CA | CB | 180.0° | 176.0° |
| H | N | CA | CH | 63.7° | 64.0° |
| H | N | CA | HA | 59.7° | 56.0° |
| H2 | N | CA | CB | 60.0° | 60.1° |
| H2 | N | CA | CH | 56.2° | 59.9° |
| H2 | N | CA | HA | 179.6° | 180.0° |
| CB | CA | CH | HA | 120.1° | 120.0° |
| CA | CB | CG | HB2 | 120.9° | 120.0° |
| CA | CB | CG | HB3 | 120.9° | 120.1° |
| CA | CB | HB2 | HB3 | 117.3° | 120.0° |
| CA | CB | CG | CD1 | 156.2° | 90.0° |
| CA | CB | CG | CD2 | 33.3° | 90.3° |
| CB | CA | CH | OH | 64.2° | 60.0° |
| CB | CA | CH | CM | 175.3° | 180.0° |
| CB | CA | CH | HC | 54.8° | 60.0° |
| CH | CA | CB | CG | 177.6° | 175.0° |
| CH | CA | CB | HB2 | 61.5° | 65.0° |
| CH | CA | CB | HB3 | 56.8° | 54.9° |
| CA | CH | OH | CM | 123.4° | 120.0° |
| CA | CH | OH | HC | 118.2° | 120.0° |
| CA | CH | CM | HC | 120.4° | 120.0° |
| CA | CH | OH | HH | 180.0° | 60.0° |
| CA | CH | CM | C | 71.4° | 175.0° |
| CA | CH | CM | HM1 | 167.6° | 65.0° |
| CA | CH | CM | HM2 | 49.6° | 55.0° |
| HA | CA | CB | CG | 57.5° | 55.0° |
| HA | CA | CB | HB2 | 178.3° | 175.0° |
| HA | CA | CB | HB3 | 63.4° | 65.0° |
| HA | CA | CH | OH | 175.7° | 180.0° |
| HA | CA | CH | CM | 55.3° | 60.0° |
| HA | CA | CH | HC | 65.2° | 60.0° |
| CG | CB | HB2 | HB3 | 117.3° | 120.0° |
| CB | CG | CD1 | CD2 | 171.3° | 179.7° |
| CB | CG | CD1 | CE1 | 179.0° | 180.0° |
| CB | CG | CD1 | HD1 | 1.0° | 0.0° |
| CB | CG | CD2 | CE2 | 175.8° | 180.0° |
| CB | CG | CD2 | HD2 | 4.2° | 0.0° |
| HB2 | CB | CG | CD1 | 35.4° | 30.0° |
| HB2 | CB | CG | CD2 | 154.2° | 149.7° |
| HB3 | CB | CG | CD1 | 82.9° | 149.9° |
| HB3 | CB | CG | CD2 | 87.5° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 4.9° | 0.3° |
| CD1 | CG | CD2 | HD2 | 175.1° | 179.7° |
| CG | CD1 | CE1 | CZ | 8.3° | 0.0° |
| CG | CD1 | CE1 | HE1 | 171.7° | 180.0° |
| CD2 | CG | CD1 | CE1 | 7.7° | 0.3° |
| CD2 | CG | CD1 | HD1 | 172.3° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 2.9° | 0.0° |
| CG | CD2 | CE2 | HE2 | 177.1° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 5.5° | 0.3° |
| CD1 | CE1 | CZ | HZ | 174.5° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 171.7° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 8.3° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 3.0° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 177.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 177.1° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 2.9° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 177.0° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 174.5° | 179.7° |
| HE1 | CE1 | CZ | HZ | 5.5° | 0.1° |
| HE2 | CE2 | CZ | HZ | 3.0° | 0.1° |
| OH | CH | CM | HC | 119.1° | 120.0° |
| OH | CH | CM | C | 168.0° | 65.0° |
| OH | CH | CM | HM1 | 47.0° | 55.0° |
| OH | CH | CM | HM2 | 70.9° | 175.0° |
| CM | CH | OH | HH | 56.6° | 60.0° |
| CH | CM | C | HM1 | 121.0° | 120.0° |
| CH | CM | C | HM2 | 121.0° | 120.0° |
| CH | CM | HM1 | HM2 | 116.8° | 120.0° |
| CH | CM | C | O | 80.2° | 0.0° |
| CH | CM | C | OXT | 88.1° | 180.0° |
| HC | CH | OH | HH | 61.8° | 180.0° |
| HC | CH | CM | C | 49.0° | 55.0° |
| HC | CH | CM | HM1 | 72.1° | 175.0° |
| HC | CH | CM | HM2 | 170.0° | 65.0° |
| C | CM | HM1 | HM2 | 116.8° | 120.0° |
| CM | C | O | OXT | 166.8° | 180.0° |
| CM | C | OXT | HXT | 168.0° | 180.0° |
| HM1 | CM | C | O | 158.8° | 120.0° |
| HM1 | CM | C | OXT | 32.9° | 60.0° |
| HM2 | CM | C | O | 40.8° | 120.0° |
| HM2 | CM | C | OXT | 150.8° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
