CPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | CA | sing | 1.53Å | 1.64Å | |
| CA1 | S | sing | 1.81Å | 1.74Å | |
| CA1 | HA11 | sing | 1.09Å | 1.11Å | |
| CA1 | HA12 | sing | 1.09Å | 1.11Å | |
| CA | C | sing | 1.51Å | 1.68Å | |
| CA | CB | sing | 1.53Å | 1.68Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.39Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.67Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.58Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.51Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.62Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.63Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.18Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.59Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| S | N1 | doub | 1.49Å | 1.62Å | |
| S | N2 | doub | 1.49Å | 1.57Å | |
| S | CM | sing | 1.81Å | 1.75Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CM | HM1 | sing | 1.09Å | 1.12Å | |
| CM | HM2 | sing | 1.09Å | 1.12Å | |
| CM | HM3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | CA1 | S | 107.7° | 109.5° |
| CA | CA1 | HA11 | 112.8° | 109.5° |
| CA | CA1 | HA12 | 112.9° | 109.5° |
| CA1 | CA | C | 102.4° | 109.4° |
| CA1 | CA | CB | 93.8° | 109.5° |
| CA1 | CA | HA | 120.7° | 109.5° |
| S | CA1 | HA11 | 112.8° | 109.5° |
| S | CA1 | HA12 | 112.9° | 109.5° |
| CA1 | S | N1 | 105.4° | 109.4° |
| CA1 | S | N2 | 111.3° | 109.5° |
| CA1 | S | CM | 107.6° | 109.5° |
| HA11 | CA1 | HA12 | 97.7° | 109.4° |
| C | CA | CB | 103.3° | 109.5° |
| C | CA | HA | 113.2° | 109.5° |
| CA | C | O | 118.6° | 120.0° |
| CA | C | OXT | 109.4° | 120.0° |
| CB | CA | HA | 120.1° | 109.5° |
| CA | CB | CG | 98.7° | 109.5° |
| CA | CB | HB1 | 116.3° | 109.5° |
| CA | CB | HB2 | 116.3° | 109.5° |
| O | C | OXT | 132.0° | 119.9° |
| C | OXT | HXT | 109.4° | 120.0° |
| CG | CB | HB1 | 116.4° | 109.4° |
| CG | CB | HB2 | 116.3° | 109.5° |
| CB | CG | CD1 | 113.1° | 120.0° |
| CB | CG | CD2 | 118.0° | 120.0° |
| HB1 | CB | HB2 | 94.1° | 109.5° |
| CD1 | CG | CD2 | 128.9° | 120.0° |
| CG | CD1 | CE1 | 105.5° | 120.0° |
| CG | CD1 | HD1 | 126.1° | 120.0° |
| CG | CD2 | CE2 | 118.0° | 120.0° |
| CG | CD2 | HD2 | 117.4° | 120.0° |
| CE1 | CD1 | HD1 | 128.4° | 120.0° |
| CD1 | CE1 | CZ | 125.6° | 120.0° |
| CD1 | CE1 | HE1 | 134.5° | 120.0° |
| CE2 | CD2 | HD2 | 124.5° | 120.0° |
| CD2 | CE2 | CZ | 106.0° | 120.0° |
| CD2 | CE2 | HE2 | 127.8° | 120.0° |
| CZ | CE1 | HE1 | 99.9° | 120.0° |
| CE1 | CZ | CE2 | 135.9° | 120.0° |
| CE1 | CZ | HZ | 91.7° | 120.0° |
| CZ | CE2 | HE2 | 126.2° | 120.0° |
| CE2 | CZ | HZ | 132.4° | 120.0° |
| N1 | S | N2 | 115.8° | 109.4° |
| N1 | S | CM | 107.8° | 109.4° |
| S | N1 | HN1 | 112.0° | 120.0° |
| N2 | S | CM | 108.7° | 109.5° |
| S | N2 | HN2 | 111.5° | 119.9° |
| S | CM | HM1 | 107.5° | 109.5° |
| S | CM | HM2 | 112.9° | 109.5° |
| S | CM | HM3 | 112.9° | 109.4° |
| HM1 | CM | HM2 | 112.9° | 109.4° |
| HM1 | CM | HM3 | 112.9° | 109.4° |
| HM2 | CM | HM3 | 97.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | CA1 | S | HA11 | 125.2° | 120.0° |
| CA | CA1 | S | HA12 | 125.3° | 120.1° |
| CA | CA1 | HA11 | HA12 | 118.8° | 120.0° |
| CA1 | CA | C | CB | 97.0° | 120.0° |
| CA1 | CA | C | HA | 131.6° | 120.0° |
| CA1 | CA | CB | HA | 129.0° | 120.0° |
| CA1 | CA | C | O | 35.5° | 36.3° |
| CA1 | CA | C | OXT | 143.9° | 143.8° |
| CA1 | CA | CB | CG | 170.9° | 180.0° |
| CA1 | CA | CB | HB1 | 63.9° | 60.1° |
| CA1 | CA | CB | HB2 | 45.6° | 60.0° |
| CA | CA1 | S | N1 | 43.4° | 51.9° |
| CA | CA1 | S | N2 | 82.9° | 68.1° |
| CA | CA1 | S | CM | 158.2° | 171.8° |
| S | CA1 | HA11 | HA12 | 118.8° | 120.0° |
| S | CA1 | CA | C | 89.8° | 173.8° |
| S | CA1 | CA | CB | 165.7° | 66.2° |
| S | CA1 | CA | HA | 37.2° | 53.8° |
| CA1 | S | N1 | N2 | 123.4° | 120.0° |
| CA1 | S | N1 | CM | 114.7° | 120.0° |
| CA1 | S | N2 | CM | 118.2° | 120.1° |
| CA1 | S | N1 | HN1 | 94.7° | 58.2° |
| CA1 | S | N2 | HN2 | 103.7° | 60.0° |
| CA1 | S | CM | HM1 | 180.0° | 180.0° |
| CA1 | S | CM | HM2 | 54.8° | 60.0° |
| CA1 | S | CM | HM3 | 54.8° | 60.1° |
| HA11 | CA1 | CA | C | 35.4° | 66.2° |
| HA11 | CA1 | CA | CB | 69.1° | 53.8° |
| HA11 | CA1 | CA | HA | 162.4° | 173.8° |
| HA11 | CA1 | S | N1 | 168.6° | 171.9° |
| HA11 | CA1 | S | N2 | 42.4° | 52.0° |
| HA11 | CA1 | S | CM | 76.5° | 68.2° |
| HA12 | CA1 | CA | C | 145.0° | 53.7° |
| HA12 | CA1 | CA | CB | 40.5° | 173.7° |
| HA12 | CA1 | CA | HA | 88.1° | 66.2° |
| HA12 | CA1 | S | N1 | 81.8° | 68.2° |
| HA12 | CA1 | S | N2 | 151.9° | 171.9° |
| HA12 | CA1 | S | CM | 33.0° | 51.8° |
| C | CA | CB | HA | 127.2° | 120.0° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | CB | CG | 67.1° | 60.1° |
| C | CA | CB | HB1 | 167.6° | 179.9° |
| C | CA | CB | HB2 | 58.1° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 61.5° | 83.7° |
| CB | CA | C | OXT | 119.2° | 96.2° |
| CA | CB | CG | HB1 | 125.2° | 119.9° |
| CA | CB | CG | HB2 | 125.2° | 120.1° |
| CA | CB | HB1 | HB2 | 122.1° | 120.1° |
| CA | CB | CG | CD1 | 97.8° | 90.0° |
| CA | CB | CG | CD2 | 82.1° | 90.4° |
| HA | CA | C | O | 167.1° | 156.2° |
| HA | CA | C | OXT | 12.3° | 23.8° |
| HA | CA | CB | CG | 60.1° | 59.9° |
| HA | CA | CB | HB1 | 65.2° | 59.9° |
| HA | CA | CB | HB2 | 174.6° | 180.0° |
| O | C | OXT | HXT | 0.7° | 0.0° |
| CG | CB | HB1 | HB2 | 122.1° | 120.0° |
| CB | CG | CD1 | CD2 | 179.9° | 179.6° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CB | CG | CD1 | HD1 | 0.7° | 0.2° |
| CB | CG | CD2 | CE2 | 179.1° | 179.8° |
| CB | CG | CD2 | HD2 | 0.8° | 0.3° |
| HB1 | CB | CG | CD1 | 27.4° | 29.9° |
| HB1 | CB | CG | CD2 | 152.6° | 149.7° |
| HB2 | CB | CG | CD1 | 137.0° | 149.9° |
| HB2 | CB | CG | CD2 | 43.1° | 29.8° |
| CG | CD1 | CE1 | HD1 | 179.9° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.8° | 0.6° |
| CD1 | CG | CD2 | HD2 | 179.3° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.4° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.6° | 0.4° |
| CD2 | CG | CD1 | HD1 | 179.4° | 179.8° |
| CG | CD2 | CE2 | HD2 | 179.9° | 179.5° |
| CG | CD2 | CE2 | CZ | 0.6° | 0.6° |
| CG | CD2 | CE2 | HE2 | 179.3° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.9° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.2° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.4° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.8° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | HZ | 179.2° | 179.8° |
| HD2 | CD2 | CE2 | CZ | 179.4° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.6° | 0.2° |
| CE1 | CZ | CE2 | HZ | 179.9° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.2° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.1° | 179.9° |
| HE1 | CE1 | CZ | HZ | 0.8° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.8° | 0.1° |
| N1 | S | N2 | CM | 121.4° | 119.9° |
| N1 | S | N2 | HN2 | 16.7° | 180.0° |
| N1 | S | CM | HM1 | 66.8° | 60.0° |
| N1 | S | CM | HM2 | 168.0° | 60.0° |
| N1 | S | CM | HM3 | 58.4° | 180.0° |
| N2 | S | N1 | HN1 | 141.8° | 178.2° |
| N2 | S | CM | HM1 | 59.4° | 59.9° |
| N2 | S | CM | HM2 | 65.8° | 179.9° |
| N2 | S | CM | HM3 | 175.3° | 60.0° |
| CM | S | N1 | HN1 | 19.9° | 61.8° |
| CM | S | N2 | HN2 | 138.1° | 60.1° |
| S | CM | HM1 | HM2 | 125.2° | 120.0° |
| S | CM | HM1 | HM3 | 125.3° | 119.9° |
| S | CM | HM2 | HM3 | 118.9° | 120.0° |
| HM1 | CM | HM2 | HM3 | 118.9° | 120.0° |
