S2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| CB | SG | sing | 1.81Å | 1.79Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| SG | CD | sing | 1.82Å | 1.79Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CE | B | sing | 1.60Å | 1.55Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| B | O1 | sing | 1.37Å | 1.44Å | |
| B | O2 | sing | 1.37Å | 1.43Å | |
| B | O3 | sing | 1.37Å | 1.46Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 117.0° |
| OXT | C | CA | 111.7° | 120.0° |
| OXT | C | O | 121.7° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| N | CA | C | 111.2° | 109.5° |
| N | CA | CB | 104.8° | 109.5° |
| N | CA | HA | 113.1° | 109.5° |
| H | N | HN2 | 109.5° | 111.0° |
| C | CA | CB | 114.1° | 109.4° |
| C | CA | HA | 103.7° | 109.5° |
| CA | C | O | 126.5° | 120.0° |
| CB | CA | HA | 110.2° | 109.5° |
| CA | CB | SG | 110.4° | 109.4° |
| CA | CB | HB1 | 109.2° | 109.5° |
| CA | CB | HB2 | 109.2° | 109.5° |
| SG | CB | HB1 | 109.2° | 109.5° |
| SG | CB | HB2 | 109.2° | 109.5° |
| CB | SG | CD | 96.7° | 103.0° |
| HB1 | CB | HB2 | 109.7° | 109.5° |
| SG | CD | CE | 109.1° | 109.4° |
| SG | CD | HD1 | 109.6° | 109.5° |
| SG | CD | HD2 | 109.6° | 109.4° |
| CE | CD | HD1 | 109.6° | 109.5° |
| CE | CD | HD2 | 109.6° | 109.4° |
| CD | CE | B | 114.9° | 109.4° |
| CD | CE | HE1 | 107.7° | 109.5° |
| CD | CE | HE2 | 107.7° | 109.4° |
| HD1 | CD | HD2 | 109.3° | 109.6° |
| B | CE | HE1 | 107.7° | 109.5° |
| B | CE | HE2 | 107.7° | 109.4° |
| CE | B | O1 | 113.2° | 109.4° |
| CE | B | O2 | 109.4° | 109.4° |
| CE | B | O3 | 112.1° | 109.4° |
| HE1 | CE | HE2 | 111.2° | 109.5° |
| O1 | B | O2 | 107.1° | 109.5° |
| O1 | B | O3 | 107.5° | 109.5° |
| B | O1 | HO1 | 109.5° | 114.0° |
| O2 | B | O3 | 107.2° | 109.5° |
| B | O2 | HO2 | 109.5° | 114.1° |
| B | O3 | HO3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | N | 172.0° | 160.0° |
| OXT | C | CA | O | 179.4° | 179.9° |
| OXT | C | CA | CB | 69.8° | 80.1° |
| OXT | C | CA | HA | 50.1° | 40.0° |
| HXT | OXT | C | CA | 179.4° | 180.0° |
| HXT | OXT | C | O | 0.0° | 0.1° |
| CA | N | H | HN2 | 120.0° | 124.0° |
| N | CA | C | CB | 118.3° | 120.0° |
| N | CA | C | HA | 121.8° | 120.0° |
| N | CA | CB | HA | 122.0° | 120.0° |
| N | CA | C | O | 7.4° | 20.0° |
| N | CA | CB | SG | 123.9° | 60.0° |
| N | CA | CB | HB1 | 3.9° | 60.0° |
| N | CA | CB | HB2 | 116.1° | 180.0° |
| H | N | CA | C | 180.0° | 64.0° |
| H | N | CA | CB | 56.3° | 176.0° |
| H | N | CA | HA | 63.8° | 56.0° |
| HN2 | N | CA | C | 60.0° | 60.0° |
| HN2 | N | CA | CB | 176.3° | 60.0° |
| HN2 | N | CA | HA | 56.2° | 180.0° |
| C | CA | CB | HA | 116.1° | 120.0° |
| C | CA | CB | SG | 114.2° | 180.0° |
| C | CA | CB | HB1 | 125.7° | 60.0° |
| C | CA | CB | HB2 | 5.7° | 60.0° |
| CB | CA | C | O | 110.8° | 100.0° |
| CA | CB | SG | HB1 | 120.0° | 120.0° |
| CA | CB | SG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.7° | 120.0° |
| CA | CB | SG | CD | 173.8° | 180.0° |
| HA | CA | C | O | 129.3° | 140.0° |
| HA | CA | CB | SG | 1.9° | 60.0° |
| HA | CA | CB | HB1 | 118.1° | 180.0° |
| HA | CA | CB | HB2 | 121.9° | 60.0° |
| SG | CB | HB1 | HB2 | 119.6° | 120.0° |
| CB | SG | CD | CE | 153.1° | 180.0° |
| CB | SG | CD | HD1 | 86.8° | 60.0° |
| CB | SG | CD | HD2 | 33.1° | 60.1° |
| HB1 | CB | SG | CD | 53.8° | 60.0° |
| HB2 | CB | SG | CD | 66.2° | 60.0° |
| SG | CD | CE | HD1 | 120.0° | 120.0° |
| SG | CD | CE | HD2 | 120.0° | 119.9° |
| SG | CD | HD1 | HD2 | 120.1° | 120.0° |
| SG | CD | CE | B | 174.3° | 180.0° |
| SG | CD | CE | HE1 | 65.7° | 60.0° |
| SG | CD | CE | HE2 | 54.2° | 60.1° |
| CE | CD | HD1 | HD2 | 120.1° | 120.0° |
| CD | CE | B | HE1 | 120.0° | 120.1° |
| CD | CE | B | HE2 | 120.0° | 119.9° |
| CD | CE | HE1 | HE2 | 117.7° | 120.0° |
| CD | CE | B | O1 | 95.7° | 60.0° |
| CD | CE | B | O2 | 144.9° | 180.0° |
| CD | CE | B | O3 | 26.1° | 60.0° |
| HD1 | CD | CE | B | 54.2° | 60.0° |
| HD1 | CD | CE | HE1 | 174.2° | 179.9° |
| HD1 | CD | CE | HE2 | 65.8° | 59.9° |
| HD2 | CD | CE | B | 65.7° | 60.1° |
| HD2 | CD | CE | HE1 | 54.3° | 59.9° |
| HD2 | CD | CE | HE2 | 174.2° | 180.0° |
| B | CE | HE1 | HE2 | 117.8° | 120.0° |
| CE | B | O1 | O2 | 120.7° | 120.0° |
| CE | B | O1 | O3 | 124.4° | 120.0° |
| CE | B | O2 | O3 | 121.8° | 120.0° |
| CE | B | O1 | HO1 | 180.0° | 180.0° |
| CE | B | O2 | HO2 | 180.0° | 60.0° |
| CE | B | O3 | HO3 | 180.0° | 60.1° |
| HE1 | CE | B | O1 | 24.3° | 60.0° |
| HE1 | CE | B | O2 | 95.1° | 60.0° |
| HE1 | CE | B | O3 | 146.1° | 180.0° |
| HE2 | CE | B | O1 | 144.3° | 180.0° |
| HE2 | CE | B | O2 | 24.9° | 60.0° |
| HE2 | CE | B | O3 | 93.9° | 59.9° |
| O1 | B | O2 | O3 | 115.1° | 120.1° |
| O1 | B | O2 | HO2 | 56.9° | 60.0° |
| O1 | B | O3 | HO3 | 54.9° | 59.9° |
| O2 | B | O1 | HO1 | 59.3° | 60.0° |
| O2 | B | O3 | HO3 | 59.9° | 180.0° |
| O3 | B | O1 | HO1 | 55.7° | 60.1° |
| O3 | B | O2 | HO2 | 58.2° | 180.0° |
