060
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CS | S | sing | 1.81Å | 1.83Å | |
| CS | HCS1 | sing | 1.09Å | 1.10Å | |
| CS | HCS2 | sing | 1.09Å | 1.10Å | |
| CS | HB | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| S | C1 | sing | 1.81Å | 1.81Å | |
| C1 | CA | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O | C | doub | 1.21Å | 1.32Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | CS | HCS1 | 109.5° | 109.5° |
| S | CS | HCS2 | 109.4° | 109.5° |
| S | CS | HB | 109.4° | 109.5° |
| CS | S | C1 | 102.2° | 103.0° |
| HCS1 | CS | HCS2 | 109.5° | 109.5° |
| HCS1 | CS | HB | 109.5° | 109.5° |
| HCS2 | CS | HB | 109.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C1 | 108.9° | 109.5° |
| N | CA | C | 108.0° | 109.4° |
| N | CA | HA | 108.7° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.4° | 111.0° |
| S | C1 | CA | 113.5° | 109.4° |
| S | C1 | H1 | 108.5° | 109.5° |
| S | C1 | H1A | 108.5° | 109.5° |
| CA | C1 | H1 | 108.5° | 109.5° |
| CA | C1 | H1A | 108.4° | 109.4° |
| C1 | CA | C | 115.7° | 109.5° |
| C1 | CA | HA | 107.6° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| CA | C | OXT | 122.2° | 120.0° |
| CA | C | O | 116.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| OXT | C | O | 121.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | CS | HCS1 | HCS2 | 120.0° | 120.0° |
| S | CS | HCS1 | HB | 120.0° | 120.0° |
| S | CS | HCS2 | HB | 119.9° | 120.0° |
| CS | S | C1 | CA | 119.2° | 180.0° |
| CS | S | C1 | H1 | 1.4° | 60.0° |
| CS | S | C1 | H1A | 120.2° | 60.1° |
| HCS1 | CS | HCS2 | HB | 120.0° | 120.0° |
| HCS1 | CS | S | C1 | 180.0° | 60.0° |
| HCS2 | CS | S | C1 | 60.0° | 180.0° |
| HB | CS | S | C1 | 60.0° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C1 | S | 61.3° | 65.0° |
| N | CA | C1 | C | 121.8° | 120.0° |
| N | CA | C1 | HA | 117.7° | 120.0° |
| N | CA | C1 | H1 | 178.1° | 55.0° |
| N | CA | C1 | H1A | 59.3° | 175.0° |
| N | CA | C | HA | 117.2° | 120.0° |
| N | CA | C | OXT | 7.4° | 160.0° |
| N | CA | C | O | 177.2° | 20.0° |
| H | N | CA | C1 | 180.0° | 64.0° |
| H | N | CA | C | 53.6° | 176.0° |
| H | N | CA | HA | 63.0° | 56.0° |
| S | C1 | CA | H1 | 120.6° | 120.0° |
| S | C1 | CA | H1A | 120.6° | 120.0° |
| S | C1 | H1 | H1A | 118.2° | 120.1° |
| S | C1 | CA | C | 60.5° | 175.0° |
| S | C1 | CA | HA | 179.0° | 55.0° |
| CA | C1 | H1 | H1A | 118.1° | 120.0° |
| C1 | CA | C | HA | 120.4° | 120.0° |
| C1 | CA | C | OXT | 115.0° | 80.0° |
| C1 | CA | C | O | 60.5° | 100.0° |
| C1 | CA | N | H2 | 60.0° | 60.0° |
| H1 | C1 | CA | C | 60.1° | 65.0° |
| H1 | C1 | CA | HA | 60.4° | 175.0° |
| H1A | C1 | CA | C | 178.9° | 55.0° |
| H1A | C1 | CA | HA | 58.4° | 65.0° |
| CA | C | OXT | O | 175.2° | 180.0° |
| CA | C | OXT | HXT | 175.2° | 180.0° |
| C | CA | N | H2 | 173.6° | 60.0° |
| HA | CA | C | OXT | 124.6° | 40.0° |
| HA | CA | C | O | 60.0° | 140.0° |
| HA | CA | N | H2 | 57.0° | 180.0° |
| HXT | OXT | C | O | 0.0° | 0.0° |
