TSY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.42Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | SG | sing | 1.81Å | 1.76Å | |
| SG | S1 | sing | 2.05Å | 2.05Å | |
| S1 | S2 | sing | 2.05Å | 2.05Å | |
| S2 | H1 | sing | 1.35Å | 1.30Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 14.17Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 104.5° | 120.0° |
| O | C | OXT | 53.4° | 120.0° |
| C | CA | N | 112.7° | 109.4° |
| C | CA | CB | 113.5° | 109.5° |
| C | CA | HA | 107.0° | 109.5° |
| CA | C | OXT | 96.7° | 120.0° |
| N | CA | CB | 107.4° | 109.5° |
| N | CA | HA | 108.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | CB | SG | 114.2° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.5° |
| CA | CB | HB3 | 108.3° | 109.5° |
| CB | CA | HA | 107.6° | 109.5° |
| CB | SG | S1 | 108.0° | 103.0° |
| SG | CB | HB2 | 108.3° | 109.5° |
| SG | CB | HB3 | 108.3° | 109.5° |
| SG | S1 | S2 | 111.1° | 103.0° |
| S1 | S2 | H1 | 102.0° | 103.0° |
| HB2 | CB | HB3 | 109.4° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 53.8° | 179.9° |
| O | C | CA | N | 66.4° | 20.1° |
| O | C | CA | CB | 56.0° | 99.9° |
| O | C | CA | HA | 174.6° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | CB | 125.8° | 120.0° |
| C | CA | N | HA | 118.2° | 120.0° |
| C | CA | CB | HA | 118.3° | 120.0° |
| C | CA | CB | SG | 57.2° | 174.5° |
| C | CA | CB | HB2 | 177.9° | 54.5° |
| C | CA | CB | HB3 | 63.5° | 65.5° |
| C | CA | N | H | 180.0° | 66.5° |
| C | CA | N | H2 | 60.0° | 169.5° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | CB | HA | 116.5° | 120.0° |
| N | CA | CB | SG | 177.6° | 65.6° |
| N | CA | CB | HB2 | 56.8° | 174.4° |
| N | CA | CB | HB3 | 61.7° | 54.4° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 12.5° | 160.0° |
| CA | CB | SG | HB2 | 120.7° | 120.0° |
| CA | CB | SG | HB3 | 120.7° | 120.0° |
| CA | CB | SG | S1 | 60.0° | 76.5° |
| CA | CB | HB2 | HB3 | 117.8° | 120.0° |
| CB | CA | N | H | 54.2° | 53.5° |
| CB | CA | N | H2 | 174.2° | 70.5° |
| CB | CA | C | OXT | 109.8° | 80.0° |
| CB | SG | S1 | S2 | 112.2° | 95.0° |
| SG | CB | HB2 | HB3 | 117.8° | 120.0° |
| SG | CB | CA | HA | 61.1° | 54.4° |
| SG | S1 | S2 | H1 | 180.0° | 180.0° |
| S1 | SG | CB | HB2 | 60.7° | 163.5° |
| S1 | SG | CB | HB3 | 179.3° | 43.6° |
| HB2 | CB | CA | HA | 59.6° | 65.6° |
| HB3 | CB | CA | HA | 178.2° | 174.4° |
| HA | CA | N | H | 61.8° | 173.5° |
| HA | CA | N | H2 | 58.2° | 49.5° |
| HA | CA | C | OXT | 131.5° | 40.1° |
