TQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4 | S3 | sing | 2.05Å | 2.15Å | |
| S3 | S2 | sing | 2.05Å | 2.00Å | |
| S2 | S1 | sing | 2.05Å | 2.00Å | |
| S1 | SG | sing | 2.05Å | 2.00Å | |
| SG | CB | sing | 1.81Å | 1.76Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.41Å | |
| C | OXT | sing | 1.34Å | 1.49Å | |
| S4 | H4 | sing | 1.34Å | 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 | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S4 | S3 | S2 | 125.8° | 103.0° |
| S3 | S4 | H4 | 102.0° | 103.0° |
| S3 | S2 | S1 | 113.0° | 103.0° |
| S2 | S1 | SG | 110.8° | 103.0° |
| S1 | SG | CB | 110.9° | 103.0° |
| SG | CB | CA | 108.9° | 109.4° |
| SG | CB | HB2 | 109.6° | 109.4° |
| SG | CB | HB3 | 109.6° | 109.5° |
| CB | CA | N | 112.0° | 109.5° |
| CB | CA | C | 110.9° | 109.4° |
| CA | CB | HB2 | 109.6° | 109.5° |
| CA | CB | HB3 | 109.6° | 109.5° |
| CB | CA | HA | 109.1° | 109.5° |
| N | CA | C | 105.6° | 109.5° |
| N | CA | HA | 110.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 115.8° | 120.0° |
| CA | C | OXT | 126.7° | 120.0° |
| C | CA | HA | 109.2° | 109.4° |
| O | C | OXT | 117.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S4 | S3 | S2 | S1 | 134.9° | 85.0° |
| S3 | S2 | S1 | SG | 64.0° | 85.0° |
| S2 | S3 | S4 | H4 | 180.0° | 180.0° |
| S2 | S1 | SG | CB | 74.9° | 95.0° |
| S1 | SG | CB | CA | 45.7° | 70.0° |
| S1 | SG | CB | HB2 | 165.6° | 170.0° |
| S1 | SG | CB | HB3 | 74.2° | 50.0° |
| SG | CB | CA | HB2 | 119.9° | 119.9° |
| SG | CB | CA | HB3 | 119.9° | 120.0° |
| SG | CB | CA | N | 179.6° | 60.1° |
| SG | CB | CA | C | 61.8° | 180.0° |
| SG | CB | HB2 | HB3 | 120.3° | 120.0° |
| SG | CB | CA | HA | 58.4° | 60.0° |
| CB | CA | N | C | 120.8° | 120.0° |
| CB | CA | N | HA | 121.5° | 120.1° |
| CB | CA | C | HA | 120.2° | 120.0° |
| CB | CA | C | O | 57.7° | 100.0° |
| CB | CA | C | OXT | 127.9° | 80.0° |
| CA | CB | HB2 | HB3 | 120.3° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| N | CA | C | HA | 118.3° | 120.0° |
| N | CA | C | O | 63.8° | 20.0° |
| N | CA | C | OXT | 110.6° | 160.0° |
| N | CA | CB | HB2 | 59.7° | 180.0° |
| N | CA | CB | HB3 | 60.5° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CA | C | O | OXT | 175.0° | 180.0° |
| C | CA | CB | HB2 | 58.1° | 60.0° |
| C | CA | CB | HB3 | 178.3° | 60.0° |
| C | CA | N | H | 59.2° | 63.9° |
| C | CA | N | H2 | 60.8° | 60.0° |
| CA | C | OXT | HXT | 174.4° | 180.0° |
| O | C | CA | HA | 177.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 7.7° | 40.0° |
| HB2 | CB | CA | HA | 178.3° | 59.9° |
| HB3 | CB | CA | HA | 61.5° | 180.0° |
| HA | CA | N | H | 58.5° | 56.0° |
| HA | CA | N | H2 | 178.5° | 179.9° |
