CS4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.35Å | 1.21Å | |
| OXT | HO | sing | 0.98Å | 0.95Å | |
| C | CA | sing | 1.52Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.36Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.44Å | 1.44Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | SG | sing | 1.82Å | 1.76Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| SG | C1J | sing | 1.81Å | 1.77Å | |
| C1J | C1K | sing | 1.53Å | 1.51Å | |
| C1J | H1J1 | sing | 1.10Å | 1.10Å | |
| C1J | H1J2 | sing | 1.09Å | 1.10Å | |
| C1K | C1N | sing | 1.52Å | 1.52Å | |
| C1K | H1K1 | sing | 1.10Å | 1.10Å | |
| C1K | H1K2 | sing | 1.10Å | 1.10Å | |
| C1N | C1Q | sing | 1.49Å | 1.52Å | |
| C1N | O1C | doub | 1.23Å | 1.19Å | |
| C1Q | C1H | doub | 1.38Å | 1.36Å | Aromatic |
| C1Q | C1I | sing | 1.38Å | 1.37Å | Aromatic |
| C1I | C1P | doub | 1.40Å | 1.39Å | Aromatic |
| C1I | H1I | sing | 1.09Å | 1.08Å | |
| C1H | C1G | sing | 1.40Å | 1.35Å | Aromatic |
| C1H | H1H | sing | 1.09Å | 1.08Å | |
| C1G | C1O | doub | 1.40Å | 1.38Å | Aromatic |
| C1G | H1G | sing | 1.09Å | 1.08Å | |
| C1O | CL1D | sing | 1.73Å | 1.70Å | |
| C1O | C1P | sing | 1.39Å | 1.39Å | Aromatic |
| C1P | CL1E | sing | 1.73Å | 1.76Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HO | 109.5° | 112.0° |
| OXT | C | CA | 118.8° | 113.3° |
| OXT | C | O | 124.8° | 122.9° |
| CA | C | O | 116.3° | 123.8° |
| C | CA | CB | 111.0° | 112.4° |
| C | CA | N | 108.1° | 111.9° |
| C | CA | HA | 109.5° | 106.1° |
| CB | CA | N | 109.9° | 112.0° |
| CB | CA | HA | 107.7° | 108.8° |
| CA | CB | SG | 120.1° | 113.8° |
| CA | CB | HB2 | 106.1° | 109.8° |
| CA | CB | HB3 | 103.6° | 110.4° |
| N | CA | HA | 110.6° | 105.2° |
| CA | N | H | 109.5° | 119.0° |
| CA | N | H2 | 109.5° | 119.0° |
| H | N | H2 | 109.4° | 120.6° |
| SG | CB | HB2 | 106.1° | 107.3° |
| SG | CB | HB3 | 103.6° | 107.6° |
| CB | SG | C1J | 106.8° | 98.1° |
| HB2 | CB | HB3 | 118.2° | 107.7° |
| SG | C1J | C1K | 112.3° | 111.8° |
| SG | C1J | H1J1 | 108.5° | 107.7° |
| SG | C1J | H1J2 | 107.9° | 108.6° |
| C1K | C1J | H1J1 | 108.5° | 109.6° |
| C1K | C1J | H1J2 | 107.9° | 111.3° |
| C1J | C1K | C1N | 119.3° | 113.7° |
| C1J | C1K | H1K1 | 106.3° | 109.7° |
| C1J | C1K | H1K2 | 104.0° | 108.1° |
| H1J1 | C1J | H1J2 | 111.7° | 107.7° |
| C1N | C1K | H1K1 | 106.3° | 109.9° |
| C1N | C1K | H1K2 | 104.0° | 106.9° |
| C1K | C1N | C1Q | 127.5° | 118.6° |
| C1K | C1N | O1C | 120.2° | 122.3° |
| H1K1 | C1K | H1K2 | 117.6° | 108.3° |
| C1Q | C1N | O1C | 111.9° | 119.1° |
| C1N | C1Q | C1H | 117.2° | 118.6° |
| C1N | C1Q | C1I | 123.6° | 118.8° |
| C1H | C1Q | C1I | 118.6° | 122.6° |
| C1Q | C1H | C1G | 122.4° | 118.7° |
| C1Q | C1H | H1H | 118.8° | 121.9° |
| C1Q | C1I | C1P | 121.7° | 118.7° |
| C1Q | C1I | H1I | 119.1° | 120.9° |
| C1P | C1I | H1I | 119.1° | 120.4° |
| C1I | C1P | C1O | 116.6° | 120.0° |
| C1I | C1P | CL1E | 118.4° | 117.8° |
| C1G | C1H | H1H | 118.8° | 119.3° |
| C1H | C1G | C1O | 118.6° | 120.0° |
| C1H | C1G | H1G | 120.7° | 119.0° |
| C1O | C1G | H1G | 120.7° | 121.0° |
| C1G | C1O | CL1D | 112.6° | 117.8° |
| C1G | C1O | C1P | 121.9° | 120.0° |
| CL1D | C1O | C1P | 125.4° | 122.2° |
| C1O | C1P | CL1E | 124.9° | 122.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 176.8° | 179.3° |
| OXT | C | CA | CB | 45.5° | 58.1° |
| OXT | C | CA | N | 75.1° | 174.9° |
| OXT | C | CA | HA | 164.3° | 60.8° |
| HO | OXT | C | CA | 176.5° | 179.3° |
| HO | OXT | C | O | 0.0° | 0.0° |
| C | CA | CB | N | 119.6° | 126.9° |
| C | CA | CB | HA | 119.8° | 117.2° |
| C | CA | N | HA | 119.9° | 114.8° |
| C | CA | N | H | 44.3° | 13.0° |
| C | CA | N | H2 | 164.2° | 153.7° |
| C | CA | CB | SG | 62.1° | 59.7° |
| C | CA | CB | HB2 | 57.9° | 179.9° |
| C | CA | CB | HB3 | 176.9° | 61.4° |
| O | C | CA | CB | 137.6° | 121.2° |
| O | C | CA | N | 101.8° | 5.8° |
| O | C | CA | HA | 18.8° | 120.0° |
| CB | CA | N | HA | 118.8° | 118.0° |
| CB | CA | N | H | 77.0° | 114.2° |
| CB | CA | N | H2 | 42.9° | 79.1° |
| CA | CB | SG | HB2 | 120.0° | 121.7° |
| CA | CB | SG | HB3 | 114.8° | 122.7° |
| CA | CB | HB2 | HB3 | 115.6° | 120.3° |
| CA | CB | SG | C1J | 65.3° | 178.3° |
| CA | N | H | H2 | 120.0° | 166.4° |
| N | CA | CB | SG | 178.3° | 67.2° |
| N | CA | CB | HB2 | 61.7° | 53.0° |
| N | CA | CB | HB3 | 63.5° | 171.6° |
| HA | CA | N | H | 164.1° | 127.7° |
| HA | CA | N | H2 | 75.9° | 39.0° |
| HA | CA | CB | SG | 57.7° | 176.9° |
| HA | CA | CB | HB2 | 177.7° | 62.8° |
| HA | CA | CB | HB3 | 57.1° | 55.8° |
| SG | CB | HB2 | HB3 | 115.6° | 115.6° |
| CB | SG | C1J | C1K | 78.7° | 180.0° |
| CB | SG | C1J | H1J1 | 41.3° | 59.6° |
| CB | SG | C1J | H1J2 | 162.5° | 56.8° |
| HB2 | CB | SG | C1J | 174.7° | 60.0° |
| HB3 | CB | SG | C1J | 49.6° | 55.6° |
| SG | C1J | C1K | H1J1 | 120.0° | 119.3° |
| SG | C1J | C1K | H1J2 | 118.8° | 121.7° |
| SG | C1J | H1J1 | H1J2 | 118.9° | 116.9° |
| SG | C1J | C1K | C1N | 74.1° | 60.8° |
| SG | C1J | C1K | H1K1 | 45.9° | 62.7° |
| SG | C1J | C1K | H1K2 | 170.6° | 179.4° |
| C1K | C1J | H1J1 | H1J2 | 118.8° | 121.3° |
| C1J | C1K | C1N | H1K1 | 120.0° | 123.4° |
| C1J | C1K | C1N | H1K2 | 115.2° | 119.3° |
| C1J | C1K | H1K1 | H1K2 | 115.9° | 117.8° |
| C1J | C1K | C1N | C1Q | 126.4° | 153.3° |
| C1J | C1K | C1N | O1C | 61.6° | 27.7° |
| H1J1 | C1J | C1K | C1N | 165.9° | 180.0° |
| H1J1 | C1J | C1K | H1K1 | 74.1° | 56.5° |
| H1J1 | C1J | C1K | H1K2 | 50.6° | 61.4° |
| H1J2 | C1J | C1K | C1N | 44.7° | 60.9° |
| H1J2 | C1J | C1K | H1K1 | 164.7° | 175.6° |
| H1J2 | C1J | C1K | H1K2 | 70.6° | 57.7° |
| C1N | C1K | H1K1 | H1K2 | 116.0° | 116.5° |
| C1K | C1N | C1Q | O1C | 172.5° | 179.0° |
| C1K | C1N | C1Q | C1H | 41.8° | 30.1° |
| C1K | C1N | C1Q | C1I | 147.6° | 150.0° |
| H1K1 | C1K | C1N | C1Q | 113.6° | 29.9° |
| H1K1 | C1K | C1N | O1C | 58.4° | 151.0° |
| H1K2 | C1K | C1N | C1Q | 11.2° | 87.4° |
| H1K2 | C1K | C1N | O1C | 176.8° | 91.6° |
| C1N | C1Q | C1H | C1I | 171.1° | 180.0° |
| C1N | C1Q | C1I | C1P | 175.3° | 180.0° |
| C1N | C1Q | C1I | H1I | 4.7° | 0.0° |
| C1N | C1Q | C1H | C1G | 174.0° | 180.0° |
| C1N | C1Q | C1H | H1H | 6.0° | 0.0° |
| O1C | C1N | C1Q | C1H | 130.8° | 149.0° |
| O1C | C1N | C1Q | C1I | 39.9° | 31.0° |
| C1H | C1Q | C1I | C1P | 4.7° | 0.0° |
| C1H | C1Q | C1I | H1I | 175.2° | 180.0° |
| C1Q | C1H | C1G | H1H | 180.0° | 180.0° |
| C1Q | C1H | C1G | C1O | 1.3° | 0.0° |
| C1Q | C1H | C1G | H1G | 178.7° | 180.0° |
| C1Q | C1I | C1P | H1I | 180.0° | 180.0° |
| C1I | C1Q | C1H | C1G | 2.9° | 0.0° |
| C1I | C1Q | C1H | H1H | 177.1° | 180.0° |
| C1Q | C1I | C1P | C1O | 2.3° | 0.0° |
| C1Q | C1I | C1P | CL1E | 176.1° | 180.0° |
| C1I | C1P | C1O | C1G | 2.0° | 0.0° |
| C1I | C1P | C1O | CL1D | 177.4° | 180.0° |
| C1I | C1P | C1O | CL1E | 178.3° | 180.0° |
| H1I | C1I | C1P | C1O | 177.7° | 180.0° |
| H1I | C1I | C1P | CL1E | 3.9° | 0.0° |
| C1H | C1G | C1O | H1G | 180.0° | 180.0° |
| C1H | C1G | C1O | CL1D | 179.8° | 180.0° |
| C1H | C1G | C1O | C1P | 3.8° | 0.0° |
| H1H | C1H | C1G | C1O | 178.7° | 180.0° |
| H1H | C1H | C1G | H1G | 1.3° | 0.0° |
| C1G | C1O | CL1D | C1P | 175.8° | 180.0° |
| C1G | C1O | C1P | CL1E | 179.7° | 180.0° |
| H1G | C1G | C1O | CL1D | 0.2° | 0.0° |
| H1G | C1G | C1O | C1P | 176.2° | 180.0° |
| CL1D | C1O | C1P | CL1E | 4.3° | 0.0° |
