SHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | SG | sing | 1.81Å | 1.79Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| SG | C1 | sing | 1.81Å | 1.81Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 99.0° | 106.8° |
| CA | N | H2 | 116.2° | 106.7° |
| N | CA | CB | 99.0° | 109.5° |
| N | CA | C | 105.6° | 109.5° |
| N | CA | HA | 122.2° | 109.4° |
| H | N | H2 | 116.2° | 106.7° |
| CB | CA | C | 119.6° | 109.6° |
| CB | CA | HA | 109.0° | 109.4° |
| CA | CB | SG | 100.3° | 109.6° |
| CA | CB | HB2 | 115.7° | 109.5° |
| CA | CB | HB3 | 115.7° | 109.4° |
| C | CA | HA | 102.7° | 109.4° |
| CA | C | OXT | 128.4° | 120.1° |
| CA | C | O | 118.2° | 120.0° |
| SG | CB | HB2 | 115.8° | 109.5° |
| SG | CB | HB3 | 115.7° | 109.4° |
| CB | SG | C1 | 107.8° | 100.0° |
| HB2 | CB | HB3 | 94.7° | 109.5° |
| SG | C1 | C2 | 108.3° | 109.5° |
| SG | C1 | H11 | 112.6° | 109.5° |
| SG | C1 | H12 | 112.7° | 109.5° |
| C2 | C1 | H11 | 112.6° | 109.5° |
| C2 | C1 | H12 | 112.7° | 109.4° |
| C1 | C2 | C3 | 114.0° | 109.5° |
| C1 | C2 | H21 | 110.5° | 109.5° |
| C1 | C2 | H22 | 110.6° | 109.4° |
| H11 | C1 | H12 | 97.8° | 109.5° |
| C3 | C2 | H21 | 110.5° | 109.5° |
| C3 | C2 | H22 | 110.6° | 109.5° |
| C2 | C3 | C4 | 117.7° | 109.5° |
| C2 | C3 | H31 | 109.2° | 109.5° |
| C2 | C3 | H32 | 109.2° | 109.4° |
| H21 | C2 | H22 | 99.7° | 109.4° |
| C4 | C3 | H31 | 109.2° | 109.5° |
| C4 | C3 | H32 | 109.2° | 109.5° |
| C3 | C4 | C5 | 114.2° | 109.5° |
| C3 | C4 | H41 | 110.4° | 109.5° |
| C3 | C4 | H42 | 110.5° | 109.5° |
| H31 | C3 | H32 | 100.9° | 109.5° |
| C5 | C4 | H41 | 110.5° | 109.5° |
| C5 | C4 | H42 | 110.4° | 109.4° |
| C4 | C5 | C6 | 114.7° | 109.5° |
| C4 | C5 | H51 | 110.3° | 109.5° |
| C4 | C5 | H52 | 110.3° | 109.4° |
| H41 | C4 | H42 | 99.9° | 109.4° |
| C6 | C5 | H51 | 110.3° | 109.5° |
| C6 | C5 | H52 | 110.3° | 109.5° |
| C5 | C6 | H61 | 114.7° | 109.5° |
| C5 | C6 | H62 | 110.3° | 109.5° |
| C5 | C6 | H63 | 110.3° | 109.5° |
| H51 | C5 | H52 | 99.9° | 109.5° |
| H61 | C6 | H62 | 110.3° | 109.4° |
| H61 | C6 | H63 | 110.3° | 109.4° |
| H62 | C6 | H63 | 100.0° | 109.6° |
| OXT | C | O | 113.4° | 120.0° |
| C | OXT | HXT | 128.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 113.8° | 120.1° |
| N | CA | CB | HA | 128.7° | 119.9° |
| N | CA | C | HA | 129.0° | 119.9° |
| N | CA | CB | SG | 158.3° | 59.9° |
| N | CA | CB | HB2 | 76.5° | 180.0° |
| N | CA | CB | HB3 | 33.0° | 60.0° |
| N | CA | C | OXT | 129.2° | 150.0° |
| N | CA | C | O | 51.0° | 30.1° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 55.8° | 173.8° |
| H | N | CA | HA | 60.7° | 66.2° |
| H2 | N | CA | CB | 54.8° | 60.1° |
| H2 | N | CA | C | 179.0° | 60.1° |
| H2 | N | CA | HA | 64.5° | 180.0° |
| CB | CA | C | HA | 120.7° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.1° |
| CA | CB | SG | HB3 | 125.2° | 119.9° |
| CA | CB | HB2 | HB3 | 121.5° | 120.0° |
| CA | CB | SG | C1 | 143.8° | 180.0° |
| CB | CA | C | OXT | 120.5° | 89.9° |
| CB | CA | C | O | 59.2° | 90.0° |
| C | CA | CB | SG | 44.5° | 180.0° |
| C | CA | CB | HB2 | 169.8° | 59.9° |
| C | CA | CB | HB3 | 80.8° | 60.1° |
| CA | C | OXT | O | 179.8° | 179.9° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| HA | CA | CB | SG | 73.1° | 60.0° |
| HA | CA | CB | HB2 | 52.2° | 60.1° |
| HA | CA | CB | HB3 | 161.7° | 179.9° |
| HA | CA | C | OXT | 0.2° | 30.1° |
| HA | CA | C | O | 180.0° | 150.0° |
| SG | CB | HB2 | HB3 | 121.6° | 119.9° |
| CB | SG | C1 | C2 | 152.5° | 180.0° |
| CB | SG | C1 | H11 | 27.3° | 59.9° |
| CB | SG | C1 | H12 | 82.2° | 60.1° |
| HB2 | CB | SG | C1 | 18.5° | 59.9° |
| HB3 | CB | SG | C1 | 91.0° | 60.0° |
| SG | C1 | C2 | H11 | 125.2° | 120.1° |
| SG | C1 | C2 | H12 | 125.3° | 120.0° |
| SG | C1 | H11 | H12 | 118.6° | 120.0° |
| SG | C1 | C2 | C3 | 68.3° | 180.0° |
| SG | C1 | C2 | H21 | 56.9° | 59.9° |
| SG | C1 | C2 | H22 | 166.4° | 60.0° |
| C2 | C1 | H11 | H12 | 118.6° | 119.9° |
| C1 | C2 | C3 | H21 | 125.2° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.4° | 119.9° |
| C1 | C2 | C3 | C4 | 168.3° | 180.0° |
| C1 | C2 | C3 | H31 | 66.4° | 60.0° |
| C1 | C2 | C3 | H32 | 43.1° | 60.0° |
| H11 | C1 | C2 | C3 | 166.4° | 59.9° |
| H11 | C1 | C2 | H21 | 68.3° | 180.0° |
| H11 | C1 | C2 | H22 | 41.2° | 60.0° |
| H12 | C1 | C2 | C3 | 56.9° | 60.0° |
| H12 | C1 | C2 | H21 | 177.8° | 60.1° |
| H12 | C1 | C2 | H22 | 68.3° | 180.0° |
| C3 | C2 | H21 | H22 | 116.4° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 115.0° | 119.9° |
| C2 | C3 | C4 | C5 | 90.7° | 180.0° |
| C2 | C3 | C4 | H41 | 34.6° | 59.9° |
| C2 | C3 | C4 | H42 | 144.1° | 60.0° |
| H21 | C2 | C3 | C4 | 43.1° | 59.9° |
| H21 | C2 | C3 | H31 | 168.3° | 180.0° |
| H21 | C2 | C3 | H32 | 82.2° | 60.0° |
| H22 | C2 | C3 | C4 | 66.4° | 60.1° |
| H22 | C2 | C3 | H31 | 58.9° | 60.0° |
| H22 | C2 | C3 | H32 | 168.3° | 180.0° |
| C4 | C3 | H31 | H32 | 115.0° | 120.0° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 116.3° | 120.0° |
| C3 | C4 | C5 | C6 | 78.7° | 180.0° |
| C3 | C4 | C5 | H51 | 46.5° | 60.0° |
| C3 | C4 | C5 | H52 | 156.0° | 60.0° |
| H31 | C3 | C4 | C5 | 144.1° | 60.0° |
| H31 | C3 | C4 | H41 | 90.7° | 180.0° |
| H31 | C3 | C4 | H42 | 18.9° | 60.0° |
| H32 | C3 | C4 | C5 | 34.6° | 60.0° |
| H32 | C3 | C4 | H41 | 159.8° | 60.0° |
| H32 | C3 | C4 | H42 | 90.6° | 180.0° |
| C5 | C4 | H41 | H42 | 116.3° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 116.2° | 120.0° |
| C4 | C5 | C6 | H61 | 180.0° | 180.0° |
| C4 | C5 | C6 | H62 | 54.8° | 60.1° |
| C4 | C5 | C6 | H63 | 54.8° | 60.0° |
| H41 | C4 | C5 | C6 | 156.0° | 60.0° |
| H41 | C4 | C5 | H51 | 78.7° | 180.0° |
| H41 | C4 | C5 | H52 | 30.8° | 60.0° |
| H42 | C4 | C5 | C6 | 46.5° | 60.0° |
| H42 | C4 | C5 | H51 | 171.8° | 60.0° |
| H42 | C4 | C5 | H52 | 78.8° | 180.0° |
| C6 | C5 | H51 | H52 | 116.1° | 120.0° |
| C5 | C6 | H61 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H63 | 125.2° | 120.0° |
| C5 | C6 | H62 | H63 | 116.2° | 120.0° |
| H51 | C5 | C6 | H61 | 54.7° | 60.0° |
| H51 | C5 | C6 | H62 | 179.9° | 59.9° |
| H51 | C5 | C6 | H63 | 70.5° | 180.0° |
| H52 | C5 | C6 | H61 | 54.7° | 60.0° |
| H52 | C5 | C6 | H62 | 70.5° | 180.0° |
| H52 | C5 | C6 | H63 | 179.9° | 59.9° |
| H61 | C6 | H62 | H63 | 116.1° | 120.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
