HCM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.81Å | 1.79Å | |
| S2 | SD | sing | 2.05Å | 2.02Å | |
| SD | CG | sing | 1.81Å | 1.82Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S2 | SD | 104.2° | 103.0° |
| S2 | C1 | H11 | 109.5° | 109.5° |
| S2 | C1 | H12 | 109.5° | 109.5° |
| S2 | C1 | H13 | 109.5° | 109.5° |
| S2 | SD | CG | 107.2° | 103.0° |
| SD | CG | CB | 109.3° | 109.4° |
| SD | CG | HG1 | 109.5° | 109.4° |
| SD | CG | HG2 | 109.5° | 109.5° |
| CG | CB | CA | 115.8° | 109.5° |
| CB | CG | HG1 | 109.5° | 109.5° |
| CB | CG | HG2 | 109.5° | 109.5° |
| CG | CB | HB2 | 107.9° | 109.5° |
| CG | CB | HB1 | 107.9° | 109.5° |
| CB | CA | N | 111.2° | 109.4° |
| CB | CA | C | 117.3° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.4° |
| CA | CB | HB1 | 107.9° | 109.5° |
| CB | CA | HA | 103.9° | 109.5° |
| O | C | CA | 121.3° | 120.0° |
| O | C | OXT | 125.8° | 120.0° |
| N | CA | C | 114.1° | 109.4° |
| N | CA | HA | 104.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | C | OXT | 112.9° | 120.0° |
| C | CA | HA | 104.0° | 109.5° |
| C | OXT | HXT | 109.5° | 116.9° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| HG1 | CG | HG2 | 109.4° | 109.5° |
| HB2 | CB | HB1 | 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) |
| C1 | S2 | SD | CG | 82.0° | 85.0° |
| S2 | C1 | H11 | H12 | 120.0° | 120.0° |
| S2 | C1 | H11 | H13 | 120.0° | 120.0° |
| S2 | C1 | H12 | H13 | 120.0° | 120.0° |
| S2 | SD | CG | CB | 35.5° | 70.0° |
| SD | S2 | C1 | H11 | 180.0° | 180.0° |
| SD | S2 | C1 | H12 | 60.0° | 60.0° |
| SD | S2 | C1 | H13 | 60.0° | 60.0° |
| S2 | SD | CG | HG1 | 84.5° | 170.0° |
| S2 | SD | CG | HG2 | 155.4° | 50.0° |
| SD | CG | CB | HG1 | 120.0° | 120.0° |
| SD | CG | CB | HG2 | 120.0° | 120.0° |
| SD | CG | CB | CA | 123.4° | 180.0° |
| SD | CG | HG1 | HG2 | 120.1° | 120.0° |
| SD | CG | CB | HB2 | 2.5° | 60.1° |
| SD | CG | CB | HB1 | 115.7° | 60.0° |
| CG | CB | CA | HB2 | 120.9° | 120.0° |
| CG | CB | CA | HB1 | 120.9° | 120.1° |
| CG | CB | CA | N | 146.4° | 65.1° |
| CG | CB | CA | C | 12.5° | 175.0° |
| CB | CG | HG1 | HG2 | 120.1° | 120.1° |
| CG | CB | HB2 | HB1 | 117.2° | 120.1° |
| CG | CB | CA | HA | 101.5° | 55.0° |
| CB | CA | C | O | 35.2° | 100.0° |
| CB | CA | N | C | 135.4° | 120.0° |
| CB | CA | N | HA | 111.6° | 120.0° |
| CB | CA | C | HA | 114.0° | 120.0° |
| CB | CA | C | OXT | 147.3° | 80.0° |
| CA | CB | CG | HG1 | 116.6° | 60.1° |
| CA | CB | CG | HG2 | 3.4° | 60.0° |
| CA | CB | HB2 | HB1 | 117.1° | 120.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| O | C | CA | N | 97.4° | 20.0° |
| O | C | CA | OXT | 177.5° | 180.0° |
| O | C | CA | HA | 149.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N | CA | C | HA | 113.4° | 120.0° |
| N | CA | C | OXT | 80.2° | 160.0° |
| N | CA | CB | HB2 | 25.5° | 175.0° |
| N | CA | CB | HB1 | 92.6° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| C | CA | CB | HB2 | 108.4° | 55.0° |
| C | CA | CB | HB1 | 133.5° | 65.0° |
| CA | C | OXT | HXT | 177.4° | 180.0° |
| C | CA | N | H | 44.6° | 64.0° |
| C | CA | N | H2 | 75.4° | 60.0° |
| OXT | C | CA | HA | 33.2° | 40.0° |
| H11 | C1 | H12 | H13 | 119.9° | 120.0° |
| HG1 | CG | CB | HB2 | 122.5° | 180.0° |
| HG1 | CG | CB | HB1 | 4.3° | 60.0° |
| HG2 | CG | CB | HB2 | 117.5° | 59.9° |
| HG2 | CG | CB | HB1 | 124.3° | 180.0° |
| HB2 | CB | CA | HA | 137.6° | 65.0° |
| HB1 | CB | CA | HA | 19.4° | 175.0° |
| HA | CA | N | H | 68.4° | 56.0° |
| HA | CA | N | H2 | 171.6° | 180.0° |
