MS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C | sing | 1.81Å | 1.68Å | |
| C | CA | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CG | SD | sing | 1.81Å | 1.80Å | |
| SD | CE | sing | 1.81Å | 1.79Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CE | H8 | sing | 1.09Å | 1.10Å | |
| CE | H9 | sing | 1.09Å | 1.10Å | |
| CE | H10 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| S | H14 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | CA | 120.6° | 109.5° |
| S | C | H1 | 106.6° | 109.5° |
| S | C | H3 | 106.6° | 109.5° |
| C | S | H14 | 102.0° | 103.0° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | N | 110.1° | 109.4° |
| C | CA | HA | 108.4° | 109.5° |
| CA | C | H1 | 106.6° | 109.4° |
| CA | C | H3 | 106.6° | 109.5° |
| CA | CB | CG | 113.0° | 109.5° |
| CB | CA | N | 109.8° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | H4 | 108.6° | 109.5° |
| CA | CB | H5 | 108.6° | 109.5° |
| CB | CG | SD | 111.5° | 109.5° |
| CG | CB | H4 | 108.6° | 109.4° |
| CG | CB | H5 | 108.6° | 109.4° |
| CB | CG | H6 | 109.0° | 109.4° |
| CB | CG | H7 | 109.0° | 109.4° |
| N | CA | HA | 109.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CG | SD | CE | 100.4° | 103.0° |
| SD | CG | H6 | 109.0° | 109.5° |
| SD | CG | H7 | 109.0° | 109.5° |
| SD | CE | H8 | 109.5° | 109.5° |
| SD | CE | H9 | 109.5° | 109.5° |
| SD | CE | H10 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.5° | 109.4° |
| H6 | CG | H7 | 109.4° | 109.4° |
| H8 | CE | H9 | 109.4° | 109.5° |
| H8 | CE | H10 | 109.4° | 109.5° |
| H9 | CE | H10 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | CA | H1 | 121.5° | 120.0° |
| S | C | CA | H3 | 121.6° | 120.0° |
| S | C | CA | CB | 85.8° | 175.0° |
| S | C | CA | N | 36.0° | 65.0° |
| S | C | CA | HA | 155.2° | 55.0° |
| S | C | H1 | H3 | 115.0° | 120.0° |
| C | CA | CB | N | 121.9° | 120.0° |
| C | CA | CB | HA | 119.0° | 120.0° |
| C | CA | CB | CG | 177.7° | 175.0° |
| C | CA | N | HA | 118.8° | 120.0° |
| CA | C | H1 | H3 | 115.0° | 120.0° |
| C | CA | CB | H4 | 61.7° | 65.0° |
| C | CA | CB | H5 | 57.2° | 55.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | S | H14 | 180.0° | 180.0° |
| CA | CB | CG | H4 | 120.5° | 120.0° |
| CA | CB | CG | H5 | 120.5° | 120.0° |
| CB | CA | N | HA | 118.7° | 120.1° |
| CA | CB | CG | SD | 62.5° | 180.0° |
| CB | CA | C | H1 | 35.8° | 55.0° |
| CB | CA | C | H3 | 152.7° | 65.0° |
| CA | CB | H4 | H5 | 118.4° | 120.1° |
| CA | CB | CG | H6 | 57.8° | 60.0° |
| CA | CB | CG | H7 | 177.2° | 60.0° |
| CB | CA | N | H | 57.5° | 176.1° |
| CB | CA | N | H2 | 177.5° | 60.0° |
| CG | CB | CA | N | 60.4° | 65.0° |
| CB | CG | SD | H6 | 120.3° | 120.0° |
| CB | CG | SD | H7 | 120.3° | 120.0° |
| CB | CG | SD | CE | 96.3° | 180.0° |
| CG | CB | CA | HA | 58.8° | 55.0° |
| CG | CB | H4 | H5 | 118.4° | 119.9° |
| CB | CG | H6 | H7 | 119.1° | 119.9° |
| N | CA | C | H1 | 157.6° | 175.0° |
| N | CA | C | H3 | 85.5° | 55.0° |
| N | CA | CB | H4 | 60.2° | 55.0° |
| N | CA | CB | H5 | 179.1° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| SD | CG | CB | H4 | 176.9° | 60.0° |
| SD | CG | CB | H5 | 58.0° | 60.0° |
| SD | CG | H6 | H7 | 119.1° | 120.0° |
| CG | SD | CE | H8 | 180.0° | 60.0° |
| CG | SD | CE | H9 | 60.0° | 60.1° |
| CG | SD | CE | H10 | 60.0° | 180.0° |
| CE | SD | CG | H6 | 24.0° | 60.0° |
| CE | SD | CG | H7 | 143.4° | 60.0° |
| SD | CE | H8 | H9 | 120.0° | 120.0° |
| SD | CE | H8 | H10 | 120.0° | 120.0° |
| SD | CE | H9 | H10 | 120.0° | 120.0° |
| HA | CA | C | H1 | 83.2° | 65.0° |
| HA | CA | C | H3 | 33.7° | 175.0° |
| HA | CA | CB | H4 | 179.3° | 175.0° |
| HA | CA | CB | H5 | 61.8° | 65.0° |
| HA | CA | N | H | 61.2° | 56.0° |
| HA | CA | N | H2 | 58.8° | 179.9° |
| H1 | C | S | H14 | 58.4° | 60.0° |
| H3 | C | S | H14 | 58.5° | 60.0° |
| H4 | CB | CG | H6 | 62.7° | 180.0° |
| H4 | CB | CG | H7 | 56.6° | 60.1° |
| H5 | CB | CG | H6 | 178.3° | 60.1° |
| H5 | CB | CG | H7 | 62.3° | 180.0° |
| H8 | CE | H9 | H10 | 119.9° | 120.0° |
