MS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C | doub | 1.60Å | 1.68Å | |
| C | CA | sing | 1.51Å | 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 | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 301.86Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | CA | 120.6° | 120.0° |
| S | C | OXT | 46.5° | 120.0° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | N | 110.1° | 109.5° |
| C | CA | HA | 108.4° | 109.4° |
| CA | C | OXT | 97.2° | 120.0° |
| CA | CB | CG | 113.0° | 109.5° |
| CB | CA | N | 109.8° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB2 | 108.6° | 109.5° |
| CA | CB | HB3 | 108.6° | 109.5° |
| CB | CG | SD | 111.5° | 109.5° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.5° |
| CB | CG | HG2 | 109.0° | 109.5° |
| CB | CG | HG3 | 109.0° | 109.5° |
| N | CA | HA | 109.1° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| CG | SD | CE | 100.4° | 103.0° |
| SD | CG | HG2 | 109.0° | 109.4° |
| SD | CG | HG3 | 109.0° | 109.5° |
| SD | CE | HE1 | 109.5° | 109.4° |
| SD | CE | HE2 | 109.5° | 109.5° |
| SD | CE | HE3 | 109.5° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.4° |
| HE1 | CE | HE2 | 109.4° | 109.5° |
| HE1 | CE | HE3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | CA | OXT | 42.9° | 180.0° |
| S | C | CA | CB | 85.8° | 115.0° |
| S | C | CA | N | 36.0° | 5.0° |
| S | C | CA | HA | 155.2° | 125.0° |
| S | C | OXT | HXT | 90.0° | 0.0° |
| 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° |
| C | CA | CB | HB2 | 61.7° | 65.0° |
| C | CA | CB | HB3 | 57.2° | 55.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CA | CB | CG | HB2 | 120.5° | 120.0° |
| CA | CB | CG | HB3 | 120.5° | 120.0° |
| CB | CA | N | HA | 118.7° | 120.0° |
| CA | CB | CG | SD | 62.5° | 180.0° |
| CA | CB | HB2 | HB3 | 118.4° | 120.0° |
| CA | CB | CG | HG2 | 57.8° | 60.0° |
| CA | CB | CG | HG3 | 177.2° | 60.0° |
| CB | CA | N | H | 57.5° | 60.0° |
| CB | CA | N | H2 | 177.5° | 63.9° |
| CB | CA | C | OXT | 42.8° | 65.0° |
| CG | CB | CA | N | 60.4° | 65.0° |
| CB | CG | SD | HG2 | 120.3° | 120.0° |
| CB | CG | SD | HG3 | 120.3° | 120.0° |
| CB | CG | SD | CE | 96.3° | 180.0° |
| CG | CB | CA | HA | 58.8° | 55.0° |
| CG | CB | HB2 | HB3 | 118.4° | 120.0° |
| CB | CG | HG2 | HG3 | 119.1° | 120.0° |
| N | CA | CB | HB2 | 60.2° | 55.0° |
| N | CA | CB | HB3 | 179.1° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 79.0° | 174.9° |
| SD | CG | CB | HB2 | 176.9° | 60.0° |
| SD | CG | CB | HB3 | 58.0° | 60.0° |
| SD | CG | HG2 | HG3 | 119.1° | 120.0° |
| CG | SD | CE | HE1 | 180.0° | 60.0° |
| CG | SD | CE | HE2 | 60.0° | 60.0° |
| CG | SD | CE | HE3 | 60.0° | 180.0° |
| CE | SD | CG | HG2 | 24.0° | 60.0° |
| CE | SD | CG | HG3 | 143.4° | 59.9° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 119.9° |
| SD | CE | HE2 | HE3 | 120.0° | 119.9° |
| HA | CA | CB | HB2 | 179.3° | 175.0° |
| HA | CA | CB | HB3 | 61.8° | 65.0° |
| HA | CA | N | H | 61.2° | 180.0° |
| HA | CA | N | H2 | 58.8° | 56.1° |
| HA | CA | C | OXT | 161.8° | 55.0° |
| HB2 | CB | CG | HG2 | 62.7° | 180.0° |
| HB2 | CB | CG | HG3 | 56.6° | 60.0° |
| HB3 | CB | CG | HG2 | 178.3° | 60.0° |
| HB3 | CB | CG | HG3 | 62.3° | 180.0° |
| HE1 | CE | HE2 | HE3 | 119.9° | 120.1° |
