SSP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | S2 | sing | 2.06Å | 28.64Å | |
| S1 | CG1 | sing | 1.82Å | 0.00Å | |
| S2 | CG2 | sing | 1.81Å | 1.81Å | |
| CA1 | CB1 | sing | 1.52Å | 0.00Å | |
| CA1 | HA11 | sing | 1.10Å | 0.00Å | |
| CA1 | HA12 | sing | 1.09Å | 0.00Å | |
| CA1 | HA13 | sing | 1.10Å | 0.00Å | |
| CB1 | CG1 | sing | 1.52Å | 0.00Å | |
| CB1 | HB11 | sing | 1.10Å | 0.00Å | |
| CB1 | HB12 | sing | 1.10Å | 0.00Å | |
| CG1 | HG11 | sing | 1.09Å | 0.00Å | |
| CG1 | HG12 | sing | 1.09Å | 0.00Å | |
| CA2 | CB2 | sing | 1.52Å | 1.53Å | |
| CA2 | HA21 | sing | 1.09Å | 1.10Å | |
| CA2 | HA22 | sing | 1.10Å | 1.10Å | |
| CA2 | HA23 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.52Å | 1.52Å | |
| CB2 | HB21 | sing | 1.10Å | 1.10Å | |
| CB2 | HB22 | sing | 1.10Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | S1 | CG1 | 90.0° | 101.5° |
| S1 | S2 | CG2 | 37.7° | 101.7° |
| S1 | CG1 | CB1 | 90.0° | 110.5° |
| S1 | CG1 | HG11 | 90.0° | 108.5° |
| S1 | CG1 | HG12 | 90.0° | 108.4° |
| S2 | CG2 | CB2 | 106.5° | 110.5° |
| S2 | CG2 | HG21 | 110.5° | 108.5° |
| S2 | CG2 | HG22 | 111.1° | 108.4° |
| CB1 | CA1 | HA11 | 90.0° | 111.0° |
| CB1 | CA1 | HA12 | 90.0° | 110.3° |
| CB1 | CA1 | HA13 | 90.0° | 111.0° |
| CA1 | CB1 | CG1 | 90.0° | 111.1° |
| CA1 | CB1 | HB11 | 90.0° | 108.7° |
| CA1 | CB1 | HB12 | 90.0° | 108.7° |
| HA11 | CA1 | HA12 | 90.0° | 108.0° |
| HA11 | CA1 | HA13 | 90.0° | 108.3° |
| HA12 | CA1 | HA13 | 90.0° | 108.1° |
| CG1 | CB1 | HB11 | 90.0° | 110.4° |
| CG1 | CB1 | HB12 | 90.0° | 110.4° |
| CB1 | CG1 | HG11 | 90.0° | 110.7° |
| CB1 | CG1 | HG12 | 90.0° | 110.6° |
| HB11 | CB1 | HB12 | 90.0° | 107.4° |
| HG11 | CG1 | HG12 | 90.0° | 108.0° |
| CB2 | CA2 | HA21 | 109.5° | 111.0° |
| CB2 | CA2 | HA22 | 109.5° | 110.2° |
| CB2 | CA2 | HA23 | 109.5° | 111.0° |
| CA2 | CB2 | CG2 | 106.9° | 111.1° |
| CA2 | CB2 | HB21 | 110.3° | 108.7° |
| CA2 | CB2 | HB22 | 110.9° | 108.8° |
| HA21 | CA2 | HA22 | 109.4° | 108.1° |
| HA21 | CA2 | HA23 | 109.4° | 108.4° |
| HA22 | CA2 | HA23 | 109.5° | 108.1° |
| CG2 | CB2 | HB21 | 110.4° | 110.4° |
| CG2 | CB2 | HB22 | 110.9° | 110.4° |
| CB2 | CG2 | HG21 | 110.5° | 110.7° |
| CB2 | CG2 | HG22 | 111.1° | 110.6° |
| HB21 | CB2 | HB22 | 107.5° | 107.4° |
| HG21 | CG2 | HG22 | 107.2° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | S1 | CG1 | CB1 | 90.0° | 180.0° |
| S2 | S1 | CG1 | HG11 | 90.0° | 58.5° |
| S2 | S1 | CG1 | HG12 | 90.0° | 58.6° |
| S1 | S2 | CG2 | CB2 | 72.2° | 180.0° |
| S1 | S2 | CG2 | HG21 | 47.9° | 58.5° |
| S1 | S2 | CG2 | HG22 | 166.7° | 58.6° |
| CG1 | S1 | S2 | CG2 | 90.0° | 90.1° |
| S1 | CG1 | CB1 | CA1 | 90.0° | 179.8° |
| S1 | CG1 | CB1 | HG11 | 90.0° | 120.2° |
| S1 | CG1 | CB1 | HG12 | 90.0° | 120.1° |
| S1 | CG1 | CB1 | HB11 | 90.0° | 59.5° |
| S1 | CG1 | CB1 | HB12 | 90.0° | 59.1° |
| S1 | CG1 | HG11 | HG12 | 90.0° | 117.3° |
| S2 | CG2 | CB2 | CA2 | 89.5° | 179.8° |
| S2 | CG2 | CB2 | HG21 | 120.0° | 120.2° |
| S2 | CG2 | CB2 | HG22 | 121.1° | 120.1° |
| S2 | CG2 | CB2 | HB21 | 150.5° | 59.5° |
| S2 | CG2 | CB2 | HB22 | 31.5° | 59.1° |
| S2 | CG2 | HG21 | HG22 | 121.2° | 117.3° |
| CB1 | CA1 | HA11 | HA12 | 90.0° | 121.0° |
| CB1 | CA1 | HA11 | HA13 | 90.0° | 122.1° |
| CB1 | CA1 | HA12 | HA13 | 90.0° | 121.6° |
| CA1 | CB1 | CG1 | HB11 | 90.0° | 120.7° |
| CA1 | CB1 | CG1 | HB12 | 90.0° | 120.7° |
| CA1 | CB1 | HB11 | HB12 | 90.0° | 117.5° |
| CA1 | CB1 | CG1 | HG11 | 90.0° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 90.0° | 59.7° |
| HA11 | CA1 | HA12 | HA13 | 90.0° | 117.0° |
| HA11 | CA1 | CB1 | CG1 | 90.0° | 60.2° |
| HA11 | CA1 | CB1 | HB11 | 90.0° | 61.5° |
| HA11 | CA1 | CB1 | HB12 | 90.0° | 178.1° |
| HA12 | CA1 | CB1 | CG1 | 90.0° | 179.9° |
| HA12 | CA1 | CB1 | HB11 | 90.0° | 58.2° |
| HA12 | CA1 | CB1 | HB12 | 90.0° | 58.4° |
| HA13 | CA1 | CB1 | CG1 | 90.0° | 60.3° |
| HA13 | CA1 | CB1 | HB11 | 90.0° | 178.0° |
| HA13 | CA1 | CB1 | HB12 | 90.0° | 61.4° |
| CG1 | CB1 | HB11 | HB12 | 90.0° | 120.4° |
| CB1 | CG1 | HG11 | HG12 | 90.0° | 121.2° |
| HB11 | CB1 | CG1 | HG11 | 90.0° | 60.7° |
| HB11 | CB1 | CG1 | HG12 | 90.0° | 179.6° |
| HB12 | CB1 | CG1 | HG11 | 90.0° | 179.3° |
| HB12 | CB1 | CG1 | HG12 | 90.0° | 61.0° |
| CB2 | CA2 | HA21 | HA22 | 120.0° | 121.0° |
| CB2 | CA2 | HA21 | HA23 | 120.0° | 122.1° |
| CB2 | CA2 | HA22 | HA23 | 120.0° | 121.4° |
| CA2 | CB2 | CG2 | HB21 | 120.0° | 120.6° |
| CA2 | CB2 | CG2 | HB22 | 121.0° | 120.7° |
| CA2 | CB2 | HB21 | HB22 | 121.0° | 117.5° |
| CA2 | CB2 | CG2 | HG21 | 150.5° | 60.0° |
| CA2 | CB2 | CG2 | HG22 | 31.7° | 59.7° |
| HA21 | CA2 | HA22 | HA23 | 119.9° | 117.1° |
| HA21 | CA2 | CB2 | CG2 | 48.8° | 60.2° |
| HA21 | CA2 | CB2 | HB21 | 71.2° | 61.4° |
| HA21 | CA2 | CB2 | HB22 | 169.8° | 178.1° |
| HA22 | CA2 | CB2 | CG2 | 71.2° | 179.9° |
| HA22 | CA2 | CB2 | HB21 | 168.8° | 58.3° |
| HA22 | CA2 | CB2 | HB22 | 49.9° | 58.4° |
| HA23 | CA2 | CB2 | CG2 | 168.8° | 60.4° |
| HA23 | CA2 | CB2 | HB21 | 48.8° | 178.0° |
| HA23 | CA2 | CB2 | HB22 | 70.2° | 61.3° |
| CG2 | CB2 | HB21 | HB22 | 121.1° | 120.4° |
| CB2 | CG2 | HG21 | HG22 | 121.2° | 121.3° |
| HB21 | CB2 | CG2 | HG21 | 30.5° | 60.7° |
| HB21 | CB2 | CG2 | HG22 | 88.4° | 179.6° |
| HB22 | CB2 | CG2 | HG21 | 88.5° | 179.3° |
| HB22 | CB2 | CG2 | HG22 | 152.7° | 61.0° |
