SME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 0.98Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.08Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.08Å | |
| CB | HB3 | sing | 1.09Å | 1.08Å | |
| CG | S | sing | 1.81Å | 1.80Å | |
| CG | HG2 | sing | 1.09Å | 1.08Å | |
| CG | HG3 | sing | 1.09Å | 1.08Å | |
| S | OE | doub | 1.42Å | 1.48Å | |
| S | CE | sing | 1.81Å | 1.80Å | |
| CE | HE1 | sing | 1.09Å | 1.08Å | |
| CE | HE2 | sing | 1.09Å | 1.08Å | |
| CE | HE3 | sing | 1.09Å | 1.08Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 119.2° | 106.7° |
| CA | N | H2 | 112.5° | 106.6° |
| N | CA | CB | 108.7° | 109.5° |
| N | CA | C | 108.6° | 109.4° |
| N | CA | HA | 107.6° | 109.4° |
| H | N | H2 | 125.3° | 106.7° |
| CB | CA | C | 111.2° | 109.5° |
| CB | CA | HA | 112.6° | 109.5° |
| CA | CB | CG | 109.7° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CA | CB | HB3 | 110.0° | 109.5° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | O | 121.9° | 120.1° |
| CA | C | OXT | 113.9° | 120.0° |
| CG | CB | HB2 | 109.7° | 109.4° |
| CG | CB | HB3 | 108.9° | 109.5° |
| CB | CG | S | 108.9° | 109.5° |
| CB | CG | HG2 | 110.3° | 109.5° |
| CB | CG | HG3 | 110.3° | 109.5° |
| HB2 | CB | HB3 | 108.1° | 109.5° |
| S | CG | HG2 | 109.0° | 109.5° |
| S | CG | HG3 | 109.0° | 109.5° |
| CG | S | OE | 108.1° | 109.5° |
| CG | S | CE | 97.8° | 100.0° |
| HG2 | CG | HG3 | 109.2° | 109.4° |
| OE | S | CE | 107.9° | 109.5° |
| S | CE | HE1 | 109.5° | 109.4° |
| S | CE | HE2 | 109.4° | 109.4° |
| S | CE | HE3 | 109.5° | 109.4° |
| HE1 | CE | HE2 | 109.4° | 109.5° |
| HE1 | CE | HE3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.4° | 109.5° |
| O | C | OXT | 124.2° | 119.9° |
| C | OXT | HXT | 113.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 158.8° | 113.7° |
| N | CA | CB | C | 119.5° | 120.0° |
| N | CA | CB | HA | 119.1° | 119.9° |
| N | CA | C | HA | 116.5° | 119.9° |
| N | CA | CB | CG | 149.3° | 60.0° |
| N | CA | CB | HB2 | 89.7° | 179.9° |
| N | CA | CB | HB3 | 29.5° | 60.1° |
| N | CA | C | O | 147.4° | 30.1° |
| N | CA | C | OXT | 32.7° | 150.0° |
| H | N | CA | CB | 106.7° | 53.7° |
| H | N | CA | C | 14.4° | 173.8° |
| H | N | CA | HA | 131.2° | 66.3° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | C | 175.8° | 60.1° |
| H2 | N | CA | HA | 67.4° | 180.0° |
| CB | CA | C | HA | 124.0° | 120.1° |
| CA | CB | CG | HB2 | 121.5° | 120.0° |
| CA | CB | CG | HB3 | 120.4° | 120.1° |
| CA | CB | HB2 | HB3 | 120.4° | 120.0° |
| CA | CB | CG | S | 176.3° | 180.0° |
| CA | CB | CG | HG2 | 56.7° | 60.0° |
| CA | CB | CG | HG3 | 64.1° | 59.9° |
| CB | CA | C | O | 27.9° | 89.9° |
| CB | CA | C | OXT | 152.2° | 90.0° |
| C | CA | CB | CG | 91.2° | 180.0° |
| C | CA | CB | HB2 | 29.8° | 60.1° |
| C | CA | CB | HB3 | 149.0° | 59.9° |
| CA | C | O | OXT | 179.9° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 30.2° | 59.9° |
| HA | CA | CB | HB2 | 151.2° | 60.0° |
| HA | CA | CB | HB3 | 89.6° | 180.0° |
| HA | CA | C | O | 96.1° | 150.0° |
| HA | CA | C | OXT | 83.8° | 30.1° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | S | HG2 | 120.5° | 120.0° |
| CB | CG | S | HG3 | 120.4° | 120.0° |
| CB | CG | HG2 | HG3 | 121.4° | 120.0° |
| CB | CG | S | OE | 61.4° | 65.0° |
| CB | CG | S | CE | 173.2° | 180.0° |
| HB2 | CB | CG | S | 62.1° | 60.0° |
| HB2 | CB | CG | HG2 | 178.2° | 180.0° |
| HB2 | CB | CG | HG3 | 57.5° | 60.0° |
| HB3 | CB | CG | S | 55.9° | 60.0° |
| HB3 | CB | CG | HG2 | 63.7° | 60.0° |
| HB3 | CB | CG | HG3 | 175.5° | 180.0° |
| S | CG | HG2 | HG3 | 119.0° | 120.0° |
| CG | S | OE | CE | 104.8° | 108.7° |
| CG | S | CE | HE1 | 57.7° | 180.0° |
| CG | S | CE | HE2 | 177.7° | 60.0° |
| CG | S | CE | HE3 | 62.4° | 60.0° |
| HG2 | CG | S | OE | 59.0° | 55.0° |
| HG2 | CG | S | CE | 52.7° | 60.0° |
| HG3 | CG | S | OE | 178.2° | 174.9° |
| HG3 | CG | S | CE | 66.4° | 60.0° |
| OE | S | CE | HE1 | 169.7° | 65.1° |
| OE | S | CE | HE2 | 70.4° | 174.9° |
| OE | S | CE | HE3 | 49.5° | 54.9° |
| S | CE | HE1 | HE2 | 120.0° | 120.0° |
| S | CE | HE1 | HE3 | 120.1° | 119.9° |
| S | CE | HE2 | HE3 | 120.0° | 120.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.1° |
| O | C | OXT | HXT | 0.2° | 0.0° |
