MSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.27Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.68Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| SD | OE | doub | 1.42Å | 1.46Å | |
| SD | NE | doub | 1.49Å | 1.52Å | |
| SD | CE | sing | 1.81Å | 1.66Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 119.9° |
| OXT | C | O | 118.9° | 120.0° |
| OXT | C | CA | 121.0° | 120.0° |
| O | C | CA | 120.1° | 120.0° |
| C | CA | N | 112.4° | 109.5° |
| C | CA | CB | 117.0° | 109.4° |
| C | CA | HA | 101.7° | 109.4° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | HA | 110.3° | 109.5° |
| CA | N | H | 109.5° | 106.7° |
| CA | N | H2 | 109.5° | 106.7° |
| CB | CA | HA | 105.0° | 109.5° |
| CA | CB | CG | 110.3° | 109.5° |
| CA | CB | HB2 | 109.1° | 109.5° |
| CA | CB | HB3 | 109.2° | 109.5° |
| H | N | H2 | 109.4° | 106.7° |
| CG | CB | HB2 | 109.0° | 109.5° |
| CG | CB | HB3 | 109.2° | 109.5° |
| CB | CG | SD | 114.7° | 109.5° |
| CB | CG | HG2 | 106.6° | 109.4° |
| CB | CG | HG3 | 107.7° | 109.5° |
| HB2 | CB | HB3 | 110.1° | 109.5° |
| SD | CG | HG2 | 106.5° | 109.5° |
| SD | CG | HG3 | 107.8° | 109.5° |
| CG | SD | OE | 106.5° | 115.3° |
| CG | SD | NE | 107.5° | 106.8° |
| CG | SD | CE | 113.0° | 106.0° |
| HG2 | CG | HG3 | 113.7° | 109.5° |
| OE | SD | NE | 114.4° | 106.2° |
| OE | SD | CE | 108.2° | 115.3° |
| NE | SD | CE | 107.4° | 106.7° |
| SD | NE | HE | 112.2° | 120.0° |
| SD | CE | HE1 | 109.5° | 109.5° |
| SD | CE | HE2 | 109.5° | 109.5° |
| SD | CE | HE3 | 109.5° | 109.5° |
| HE1 | CE | HE2 | 109.5° | 109.4° |
| HE1 | CE | HE3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 178.7° | 180.0° |
| OXT | C | CA | N | 85.0° | 160.0° |
| OXT | C | CA | CB | 146.6° | 80.0° |
| OXT | C | CA | HA | 33.0° | 40.0° |
| HXT | OXT | C | O | 0.0° | 0.0° |
| HXT | OXT | C | CA | 178.7° | 180.0° |
| O | C | CA | N | 93.7° | 20.0° |
| O | C | CA | CB | 34.7° | 100.0° |
| O | C | CA | HA | 148.4° | 140.0° |
| C | CA | N | CB | 132.1° | 120.0° |
| C | CA | N | HA | 112.8° | 120.0° |
| C | CA | CB | HA | 111.9° | 120.0° |
| C | CA | N | H | 43.6° | 53.8° |
| C | CA | N | H2 | 163.5° | 60.0° |
| C | CA | CB | CG | 164.7° | 175.0° |
| C | CA | CB | HB2 | 75.6° | 55.0° |
| C | CA | CB | HB3 | 44.7° | 65.0° |
| N | CA | CB | HA | 118.5° | 120.0° |
| CA | N | H | H2 | 120.0° | 113.8° |
| N | CA | CB | CG | 35.1° | 65.0° |
| N | CA | CB | HB2 | 154.7° | 175.0° |
| N | CA | CB | HB3 | 84.9° | 55.0° |
| CB | CA | N | H | 175.6° | 173.8° |
| CB | CA | N | H2 | 64.4° | 60.0° |
| CA | CB | CG | HB2 | 119.7° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.8° | 120.0° |
| CA | CB | CG | SD | 167.2° | 180.0° |
| CA | CB | CG | HG2 | 49.6° | 60.0° |
| CA | CB | CG | HG3 | 72.8° | 60.0° |
| HA | CA | N | H | 69.2° | 66.2° |
| HA | CA | N | H2 | 50.7° | 180.0° |
| HA | CA | CB | CG | 83.4° | 55.0° |
| HA | CA | CB | HB2 | 36.3° | 65.0° |
| HA | CA | CB | HB3 | 156.6° | 175.0° |
| CG | CB | HB2 | HB3 | 119.8° | 120.0° |
| CB | CG | SD | HG2 | 117.6° | 120.0° |
| CB | CG | SD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 118.5° | 120.0° |
| CB | CG | SD | OE | 52.1° | 51.2° |
| CB | CG | SD | NE | 71.0° | 66.5° |
| CB | CG | SD | CE | 170.8° | 180.0° |
| HB2 | CB | CG | SD | 73.1° | 60.0° |
| HB2 | CB | CG | HG2 | 169.3° | 180.0° |
| HB2 | CB | CG | HG3 | 46.9° | 60.0° |
| HB3 | CB | CG | SD | 47.2° | 60.0° |
| HB3 | CB | CG | HG2 | 70.4° | 60.0° |
| HB3 | CB | CG | HG3 | 167.2° | 180.0° |
| SD | CG | HG2 | HG3 | 118.5° | 120.0° |
| CG | SD | OE | NE | 118.6° | 118.0° |
| CG | SD | OE | CE | 121.7° | 124.0° |
| CG | SD | NE | CE | 121.8° | 113.0° |
| CG | SD | NE | HE | 24.7° | 56.5° |
| CG | SD | CE | HE1 | 111.9° | 60.0° |
| CG | SD | CE | HE2 | 8.1° | 60.0° |
| CG | SD | CE | HE3 | 128.1° | 180.0° |
| HG2 | CG | SD | OE | 169.7° | 68.8° |
| HG2 | CG | SD | NE | 46.6° | 173.5° |
| HG2 | CG | SD | CE | 71.6° | 60.0° |
| HG3 | CG | SD | OE | 67.9° | 171.2° |
| HG3 | CG | SD | NE | 169.0° | 53.5° |
| HG3 | CG | SD | CE | 50.8° | 60.0° |
| OE | SD | NE | CE | 120.1° | 123.5° |
| OE | SD | NE | HE | 142.8° | 180.0° |
| OE | SD | CE | HE1 | 130.4° | 171.2° |
| OE | SD | CE | HE2 | 109.6° | 68.9° |
| OE | SD | CE | HE3 | 10.4° | 51.2° |
| NE | SD | CE | HE1 | 6.4° | 53.6° |
| NE | SD | CE | HE2 | 126.4° | 173.5° |
| NE | SD | CE | HE3 | 113.6° | 66.5° |
| CE | SD | NE | HE | 97.1° | 56.5° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 120.1° |
| SD | CE | HE2 | HE3 | 120.0° | 120.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.0° |
