M2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CG | SD | sing | 1.81Å | 1.84Å | |
| SD | OE | doub | 1.42Å | 1.62Å | |
| SD | CE | sing | 1.81Å | 1.81Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | 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 | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 112.3° | 109.5° |
| N | CA | C | 106.3° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 113.3° | 109.5° |
| CB | CA | C | 118.1° | 109.5° |
| CA | CB | CG1 | 108.7° | 109.5° |
| CA | CB | CG2 | 106.7° | 109.5° |
| CA | CB | CG | 114.4° | 109.5° |
| CB | CA | HA | 100.0° | 109.5° |
| CA | C | O | 122.0° | 120.0° |
| CA | C | OXT | 116.7° | 120.0° |
| C | CA | HA | 106.8° | 109.5° |
| CG1 | CB | CG2 | 106.5° | 109.5° |
| CG1 | CB | CG | 109.9° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.4° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.4° | 109.5° |
| CG2 | CB | CG | 110.3° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| CB | CG | SD | 119.3° | 109.5° |
| CB | CG | HG2 | 106.3° | 109.5° |
| CB | CG | HG3 | 104.0° | 109.5° |
| CG | SD | OE | 103.4° | 109.4° |
| CG | SD | CE | 104.4° | 103.0° |
| SD | CG | HG2 | 106.3° | 109.5° |
| SD | CG | HG3 | 104.0° | 109.5° |
| OE | SD | CE | 96.3° | 109.5° |
| SD | CE | HE1 | 109.5° | 109.5° |
| SD | CE | HE2 | 109.5° | 109.4° |
| SD | CE | HE3 | 109.5° | 109.5° |
| O | C | OXT | 121.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 117.6° | 109.4° |
| HE1 | CE | HE2 | 109.5° | 109.4° |
| HE1 | CE | HE3 | 109.4° | 109.6° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 124.3° | 120.0° |
| N | CA | CB | HA | 120.4° | 120.0° |
| N | CA | C | HA | 121.3° | 120.0° |
| N | CA | CB | CG1 | 171.3° | 60.0° |
| N | CA | CB | CG2 | 56.8° | 180.0° |
| N | CA | CB | CG | 65.5° | 60.0° |
| N | CA | C | O | 85.9° | 20.0° |
| N | CA | C | OXT | 95.9° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CB | CA | C | HA | 111.5° | 120.0° |
| CA | CB | CG1 | CG2 | 114.7° | 120.0° |
| CA | CB | CG1 | CG | 125.8° | 120.0° |
| CA | CB | CG2 | CG | 124.8° | 120.0° |
| CA | CB | CG | SD | 162.6° | 180.0° |
| CB | CA | C | O | 41.3° | 100.0° |
| CB | CA | C | OXT | 136.9° | 80.0° |
| CB | CA | N | H | 162.2° | 59.9° |
| CB | CA | N | H2 | 42.3° | 64.0° |
| CA | CB | CG1 | HG11 | 159.7° | 60.0° |
| CA | CB | CG1 | HG12 | 80.3° | 180.0° |
| CA | CB | CG1 | HG13 | 39.7° | 60.0° |
| CA | CB | CG2 | HG21 | 14.0° | 60.0° |
| CA | CB | CG2 | HG22 | 134.0° | 179.9° |
| CA | CB | CG2 | HG23 | 106.0° | 60.0° |
| CA | CB | CG | HG2 | 42.7° | 60.0° |
| CA | CB | CG | HG3 | 82.1° | 60.0° |
| C | CA | CB | CG1 | 64.4° | 60.0° |
| C | CA | CB | CG2 | 178.9° | 60.0° |
| C | CA | CB | CG | 58.8° | 180.0° |
| CA | C | O | OXT | 178.1° | 180.0° |
| C | CA | N | H | 31.7° | 60.1° |
| C | CA | N | H2 | 88.3° | 176.0° |
| CA | C | OXT | HXT | 178.2° | 180.0° |
| CG1 | CB | CG2 | CG | 119.2° | 120.0° |
| CG1 | CB | CG | SD | 74.8° | 60.0° |
| CG1 | CB | CA | HA | 50.9° | 180.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG21 | 130.0° | 180.0° |
| CG1 | CB | CG2 | HG22 | 110.0° | 60.0° |
| CG1 | CB | CG2 | HG23 | 10.0° | 60.0° |
| CG1 | CB | CG | HG2 | 165.2° | 180.0° |
| CG1 | CB | CG | HG3 | 40.4° | 60.1° |
| CG2 | CB | CG | SD | 42.3° | 60.0° |
| CG2 | CB | CA | HA | 63.6° | 60.0° |
| CG2 | CB | CG1 | HG11 | 45.0° | 60.0° |
| CG2 | CB | CG1 | HG12 | 165.0° | 60.0° |
| CG2 | CB | CG1 | HG13 | 75.0° | 180.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | CG | HG2 | 77.7° | 60.0° |
| CG2 | CB | CG | HG3 | 157.6° | 180.0° |
| CB | CG | SD | HG2 | 120.0° | 120.0° |
| CB | CG | SD | HG3 | 115.2° | 120.0° |
| CB | CG | SD | OE | 91.5° | 63.6° |
| CB | CG | SD | CE | 168.2° | 180.0° |
| CG | CB | CA | HA | 174.1° | 60.0° |
| CG | CB | CG1 | HG11 | 74.5° | 180.0° |
| CG | CB | CG1 | HG12 | 45.5° | 60.0° |
| CG | CB | CG1 | HG13 | 165.5° | 60.0° |
| CG | CB | CG2 | HG21 | 110.8° | 60.0° |
| CG | CB | CG2 | HG22 | 9.2° | 60.0° |
| CG | CB | CG2 | HG23 | 129.2° | 180.0° |
| CB | CG | HG2 | HG3 | 116.0° | 120.0° |
| CG | SD | OE | CE | 106.5° | 112.2° |
| SD | CG | HG2 | HG3 | 115.9° | 120.0° |
| CG | SD | CE | HE1 | 8.5° | 60.0° |
| CG | SD | CE | HE2 | 111.5° | 180.0° |
| CG | SD | CE | HE3 | 128.5° | 60.0° |
| OE | SD | CG | HG2 | 148.5° | 176.4° |
| OE | SD | CG | HG3 | 23.7° | 56.4° |
| OE | SD | CE | HE1 | 114.1° | 56.3° |
| OE | SD | CE | HE2 | 5.9° | 63.6° |
| OE | SD | CE | HE3 | 125.9° | 176.4° |
| CE | SD | CG | HG2 | 48.2° | 60.0° |
| CE | SD | CG | HG3 | 76.6° | 60.0° |
| SD | CE | HE1 | HE2 | 120.0° | 119.9° |
| SD | CE | HE1 | HE3 | 120.0° | 120.0° |
| SD | CE | HE2 | HE3 | 120.0° | 120.0° |
| O | C | CA | HA | 152.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 25.4° | 40.0° |
| H | N | CA | HA | 85.4° | 180.0° |
| H2 | N | CA | HA | 154.6° | 56.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.1° |
