MT2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| 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 | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.82Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| SD | CE | sing | 1.81Å | 1.82Å | |
| SD | C15 | sing | 1.81Å | 1.83Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | 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) |
| O | C | OXT | 126.2° | 120.0° |
| O | C | CA | 116.3° | 120.0° |
| OXT | C | CA | 117.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| N | CA | CB | 109.7° | 109.4° |
| N | CA | HA | 109.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 108.4° | 109.4° |
| CA | CB | CG | 111.0° | 109.5° |
| CA | CB | HB1 | 109.0° | 109.5° |
| CA | CB | HB2 | 108.6° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CG | CB | HB1 | 109.0° | 109.4° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CB | CG | SD | 109.1° | 109.5° |
| CB | CG | HG1 | 109.6° | 109.4° |
| CB | CG | HG2 | 109.7° | 109.5° |
| HB1 | CB | HB2 | 110.7° | 109.5° |
| SD | CG | HG1 | 109.6° | 109.5° |
| SD | CG | HG2 | 109.7° | 109.5° |
| CG | SD | CE | 109.4° | 103.0° |
| CG | SD | C15 | 109.8° | 103.0° |
| HG1 | CG | HG2 | 109.2° | 109.5° |
| CE | SD | C15 | 109.7° | 103.0° |
| SD | CE | HE1 | 109.5° | 109.5° |
| SD | CE | HE2 | 109.5° | 109.4° |
| SD | CE | HE3 | 109.5° | 109.5° |
| SD | C15 | C14 | 113.3° | 109.4° |
| SD | C15 | H15 | 108.2° | 109.5° |
| SD | C15 | H15A | 107.3° | 109.5° |
| HE1 | CE | HE2 | 109.5° | 109.5° |
| HE1 | CE | HE3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C15 | C14 | H14A | 109.5° | 109.5° |
| C15 | C14 | H14B | 109.5° | 109.4° |
| C14 | C15 | H15 | 108.2° | 109.4° |
| C14 | C15 | H15A | 107.3° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.6° | 179.7° |
| O | C | CA | N | 147.4° | 20.0° |
| O | C | CA | CB | 91.2° | 100.0° |
| O | C | CA | HA | 27.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | N | 32.3° | 159.7° |
| OXT | C | CA | CB | 89.1° | 80.3° |
| OXT | C | CA | HA | 152.0° | 39.7° |
| C | CA | N | CB | 122.2° | 120.0° |
| C | CA | N | HA | 119.0° | 120.1° |
| C | CA | CB | HA | 118.9° | 120.0° |
| C | CA | N | H | 132.2° | 64.0° |
| C | CA | N | H2 | 12.2° | 60.0° |
| C | CA | CB | CG | 64.4° | 175.0° |
| C | CA | CB | HB1 | 55.5° | 65.0° |
| C | CA | CB | HB2 | 176.2° | 55.0° |
| CA | C | OXT | HXT | 179.6° | 179.7° |
| N | CA | CB | HA | 119.7° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | CG | 57.0° | 65.0° |
| N | CA | CB | HB1 | 176.9° | 55.0° |
| N | CA | CB | HB2 | 62.4° | 175.0° |
| CB | CA | N | H | 105.7° | 176.0° |
| CB | CA | N | H2 | 134.3° | 60.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 119.4° | 120.0° |
| CA | CB | HB1 | HB2 | 119.4° | 120.0° |
| CA | CB | CG | SD | 175.4° | 180.0° |
| CA | CB | CG | HG1 | 55.4° | 60.0° |
| CA | CB | CG | HG2 | 64.5° | 60.0° |
| HA | CA | N | H | 13.2° | 56.1° |
| HA | CA | N | H2 | 106.8° | 180.0° |
| HA | CA | CB | CG | 176.6° | 55.0° |
| HA | CA | CB | HB1 | 63.4° | 175.0° |
| HA | CA | CB | HB2 | 57.3° | 65.0° |
| CG | CB | HB1 | HB2 | 119.4° | 120.0° |
| CB | CG | SD | HG1 | 120.0° | 120.0° |
| CB | CG | SD | HG2 | 120.1° | 120.1° |
| CB | CG | HG1 | HG2 | 120.2° | 120.0° |
| CB | CG | SD | CE | 169.9° | 73.2° |
| CB | CG | SD | C15 | 69.7° | 180.0° |
| HB1 | CB | CG | SD | 64.6° | 60.0° |
| HB1 | CB | CG | HG1 | 175.4° | 180.0° |
| HB1 | CB | CG | HG2 | 55.5° | 60.0° |
| HB2 | CB | CG | SD | 56.0° | 59.9° |
| HB2 | CB | CG | HG1 | 64.0° | 60.0° |
| HB2 | CB | CG | HG2 | 176.2° | 180.0° |
| SD | CG | HG1 | HG2 | 120.2° | 120.0° |
| CG | SD | CE | C15 | 120.6° | 106.8° |
| CG | SD | CE | HE1 | 68.2° | 60.0° |
| CG | SD | CE | HE2 | 51.8° | 180.0° |
| CG | SD | CE | HE3 | 171.8° | 60.0° |
| CG | SD | C15 | C14 | 64.2° | 180.0° |
| CG | SD | C15 | H15 | 55.8° | 60.1° |
| CG | SD | C15 | H15A | 177.5° | 60.0° |
| HG1 | CG | SD | CE | 70.1° | 166.9° |
| HG1 | CG | SD | C15 | 50.3° | 60.0° |
| HG2 | CG | SD | CE | 49.7° | 46.9° |
| HG2 | CG | SD | C15 | 170.2° | 60.0° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 120.0° |
| SD | CE | HE2 | HE3 | 120.0° | 120.0° |
| CE | SD | C15 | C14 | 175.5° | 73.2° |
| CE | SD | C15 | H15 | 64.5° | 166.9° |
| CE | SD | C15 | H15A | 57.2° | 46.8° |
| C15 | SD | CE | HE1 | 52.4° | 166.9° |
| C15 | SD | CE | HE2 | 172.4° | 73.2° |
| C15 | SD | CE | HE3 | 67.6° | 46.8° |
| SD | C15 | C14 | H15 | 120.0° | 120.0° |
| SD | C15 | C14 | H15A | 118.3° | 120.0° |
| SD | C15 | C14 | H14 | 50.5° | 60.0° |
| SD | C15 | C14 | H14A | 69.5° | 60.0° |
| SD | C15 | C14 | H14B | 170.5° | 180.0° |
| SD | C15 | H15 | H15A | 118.4° | 120.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.0° |
| C15 | C14 | H14 | H14A | 120.0° | 120.0° |
| C15 | C14 | H14 | H14B | 120.0° | 120.0° |
| C15 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 118.4° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 170.5° | 180.0° |
| H14 | C14 | C15 | H15A | 67.8° | 59.9° |
| H14A | C14 | C15 | H15 | 50.5° | 60.0° |
| H14A | C14 | C15 | H15A | 172.2° | 179.9° |
| H14B | C14 | C15 | H15 | 69.5° | 60.0° |
| H14B | C14 | C15 | H15A | 52.2° | 60.0° |
