MKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C3 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | CA | sing | 1.51Å | 1.53Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | OG | sing | 1.35Å | 1.39Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | OG | sing | 1.45Å | 1.42Å | |
| N1 | CA | sing | 1.47Å | 1.47Å | |
| N | C1 | sing | 1.46Å | 1.47Å | |
| C3 | OXT | sing | 1.34Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | 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 | N | 119.2° | 120.1° |
| O | C | OG | 124.0° | 120.0° |
| O1 | C3 | CA | 119.8° | 120.0° |
| O1 | C3 | OXT | 122.2° | 120.0° |
| C3 | CA | CB | 111.4° | 109.5° |
| C3 | CA | N1 | 110.5° | 109.5° |
| CA | C3 | OXT | 118.1° | 120.1° |
| C3 | CA | H10 | 107.8° | 109.4° |
| N | C | OG | 115.6° | 119.9° |
| C | N | C2 | 121.4° | 119.9° |
| C | N | C1 | 120.7° | 120.0° |
| C | OG | CB | 120.2° | 117.0° |
| C2 | N | C1 | 117.9° | 120.0° |
| N | C2 | H4 | 109.5° | 109.5° |
| N | C2 | H5 | 109.5° | 109.4° |
| N | C2 | H6 | 109.5° | 109.4° |
| CA | CB | OG | 109.8° | 109.5° |
| CB | CA | N1 | 110.7° | 109.5° |
| CB | CA | H10 | 107.7° | 109.5° |
| CA | CB | H11 | 109.4° | 109.5° |
| CA | CB | H12 | 109.4° | 109.5° |
| OG | CB | H11 | 109.4° | 109.4° |
| OG | CB | H12 | 109.4° | 109.5° |
| CA | N1 | H7 | 109.5° | 111.0° |
| CA | N1 | H8 | 109.5° | 111.0° |
| N1 | CA | H10 | 108.6° | 109.5° |
| N | C1 | H1 | 109.5° | 109.5° |
| N | C1 | H2 | 109.5° | 109.5° |
| N | C1 | H3 | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H4 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | N1 | H8 | 109.4° | 111.0° |
| H11 | CB | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | OG | 167.7° | 180.0° |
| O | C | N | C2 | 3.4° | 0.0° |
| O | C | OG | CB | 2.5° | 0.1° |
| O | C | N | C1 | 176.3° | 180.0° |
| O1 | C3 | CA | OXT | 180.0° | 180.0° |
| O1 | C3 | CA | CB | 177.9° | 100.0° |
| O1 | C3 | CA | N1 | 58.5° | 20.0° |
| O1 | C3 | CA | H10 | 60.0° | 140.0° |
| O1 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA | CB | N1 | 123.4° | 120.0° |
| C3 | CA | CB | H10 | 118.1° | 119.9° |
| C3 | CA | CB | OG | 82.3° | 175.0° |
| C3 | CA | N1 | H10 | 118.1° | 120.0° |
| C3 | CA | N1 | H7 | 180.0° | 60.0° |
| C3 | CA | N1 | H8 | 60.0° | 176.0° |
| C3 | CA | CB | H11 | 157.7° | 65.1° |
| C3 | CA | CB | H12 | 37.7° | 55.0° |
| CA | C3 | OXT | HXT | 180.0° | 180.0° |
| C | N | C2 | C1 | 179.7° | 180.0° |
| N | C | OG | CB | 169.6° | 180.0° |
| C | N | C1 | H1 | 180.0° | 90.0° |
| C | N | C1 | H2 | 60.0° | 30.0° |
| C | N | C1 | H3 | 60.0° | 150.0° |
| C | N | C2 | H4 | 180.0° | 0.0° |
| C | N | C2 | H5 | 60.0° | 120.0° |
| C | N | C2 | H6 | 60.0° | 120.0° |
| OG | C | N | C2 | 171.1° | 180.0° |
| C | OG | CB | CA | 119.4° | 180.0° |
| OG | C | N | C1 | 8.5° | 0.0° |
| C | OG | CB | H11 | 120.5° | 60.0° |
| C | OG | CB | H12 | 0.6° | 59.9° |
| C2 | N | C1 | H1 | 0.3° | 90.0° |
| C2 | N | C1 | H2 | 120.3° | 150.0° |
| C2 | N | C1 | H3 | 119.7° | 30.0° |
| N | C2 | H4 | H5 | 120.0° | 120.0° |
| N | C2 | H4 | H6 | 120.0° | 120.0° |
| N | C2 | H5 | H6 | 120.0° | 119.9° |
| CA | CB | OG | H11 | 120.1° | 120.0° |
| CA | CB | OG | H12 | 120.1° | 120.0° |
| CB | CA | N1 | H10 | 118.0° | 120.0° |
| CB | CA | C3 | OXT | 2.1° | 80.0° |
| CB | CA | N1 | H7 | 56.1° | 60.0° |
| CB | CA | N1 | H8 | 176.1° | 63.9° |
| CA | CB | H11 | H12 | 119.9° | 120.0° |
| OG | CB | CA | N1 | 154.3° | 65.0° |
| OG | CB | CA | H10 | 35.7° | 55.1° |
| OG | CB | H11 | H12 | 119.8° | 120.0° |
| N1 | CA | C3 | OXT | 121.4° | 160.0° |
| CA | N1 | H7 | H8 | 120.0° | 123.9° |
| N1 | CA | CB | H11 | 34.2° | 55.0° |
| N1 | CA | CB | H12 | 85.7° | 175.0° |
| N | C1 | H1 | H2 | 120.0° | 120.0° |
| N | C1 | H1 | H3 | 120.0° | 120.0° |
| N | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N | C2 | H4 | 0.3° | 180.0° |
| C1 | N | C2 | H5 | 119.7° | 60.0° |
| C1 | N | C2 | H6 | 120.3° | 59.9° |
| OXT | C3 | CA | H10 | 120.0° | 40.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | H5 | H6 | 120.0° | 120.0° |
| H7 | N1 | CA | H10 | 61.9° | 180.0° |
| H8 | N1 | CA | H10 | 58.1° | 56.1° |
| H10 | CA | CB | H11 | 84.3° | 175.0° |
| H10 | CA | CB | H12 | 155.8° | 65.0° |
