MKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB1 | CA | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CD | CE | sing | 1.53Å | 1.55Å | |
| CE | CF | sing | 1.53Å | 1.48Å | |
| CF | CH | sing | 1.53Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.61Å | |
| CB1 | H1 | sing | 1.09Å | 1.10Å | |
| CB1 | H4 | sing | 1.09Å | 1.10Å | |
| CB1 | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CG | H10 | sing | 1.09Å | 1.10Å | |
| CD | H11 | sing | 1.09Å | 1.10Å | |
| CD | H12 | sing | 1.09Å | 1.10Å | |
| CE | H13 | sing | 1.09Å | 1.10Å | |
| CE | H14 | sing | 1.09Å | 1.10Å | |
| CF | H15 | sing | 1.09Å | 1.10Å | |
| CF | H16 | sing | 1.09Å | 1.10Å | |
| CH | H17 | sing | 1.09Å | 1.10Å | |
| CH | H18 | sing | 1.09Å | 1.10Å | |
| CH | H19 | 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) |
| CB1 | CA | C | 110.0° | 109.4° |
| CB1 | CA | N | 112.2° | 109.5° |
| CB1 | CA | CB | 109.8° | 109.5° |
| CA | CB1 | H1 | 109.5° | 109.4° |
| CA | CB1 | H4 | 109.5° | 109.4° |
| CA | CB1 | H3 | 109.5° | 109.5° |
| O | C | CA | 121.8° | 120.0° |
| O | C | OXT | 121.3° | 120.0° |
| C | CA | N | 106.3° | 109.5° |
| C | CA | CB | 111.5° | 109.4° |
| CA | C | OXT | 112.9° | 120.0° |
| N | CA | CB | 106.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | CB | CG | 105.8° | 109.5° |
| CA | CB | H7 | 110.4° | 109.5° |
| CA | CB | H8 | 110.4° | 109.5° |
| CB | CG | CD | 113.0° | 109.5° |
| CG | CB | H7 | 110.4° | 109.5° |
| CG | CB | H8 | 110.4° | 109.4° |
| CB | CG | H9 | 108.6° | 109.5° |
| CB | CG | H10 | 108.6° | 109.5° |
| CG | CD | CE | 101.0° | 109.5° |
| CD | CG | H9 | 108.6° | 109.5° |
| CD | CG | H10 | 108.6° | 109.4° |
| CG | CD | H11 | 111.5° | 109.5° |
| CG | CD | H12 | 111.5° | 109.4° |
| CD | CE | CF | 111.5° | 109.5° |
| CE | CD | H11 | 111.5° | 109.5° |
| CE | CD | H12 | 111.6° | 109.5° |
| CD | CE | H13 | 109.0° | 109.5° |
| CD | CE | H14 | 109.0° | 109.4° |
| CE | CF | CH | 107.5° | 109.4° |
| CF | CE | H13 | 109.0° | 109.5° |
| CF | CE | H14 | 109.0° | 109.5° |
| CE | CF | H15 | 109.9° | 109.5° |
| CE | CF | H16 | 109.9° | 109.5° |
| CH | CF | H15 | 109.9° | 109.4° |
| CH | CF | H16 | 110.0° | 109.5° |
| CF | CH | H17 | 109.5° | 109.5° |
| CF | CH | H18 | 109.5° | 109.5° |
| CF | CH | H19 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | CB1 | H4 | 109.5° | 109.5° |
| H1 | CB1 | H3 | 109.4° | 109.5° |
| H4 | CB1 | H3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H7 | CB | H8 | 109.5° | 109.5° |
| H9 | CG | H10 | 109.4° | 109.5° |
| H11 | CD | H12 | 109.5° | 109.5° |
| H13 | CE | H14 | 109.4° | 109.5° |
| H15 | CF | H16 | 109.5° | 109.5° |
| H17 | CH | H18 | 109.5° | 109.5° |
| H17 | CH | H19 | 109.5° | 109.4° |
| H18 | CH | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB1 | CA | C | O | 27.7° | 95.0° |
| CB1 | CA | C | N | 121.7° | 120.0° |
| CB1 | CA | C | CB | 122.0° | 119.9° |
| CB1 | CA | N | CB | 120.4° | 120.0° |
| CB1 | CA | CB | CG | 164.6° | 65.0° |
| CB1 | CA | C | OXT | 130.1° | 84.8° |
| CA | CB1 | H1 | H4 | 120.0° | 119.9° |
| CA | CB1 | H1 | H3 | 120.0° | 120.0° |
| CA | CB1 | H4 | H3 | 120.0° | 120.0° |
| CB1 | CA | N | H | 180.0° | 56.0° |
| CB1 | CA | N | H2 | 60.0° | 180.0° |
| CB1 | CA | CB | H7 | 45.2° | 175.0° |
| CB1 | CA | CB | H8 | 75.9° | 55.0° |
| O | C | CA | OXT | 157.8° | 179.8° |
| O | C | CA | N | 149.4° | 145.0° |
| O | C | CA | CB | 94.3° | 25.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 119.3° | 120.0° |
| C | CA | CB | CG | 42.5° | 175.0° |
| C | CA | CB1 | H1 | 180.0° | 60.0° |
| C | CA | CB1 | H4 | 60.0° | 180.0° |
| C | CA | CB1 | H3 | 60.0° | 59.9° |
| C | CA | N | H | 59.7° | 63.9° |
| C | CA | N | H2 | 179.7° | 60.0° |
| C | CA | CB | H7 | 76.9° | 55.0° |
| C | CA | CB | H8 | 161.9° | 65.0° |
| CA | C | OXT | HXT | 157.9° | 179.7° |
| N | CA | CB | CG | 73.4° | 55.0° |
| N | CA | C | OXT | 8.4° | 35.2° |
| N | CA | CB1 | H1 | 61.8° | 60.0° |
| N | CA | CB1 | H4 | 178.1° | 60.0° |
| N | CA | CB1 | H3 | 58.1° | 180.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H7 | 167.2° | 65.0° |
| N | CA | CB | H8 | 46.0° | 175.0° |
| CA | CB | CG | H7 | 119.4° | 120.0° |
| CA | CB | CG | H8 | 119.4° | 120.0° |
| CA | CB | CG | CD | 161.5° | 180.0° |
| CB | CA | C | OXT | 107.8° | 155.3° |
| CB | CA | CB1 | H1 | 56.9° | 180.0° |
| CB | CA | CB1 | H4 | 63.1° | 60.0° |
| CB | CA | CB1 | H3 | 176.9° | 60.0° |
| CB | CA | N | H | 59.6° | 176.1° |
| CB | CA | N | H2 | 60.4° | 60.0° |
| CA | CB | H7 | H8 | 121.7° | 120.1° |
| CA | CB | CG | H9 | 40.9° | 60.0° |
| CA | CB | CG | H10 | 78.0° | 60.0° |
| CB | CG | CD | H9 | 120.5° | 120.0° |
| CB | CG | CD | H10 | 120.6° | 120.0° |
| CB | CG | CD | CE | 166.2° | NaN° |
| CG | CB | H7 | H8 | 121.7° | 119.9° |
| CB | CG | H9 | H10 | 118.4° | 120.0° |
| CB | CG | CD | H11 | 47.6° | 60.0° |
| CB | CG | CD | H12 | 75.2° | 60.0° |
| CG | CD | CE | H11 | 118.6° | 120.0° |
| CG | CD | CE | H12 | 118.6° | 120.0° |
| CG | CD | CE | CF | 144.1° | 180.0° |
| CD | CG | CB | H7 | 79.1° | 59.9° |
| CD | CG | CB | H8 | 42.1° | 60.0° |
| CD | CG | H9 | H10 | 118.4° | 120.0° |
| CG | CD | H11 | H12 | 123.9° | 120.0° |
| CG | CD | CE | H13 | 23.7° | 59.9° |
| CG | CD | CE | H14 | 95.6° | 60.0° |
| CD | CE | CF | H13 | 120.3° | 120.0° |
| CD | CE | CF | H14 | 120.3° | 120.0° |
| CD | CE | CF | CH | 158.2° | 180.0° |
| CE | CD | CG | H9 | 73.3° | 60.0° |
| CE | CD | CG | H10 | 45.6° | 60.0° |
| CE | CD | H11 | H12 | 124.0° | 120.0° |
| CD | CE | H13 | H14 | 119.1° | 119.9° |
| CD | CE | CF | H15 | 82.1° | 60.1° |
| CD | CE | CF | H16 | 38.5° | 60.0° |
| CE | CF | CH | H15 | 119.7° | 119.9° |
| CE | CF | CH | H16 | 119.7° | 120.0° |
| CF | CE | CD | H11 | 97.3° | 60.0° |
| CF | CE | CD | H12 | 25.5° | 60.0° |
| CF | CE | H13 | H14 | 119.1° | 120.1° |
| CE | CF | H15 | H16 | 120.9° | 120.1° |
| CE | CF | CH | H17 | 180.0° | 60.1° |
| CE | CF | CH | H18 | 60.0° | 60.0° |
| CE | CF | CH | H19 | 60.0° | 180.0° |
| CH | CF | CE | H13 | 37.9° | 60.0° |
| CH | CF | CE | H14 | 81.5° | 60.0° |
| CH | CF | H15 | H16 | 120.9° | 120.0° |
| CF | CH | H17 | H18 | 120.0° | 120.1° |
| CF | CH | H17 | H19 | 120.0° | 120.0° |
| CF | CH | H18 | H19 | 120.0° | 120.0° |
| H1 | CB1 | H4 | H3 | 120.0° | 120.1° |
| H7 | CB | CG | H9 | 160.3° | 180.0° |
| H7 | CB | CG | H10 | 41.4° | 60.0° |
| H8 | CB | CG | H9 | 78.5° | 60.0° |
| H8 | CB | CG | H10 | 162.6° | 180.0° |
| H9 | CG | CD | H11 | 168.1° | NaN° |
| H9 | CG | CD | H12 | 45.4° | 60.0° |
| H10 | CG | CD | H11 | 73.0° | 60.0° |
| H10 | CG | CD | H12 | 164.3° | 180.0° |
| H11 | CD | CE | H13 | 142.4° | 180.0° |
| H11 | CD | CE | H14 | 23.0° | 60.0° |
| H12 | CD | CE | H13 | 94.9° | 60.0° |
| H12 | CD | CE | H14 | 145.8° | 180.0° |
| H13 | CE | CF | H15 | 157.6° | 179.9° |
| H13 | CE | CF | H16 | 81.8° | 60.0° |
| H14 | CE | CF | H15 | 38.2° | 59.9° |
| H14 | CE | CF | H16 | 158.8° | NaN° |
| H15 | CF | CH | H17 | 60.3° | 180.0° |
| H15 | CF | CH | H18 | 179.7° | 59.9° |
| H15 | CF | CH | H19 | 59.7° | 60.1° |
| H16 | CF | CH | H17 | 60.3° | 60.0° |
| H16 | CF | CH | H18 | 59.7° | 180.0° |
| H16 | CF | CH | H19 | 179.7° | 60.0° |
| H17 | CH | H18 | H19 | 120.0° | 119.9° |
