MLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.54Å | 1.52Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| CG | HG | sing | 1.10Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.10Å | 1.10Å | |
| CD2 | HD23 | sing | 1.10Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.10Å | 1.10Å | |
| CD1 | HD13 | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.44Å | |
| C | OXT | sing | 1.37Å | 1.43Å | |
| OXT | C10 | sing | 1.43Å | 1.43Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 119.1° |
| CA | N | H2 | 109.5° | 119.1° |
| N | CA | CB | 108.4° | 112.6° |
| N | CA | C | 110.1° | 106.4° |
| N | CA | HA | 110.9° | 106.6° |
| H | N | H2 | 109.5° | 120.5° |
| CB | CA | C | 112.5° | 110.0° |
| CB | CA | HA | 108.4° | 112.2° |
| CA | CB | CG | 110.9° | 114.7° |
| CA | CB | HB2 | 109.0° | 109.1° |
| CA | CB | HB3 | 108.7° | 108.9° |
| C | CA | HA | 106.6° | 108.8° |
| CA | C | O | 110.9° | 125.0° |
| CA | C | OXT | 108.6° | 109.2° |
| CG | CB | HB2 | 109.0° | 109.2° |
| CG | CB | HB3 | 108.6° | 108.7° |
| CB | CG | CD2 | 111.6° | 109.8° |
| CB | CG | CD1 | 112.2° | 112.4° |
| CB | CG | HG | 105.7° | 109.1° |
| HB2 | CB | HB3 | 110.6° | 105.9° |
| CD2 | CG | CD1 | 108.5° | 109.7° |
| CD2 | CG | HG | 109.6° | 107.5° |
| CG | CD2 | HD21 | 109.5° | 110.9° |
| CG | CD2 | HD22 | 109.5° | 110.9° |
| CG | CD2 | HD23 | 109.5° | 111.3° |
| CD1 | CG | HG | 109.0° | 108.2° |
| CG | CD1 | HD11 | 109.5° | 111.4° |
| CG | CD1 | HD12 | 109.5° | 111.2° |
| CG | CD1 | HD13 | 109.5° | 110.8° |
| HD21 | CD2 | HD22 | 109.4° | 107.7° |
| HD21 | CD2 | HD23 | 109.5° | 108.0° |
| HD22 | CD2 | HD23 | 109.5° | 108.0° |
| HD11 | CD1 | HD12 | 109.5° | 108.2° |
| HD11 | CD1 | HD13 | 109.4° | 107.1° |
| HD12 | CD1 | HD13 | 109.5° | 107.9° |
| O | C | OXT | 111.0° | 125.7° |
| C | OXT | C10 | 114.4° | 115.5° |
| OXT | C10 | H101 | 109.5° | 109.5° |
| OXT | C10 | H102 | 109.4° | 109.6° |
| OXT | C10 | H103 | 109.5° | 108.9° |
| H101 | C10 | H102 | 109.5° | 110.1° |
| H101 | C10 | H103 | 109.5° | 109.3° |
| H102 | C10 | H103 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 166.5° |
| N | CA | CB | C | 122.0° | 118.5° |
| N | CA | CB | HA | 120.4° | 120.2° |
| N | CA | C | HA | 120.3° | 114.5° |
| N | CA | CB | CG | 88.2° | 178.6° |
| N | CA | CB | HB2 | 31.8° | 58.5° |
| N | CA | CB | HB3 | 152.4° | 56.6° |
| N | CA | C | O | 123.7° | 114.5° |
| N | CA | C | OXT | 114.0° | 63.3° |
| H | N | CA | CB | 51.7° | 49.9° |
| H | N | CA | C | 175.1° | 170.5° |
| H | N | CA | HA | 67.2° | 73.5° |
| H2 | N | CA | CB | 171.7° | 116.8° |
| H2 | N | CA | C | 64.9° | 3.8° |
| H2 | N | CA | HA | 52.8° | 119.8° |
| CB | CA | C | HA | 118.7° | 123.3° |
| CA | CB | CG | HB2 | 120.0° | 122.8° |
| CA | CB | CG | HB3 | 119.4° | 122.2° |
| CA | CB | HB2 | HB3 | 119.4° | 117.0° |
| CA | CB | CG | CD2 | 142.8° | 57.2° |
| CA | CB | CG | CD1 | 95.1° | 179.5° |
| CA | CB | CG | HG | 23.6° | 60.4° |
| CB | CA | C | O | 2.7° | 123.3° |
| CB | CA | C | OXT | 125.0° | 58.9° |
| C | CA | CB | CG | 149.8° | 62.9° |
| C | CA | CB | HB2 | 90.2° | 60.0° |
| C | CA | CB | HB3 | 30.5° | 175.1° |
| CA | C | O | OXT | 120.9° | 177.4° |
| CA | C | OXT | C10 | 137.1° | 177.7° |
| HA | CA | CB | CG | 32.2° | 58.4° |
| HA | CA | CB | HB2 | 152.2° | 178.7° |
| HA | CA | CB | HB3 | 87.2° | 63.6° |
| HA | CA | C | O | 115.9° | 0.0° |
| HA | CA | C | OXT | 6.4° | 177.8° |
| CG | CB | HB2 | HB3 | 119.4° | 116.9° |
| CB | CG | CD2 | CD1 | 124.2° | 123.9° |
| CB | CG | CD2 | HG | 116.8° | 118.6° |
| CB | CG | CD1 | HG | 116.8° | 120.6° |
| CB | CG | CD2 | HD21 | 20.4° | 58.3° |
| CB | CG | CD2 | HD22 | 140.4° | 177.9° |
| CB | CG | CD2 | HD23 | 99.6° | 61.9° |
| CB | CG | CD1 | HD11 | 138.5° | 65.2° |
| CB | CG | CD1 | HD12 | 101.5° | 55.7° |
| CB | CG | CD1 | HD13 | 18.5° | 175.7° |
| HB2 | CB | CG | CD2 | 97.2° | 179.9° |
| HB2 | CB | CG | CD1 | 24.9° | 57.7° |
| HB2 | CB | CG | HG | 143.6° | 62.4° |
| HB3 | CB | CG | CD2 | 23.4° | 65.0° |
| HB3 | CB | CG | CD1 | 145.5° | 57.4° |
| HB3 | CB | CG | HG | 95.8° | 177.4° |
| CD2 | CG | CD1 | HG | 119.4° | 117.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 121.4° |
| CG | CD2 | HD21 | HD23 | 120.0° | 122.1° |
| CG | CD2 | HD22 | HD23 | 120.0° | 122.1° |
| CD2 | CG | CD1 | HD11 | 14.6° | 172.4° |
| CD2 | CG | CD1 | HD12 | 134.7° | 66.7° |
| CD2 | CG | CD1 | HD13 | 105.3° | 53.3° |
| CD1 | CG | CD2 | HD21 | 144.6° | 177.7° |
| CD1 | CG | CD2 | HD22 | 95.4° | 58.2° |
| CD1 | CG | CD2 | HD23 | 24.6° | 62.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 122.6° |
| CG | CD1 | HD11 | HD13 | 120.0° | 121.3° |
| CG | CD1 | HD12 | HD13 | 120.0° | 121.7° |
| HG | CG | CD2 | HD21 | 96.4° | 60.3° |
| HG | CG | CD2 | HD22 | 23.6° | 59.3° |
| HG | CG | CD2 | HD23 | 143.6° | 179.5° |
| HG | CG | CD1 | HD11 | 104.7° | 55.4° |
| HG | CG | CD1 | HD12 | 15.3° | 176.3° |
| HG | CG | CD1 | HD13 | 135.3° | 63.7° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 116.4° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 115.6° |
| O | C | OXT | C10 | 14.9° | 0.0° |
| C | OXT | C10 | H101 | 101.3° | 83.9° |
| C | OXT | C10 | H102 | 138.7° | 155.2° |
| C | OXT | C10 | H103 | 18.7° | 35.5° |
| OXT | C10 | H101 | H102 | 120.0° | 120.5° |
| OXT | C10 | H101 | H103 | 120.0° | 119.3° |
| OXT | C10 | H102 | H103 | 120.0° | 119.4° |
| H101 | C10 | H102 | H103 | 120.0° | 120.1° |
