2ML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| CA | CB1 | sing | 1.53Å | 1.54Å | |
| CA | CB2 | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CB1 | CG | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.12Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| CB2 | HB23 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.11Å | |
| CD1 | HD11 | sing | 1.09Å | 1.11Å | |
| CD1 | HD12 | sing | 1.09Å | 1.11Å | |
| CD1 | HD13 | sing | 1.09Å | 1.11Å | |
| CD2 | HD21 | sing | 1.09Å | 1.11Å | |
| CD2 | HD22 | sing | 1.09Å | 1.12Å | |
| CD2 | HD23 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H2 | 103.7° | 106.7° |
| CA | N | H | 114.4° | 106.6° |
| N | CA | CB1 | 103.7° | 109.5° |
| N | CA | CB2 | 109.0° | 109.4° |
| N | CA | C | 113.5° | 109.5° |
| H2 | N | H | 114.4° | 106.7° |
| CB1 | CA | CB2 | 108.3° | 109.5° |
| CB1 | CA | C | 111.7° | 109.5° |
| CA | CB1 | CG | 121.1° | 109.5° |
| CA | CB1 | HB11 | 108.1° | 109.5° |
| CA | CB1 | HB12 | 108.0° | 109.5° |
| CB2 | CA | C | 110.4° | 109.4° |
| CA | CB2 | HB21 | 109.1° | 109.4° |
| CA | CB2 | HB22 | 112.4° | 109.5° |
| CA | CB2 | HB23 | 112.4° | 109.4° |
| CA | C | O | 117.8° | 120.0° |
| CA | C | OXT | 119.0° | 120.0° |
| CG | CB1 | HB11 | 108.1° | 109.4° |
| CG | CB1 | HB12 | 108.1° | 109.5° |
| CB1 | CG | CD1 | 108.7° | 109.5° |
| CB1 | CG | CD2 | 111.2° | 109.5° |
| CB1 | CG | HG | 109.7° | 109.5° |
| HB11 | CB1 | HB12 | 101.8° | 109.4° |
| HB21 | CB2 | HB22 | 112.4° | 109.5° |
| HB21 | CB2 | HB23 | 112.4° | 109.5° |
| HB22 | CB2 | HB23 | 98.0° | 109.5° |
| CD1 | CG | CD2 | 112.0° | 109.4° |
| CD1 | CG | HG | 108.9° | 109.4° |
| CG | CD1 | HD11 | 108.7° | 109.5° |
| CG | CD1 | HD12 | 112.5° | 109.4° |
| CG | CD1 | HD13 | 112.5° | 109.4° |
| CD2 | CG | HG | 106.2° | 109.5° |
| CG | CD2 | HD21 | 111.3° | 109.5° |
| CG | CD2 | HD22 | 111.6° | 109.4° |
| CG | CD2 | HD23 | 111.6° | 109.5° |
| HD11 | CD1 | HD12 | 112.6° | 109.5° |
| HD11 | CD1 | HD13 | 112.5° | 109.5° |
| HD12 | CD1 | HD13 | 97.9° | 109.5° |
| HD21 | CD2 | HD22 | 111.5° | 109.5° |
| HD21 | CD2 | HD23 | 111.6° | 109.5° |
| HD22 | CD2 | HD23 | 98.8° | 109.5° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 119.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H2 | H | 125.3° | 113.7° |
| N | CA | CB1 | CB2 | 115.7° | 120.0° |
| N | CA | CB1 | C | 122.6° | 120.1° |
| N | CA | CB2 | C | 125.3° | 120.0° |
| N | CA | CB1 | CG | 77.9° | 56.1° |
| N | CA | CB1 | HB11 | 156.8° | 63.8° |
| N | CA | CB1 | HB12 | 47.4° | 176.2° |
| N | CA | CB2 | HB21 | 180.0° | 175.2° |
| N | CA | CB2 | HB22 | 54.7° | 64.8° |
| N | CA | CB2 | HB23 | 54.7° | 55.2° |
| N | CA | C | O | 154.0° | 150.0° |
| N | CA | C | OXT | 25.3° | 29.9° |
| H2 | N | CA | CB1 | 180.0° | 43.2° |
| H2 | N | CA | CB2 | 64.8° | 76.9° |
| H2 | N | CA | C | 58.7° | 163.2° |
| H | N | CA | CB1 | 54.7° | 70.6° |
| H | N | CA | CB2 | 60.4° | 169.4° |
| H | N | CA | C | 176.1° | 49.5° |
| CB1 | CA | CB2 | C | 122.5° | 120.0° |
| CA | CB1 | CG | HB11 | 125.3° | 120.0° |
| CA | CB1 | CG | HB12 | 125.2° | 120.1° |
| CA | CB1 | HB11 | HB12 | 113.6° | 120.0° |
| CB1 | CA | CB2 | HB21 | 67.9° | 55.2° |
| CB1 | CA | CB2 | HB22 | 166.8° | 175.2° |
| CB1 | CA | CB2 | HB23 | 57.4° | 64.8° |
| CA | CB1 | CG | CD1 | 164.6° | 156.7° |
| CA | CB1 | CG | CD2 | 71.6° | 83.3° |
| CA | CB1 | CG | HG | 45.6° | 36.7° |
| CB1 | CA | C | O | 89.2° | 29.9° |
| CB1 | CA | C | OXT | 91.5° | 149.9° |
| CB2 | CA | CB1 | CG | 166.4° | 176.1° |
| CB2 | CA | CB1 | HB11 | 41.1° | 56.1° |
| CB2 | CA | CB1 | HB12 | 68.3° | 63.9° |
| CA | CB2 | HB21 | HB22 | 125.3° | 120.1° |
| CA | CB2 | HB21 | HB23 | 125.3° | 119.9° |
| CA | CB2 | HB22 | HB23 | 118.3° | 120.0° |
| CB2 | CA | C | O | 31.3° | 90.1° |
| CB2 | CA | C | OXT | 148.0° | 90.0° |
| C | CA | CB1 | CG | 44.7° | 63.9° |
| C | CA | CB1 | HB11 | 80.6° | 176.1° |
| C | CA | CB1 | HB12 | 170.0° | 56.1° |
| C | CA | CB2 | HB21 | 54.7° | 64.9° |
| C | CA | CB2 | HB22 | 70.6° | 55.2° |
| C | CA | CB2 | HB23 | 180.0° | 175.2° |
| CA | C | O | OXT | 179.2° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CG | CB1 | HB11 | HB12 | 113.7° | 120.0° |
| CB1 | CG | CD1 | CD2 | 123.3° | 120.1° |
| CB1 | CG | CD1 | HG | 119.5° | 120.0° |
| CB1 | CG | CD2 | HG | 119.3° | 120.0° |
| CB1 | CG | CD1 | HD11 | 179.9° | 180.0° |
| CB1 | CG | CD1 | HD12 | 54.7° | 59.9° |
| CB1 | CG | CD1 | HD13 | 54.7° | 60.0° |
| CB1 | CG | CD2 | HD21 | 180.0° | 65.8° |
| CB1 | CG | CD2 | HD22 | 54.7° | 54.2° |
| CB1 | CG | CD2 | HD23 | 54.7° | 174.2° |
| HB11 | CB1 | CG | CD1 | 39.3° | 83.3° |
| HB11 | CB1 | CG | CD2 | 163.1° | 36.7° |
| HB11 | CB1 | CG | HG | 79.7° | 156.7° |
| HB12 | CB1 | CG | CD1 | 70.1° | 36.6° |
| HB12 | CB1 | CG | CD2 | 53.6° | 156.6° |
| HB12 | CB1 | CG | HG | 170.9° | 83.4° |
| HB21 | CB2 | HB22 | HB23 | 118.3° | 120.0° |
| CD1 | CG | CD2 | HG | 118.8° | 119.9° |
| CG | CD1 | HD11 | HD12 | 125.3° | 120.0° |
| CG | CD1 | HD11 | HD13 | 125.2° | 120.0° |
| CG | CD1 | HD12 | HD13 | 118.4° | 119.9° |
| CD1 | CG | CD2 | HD21 | 58.1° | 54.3° |
| CD1 | CG | CD2 | HD22 | 67.1° | 174.3° |
| CD1 | CG | CD2 | HD23 | 176.6° | 65.8° |
| CD2 | CG | CD1 | HD11 | 56.6° | 60.0° |
| CD2 | CG | CD1 | HD12 | 178.0° | 180.0° |
| CD2 | CG | CD1 | HD13 | 68.6° | 60.0° |
| CG | CD2 | HD21 | HD22 | 125.3° | 119.9° |
| CG | CD2 | HD21 | HD23 | 125.3° | 120.1° |
| CG | CD2 | HD22 | HD23 | 117.5° | 120.0° |
| HG | CG | CD1 | HD11 | 60.6° | 60.0° |
| HG | CG | CD1 | HD12 | 64.8° | 60.1° |
| HG | CG | CD1 | HD13 | 174.2° | 180.0° |
| HG | CG | CD2 | HD21 | 60.7° | 174.2° |
| HG | CG | CD2 | HD22 | 174.1° | 65.8° |
| HG | CG | CD2 | HD23 | 64.6° | 54.2° |
| HD11 | CD1 | HD12 | HD13 | 118.4° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 117.4° | 120.0° |
| O | C | OXT | HXT | 0.8° | 0.1° |
