MCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.51Å | 1.51Å | |
| CA | CM | sing | 1.53Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CB | CG1 | doub | 1.38Å | 1.42Å | Aromatic |
| CB | CG2 | sing | 1.38Å | 1.41Å | Aromatic |
| CG1 | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CG1 | HG1 | sing | 1.08Å | 1.10Å | |
| CG2 | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CG2 | HG2 | sing | 1.08Å | 1.10Å | |
| CD1 | CE | doub | 1.40Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE | sing | 1.40Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE | CZ | sing | 1.48Å | 1.44Å | |
| CZ | OH2 | sing | 1.35Å | 1.25Å | |
| CZ | OH1 | doub | 1.21Å | 1.25Å | |
| OH2 | HH2 | sing | 0.97Å | 0.95Å | |
| OXT | HT | sing | 0.97Å | 0.95Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.9° | 106.7° |
| CA | N | H2 | 110.4° | 106.6° |
| N | CA | C | 110.4° | 109.4° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | CM | 110.3° | 109.4° |
| H | N | H2 | 111.8° | 106.7° |
| C | CA | CB | 110.0° | 109.5° |
| C | CA | CM | 105.4° | 109.5° |
| CA | C | O | 118.0° | 119.9° |
| CA | C | OXT | 117.9° | 120.0° |
| CB | CA | CM | 110.1° | 109.5° |
| CA | CB | CG1 | 120.7° | 119.8° |
| CA | CB | CG2 | 119.6° | 119.8° |
| CA | CM | HM1 | 111.9° | 109.4° |
| CA | CM | HM2 | 110.3° | 109.5° |
| CA | CM | HM3 | 111.9° | 109.5° |
| O | C | OXT | 124.1° | 120.0° |
| C | OXT | HT | 117.9° | 119.9° |
| CG1 | CB | CG2 | 119.6° | 120.4° |
| CB | CG1 | CD1 | 119.9° | 120.1° |
| CB | CG1 | HG1 | 120.4° | 120.0° |
| CB | CG2 | CD2 | 120.2° | 120.1° |
| CB | CG2 | HG2 | 120.3° | 120.0° |
| CD1 | CG1 | HG1 | 119.8° | 119.9° |
| CG1 | CD1 | CE | 119.8° | 119.8° |
| CG1 | CD1 | HD1 | 120.2° | 120.1° |
| CD2 | CG2 | HG2 | 119.6° | 119.9° |
| CG2 | CD2 | CE | 120.0° | 119.9° |
| CG2 | CD2 | HD2 | 120.1° | 120.1° |
| CE | CD1 | HD1 | 120.1° | 120.1° |
| CD1 | CE | CD2 | 120.6° | 119.7° |
| CD1 | CE | CZ | 119.9° | 120.1° |
| CE | CD2 | HD2 | 119.9° | 120.0° |
| CD2 | CE | CZ | 119.5° | 120.2° |
| CE | CZ | OH2 | 118.0° | 120.0° |
| CE | CZ | OH1 | 118.1° | 120.0° |
| OH2 | CZ | OH1 | 123.9° | 120.0° |
| CZ | OH2 | HH2 | 118.0° | 120.0° |
| HM1 | CM | HM2 | 111.9° | 109.5° |
| HM1 | CM | HM3 | 98.5° | 109.5° |
| HM2 | CM | HM3 | 111.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 124.5° | 113.7° |
| N | CA | C | CB | 122.2° | 119.9° |
| N | CA | C | CM | 119.1° | 119.9° |
| N | CA | CB | CM | 122.1° | 120.0° |
| N | CA | C | O | 150.8° | 150.0° |
| N | CA | C | OXT | 29.3° | 30.1° |
| N | CA | CB | CG1 | 113.6° | 30.0° |
| N | CA | CB | CG2 | 64.6° | 150.3° |
| N | CA | CM | HM1 | 54.7° | 179.9° |
| N | CA | CM | HM2 | 180.0° | 60.0° |
| N | CA | CM | HM3 | 54.8° | 60.1° |
| H | N | CA | C | 54.7° | 60.0° |
| H | N | CA | CB | 67.2° | 59.9° |
| H | N | CA | CM | 170.9° | 180.0° |
| H2 | N | CA | C | 180.0° | 173.8° |
| H2 | N | CA | CB | 58.1° | 53.8° |
| H2 | N | CA | CM | 63.9° | 66.2° |
| C | CA | CB | CM | 115.7° | 120.1° |
| CA | C | O | OXT | 179.9° | 179.9° |
| C | CA | CB | CG1 | 8.6° | 89.9° |
| C | CA | CB | CG2 | 173.2° | 89.8° |
| CA | C | OXT | HT | 180.0° | 180.0° |
| C | CA | CM | HM1 | 173.9° | 60.0° |
| C | CA | CM | HM2 | 60.8° | 59.9° |
| C | CA | CM | HM3 | 64.5° | 180.0° |
| CB | CA | C | O | 87.0° | 30.1° |
| CB | CA | C | OXT | 92.9° | 150.0° |
| CA | CB | CG1 | CG2 | 178.2° | 179.7° |
| CA | CB | CG1 | CD1 | 177.3° | 180.0° |
| CA | CB | CG1 | HG1 | 2.7° | 0.1° |
| CA | CB | CG2 | CD2 | 177.4° | 179.7° |
| CA | CB | CG2 | HG2 | 2.6° | 0.3° |
| CB | CA | CM | HM1 | 67.5° | 60.1° |
| CB | CA | CM | HM2 | 57.8° | 180.0° |
| CB | CA | CM | HM3 | 176.9° | 59.9° |
| CM | CA | C | O | 31.7° | 90.0° |
| CM | CA | C | OXT | 148.4° | 89.9° |
| CM | CA | CB | CG1 | 124.4° | 150.0° |
| CM | CA | CB | CG2 | 57.5° | 30.4° |
| CA | CM | HM1 | HM2 | 124.4° | 120.0° |
| CA | CM | HM1 | HM3 | 117.8° | 120.0° |
| CA | CM | HM2 | HM3 | 125.3° | 120.1° |
| O | C | OXT | HT | 0.1° | 0.0° |
| CB | CG1 | CD1 | HG1 | 180.0° | 179.9° |
| CG1 | CB | CG2 | CD2 | 0.8° | 0.6° |
| CG1 | CB | CG2 | HG2 | 179.2° | 180.0° |
| CB | CG1 | CD1 | CE | 0.0° | 0.1° |
| CB | CG1 | CD1 | HD1 | 180.0° | 180.0° |
| CG2 | CB | CG1 | CD1 | 0.8° | 0.4° |
| CG2 | CB | CG1 | HG1 | 179.2° | 179.8° |
| CB | CG2 | CD2 | HG2 | 180.0° | 179.4° |
| CB | CG2 | CD2 | CE | 0.1° | 0.6° |
| CB | CG2 | CD2 | HD2 | 179.9° | 179.7° |
| CG1 | CD1 | CE | HD1 | 180.0° | 180.0° |
| CG1 | CD1 | CE | CD2 | 0.8° | 0.1° |
| CG1 | CD1 | CE | CZ | 177.7° | 180.0° |
| HG1 | CG1 | CD1 | CE | 180.0° | 180.0° |
| HG1 | CG1 | CD1 | HD1 | 0.0° | 0.1° |
| CG2 | CD2 | CE | CD1 | 0.9° | 0.3° |
| CG2 | CD2 | CE | HD2 | 180.0° | 179.7° |
| CG2 | CD2 | CE | CZ | 177.7° | 179.8° |
| HG2 | CG2 | CD2 | CE | 180.0° | 180.0° |
| HG2 | CG2 | CD2 | HD2 | 0.1° | 0.3° |
| CD1 | CE | CD2 | CZ | 178.6° | 179.9° |
| CD1 | CE | CD2 | HD2 | 179.1° | 180.0° |
| CD1 | CE | CZ | OH2 | 123.1° | 180.0° |
| CD1 | CE | CZ | OH1 | 57.4° | 0.1° |
| HD1 | CD1 | CE | CD2 | 179.2° | 180.0° |
| HD1 | CD1 | CE | CZ | 2.3° | 0.1° |
| CD2 | CE | CZ | OH2 | 58.3° | 0.1° |
| CD2 | CE | CZ | OH1 | 121.2° | 180.0° |
| HD2 | CD2 | CE | CZ | 2.3° | 0.1° |
| CE | CZ | OH2 | OH1 | 179.4° | 179.9° |
| CE | CZ | OH2 | HH2 | 180.0° | 180.0° |
| OH1 | CZ | OH2 | HH2 | 0.6° | 0.1° |
| HM1 | CM | HM2 | HM3 | 109.5° | 120.0° |
