MFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.48Å | 1.49Å | |
| N1 | H | sing | 0.99Å | 1.02Å | |
| N1 | H2 | sing | 0.99Å | 1.02Å | |
| CA1 | CB1 | sing | 1.53Å | 1.59Å | |
| CA1 | C1 | sing | 1.49Å | 1.36Å | |
| CA1 | HA1 | sing | 1.10Å | 1.11Å | |
| CB1 | CG1 | sing | 1.52Å | 1.51Å | |
| CB1 | OG1 | sing | 1.43Å | 1.43Å | |
| CB1 | HB1 | sing | 1.10Å | 1.11Å | |
| CG1 | HG11 | sing | 1.10Å | 1.11Å | |
| CG1 | HG12 | sing | 1.10Å | 1.12Å | |
| CG1 | HG13 | sing | 1.09Å | 1.11Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| C1 | N2 | doub | 1.30Å | 1.40Å | |
| C1 | N3 | sing | 1.35Å | 1.36Å | |
| N2 | CA2 | sing | 1.37Å | 1.39Å | |
| N3 | C2 | sing | 1.37Å | 1.40Å | |
| N3 | CA3 | sing | 1.45Å | 1.49Å | |
| C2 | O2 | doub | 1.22Å | 1.15Å | |
| C2 | CA2 | sing | 1.48Å | 1.44Å | |
| CA2 | CB2 | doub | 1.33Å | 1.43Å | |
| CA3 | C3 | sing | 1.50Å | 1.38Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | doub | 1.22Å | 1.35Å | |
| C3 | OXT | sing | 1.36Å | 52.92Å | |
| CB2 | CG2 | sing | 1.44Å | 1.46Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CG2 | CD1 | doub | 1.40Å | 1.44Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.52Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.47Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD2 | CE2 | doub | 1.40Å | 1.45Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.51Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CE2 | F | sing | 1.34Å | 1.39Å | |
| CE2 | CZ | sing | 1.39Å | 1.41Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.28Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | H | 108.1° | 117.2° |
| CA1 | N1 | H2 | 112.7° | 117.2° |
| N1 | CA1 | CB1 | 108.1° | 111.4° |
| N1 | CA1 | C1 | 102.9° | 105.3° |
| N1 | CA1 | HA1 | 116.8° | 109.0° |
| H | N1 | H2 | 112.7° | 124.0° |
| CB1 | CA1 | C1 | 115.5° | 111.9° |
| CB1 | CA1 | HA1 | 104.5° | 111.0° |
| CA1 | CB1 | CG1 | 112.8° | 112.2° |
| CA1 | CB1 | OG1 | 108.3° | 110.0° |
| CA1 | CB1 | HB1 | 107.6° | 109.2° |
| C1 | CA1 | HA1 | 109.6° | 108.0° |
| CA1 | C1 | N2 | 124.4° | 123.1° |
| CA1 | C1 | N3 | 128.4° | 121.2° |
| CG1 | CB1 | OG1 | 108.3° | 108.9° |
| CG1 | CB1 | HB1 | 107.6° | 109.1° |
| CB1 | CG1 | HG11 | 112.9° | 110.3° |
| CB1 | CG1 | HG12 | 111.0° | 111.4° |
| CB1 | CG1 | HG13 | 111.0° | 111.3° |
| OG1 | CB1 | HB1 | 112.2° | 107.2° |
| CB1 | OG1 | HG1 | 108.3° | 106.5° |
| HG11 | CG1 | HG12 | 110.9° | 106.4° |
| HG11 | CG1 | HG13 | 111.0° | 108.4° |
| HG12 | CG1 | HG13 | 99.3° | 108.9° |
| N2 | C1 | N3 | 107.2° | 115.7° |
| C1 | N2 | CA2 | 108.2° | 104.1° |
| C1 | N3 | C2 | 111.8° | 107.9° |
| C1 | N3 | CA3 | 121.7° | 127.3° |
| N2 | CA2 | C2 | 108.5° | 110.0° |
| N2 | CA2 | CB2 | 126.1° | 126.8° |
| C2 | N3 | CA3 | 126.5° | 124.8° |
| N3 | C2 | O2 | 128.1° | 130.9° |
| N3 | C2 | CA2 | 104.3° | 102.3° |
| N3 | CA3 | C3 | 122.9° | 108.6° |
| N3 | CA3 | HA31 | 107.5° | 109.0° |
| N3 | CA3 | HA32 | 107.4° | 109.1° |
| O2 | C2 | CA2 | 127.6° | 126.8° |
| C2 | CA2 | CB2 | 125.4° | 123.2° |
| CA2 | CB2 | CG2 | 127.7° | 124.7° |
| CA2 | CB2 | HB2 | 115.0° | 117.6° |
| C3 | CA3 | HA31 | 107.4° | 109.6° |
| C3 | CA3 | HA32 | 107.4° | 109.9° |
| CA3 | C3 | O3 | 130.2° | 126.5° |
| CA3 | C3 | OXT | 98.4° | 109.9° |
| HA31 | CA3 | HA32 | 102.3° | 110.6° |
| O3 | C3 | OXT | 84.6° | 123.7° |
| C3 | OXT | HXT | 98.3° | 111.9° |
| CG2 | CB2 | HB2 | 117.4° | 117.7° |
| CB2 | CG2 | CD1 | 123.5° | 120.7° |
| CB2 | CG2 | CD2 | 118.0° | 120.7° |
| CD1 | CG2 | CD2 | 118.5° | 118.6° |
| CG2 | CD1 | CE1 | 119.5° | 120.7° |
| CG2 | CD1 | HD1 | 119.2° | 120.2° |
| CG2 | CD2 | CE2 | 122.1° | 120.6° |
| CG2 | CD2 | HD2 | 121.4° | 120.2° |
| CE1 | CD1 | HD1 | 121.3° | 119.2° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| CD1 | CE1 | HE1 | 118.6° | 119.6° |
| CE2 | CD2 | HD2 | 116.6° | 119.1° |
| CD2 | CE2 | F | 119.7° | 119.7° |
| CD2 | CE2 | CZ | 119.1° | 120.0° |
| CZ | CE1 | HE1 | 121.3° | 120.3° |
| CE1 | CZ | CE2 | 120.7° | 120.0° |
| CE1 | CZ | OH | 119.8° | 120.0° |
| F | CE2 | CZ | 121.2° | 120.3° |
| CE2 | CZ | OH | 119.5° | 120.1° |
| CZ | OH | HOH | 119.8° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | H | H2 | 125.2° | 165.5° |
| N1 | CA1 | CB1 | C1 | 114.6° | 117.6° |
| N1 | CA1 | CB1 | HA1 | 125.0° | 121.6° |
| N1 | CA1 | C1 | HA1 | 124.9° | 116.4° |
| N1 | CA1 | CB1 | CG1 | 66.5° | 178.7° |
| N1 | CA1 | CB1 | OG1 | 53.5° | 59.9° |
| N1 | CA1 | CB1 | HB1 | 175.0° | 57.6° |
| N1 | CA1 | C1 | N2 | 95.9° | 93.6° |
| N1 | CA1 | C1 | N3 | 82.5° | 86.5° |
| H | N1 | CA1 | CB1 | 180.0° | 55.9° |
| H | N1 | CA1 | C1 | 57.4° | 177.5° |
| H | N1 | CA1 | HA1 | 62.6° | 66.8° |
| H2 | N1 | CA1 | CB1 | 54.7° | 110.6° |
| H2 | N1 | CA1 | C1 | 177.3° | 11.0° |
| H2 | N1 | CA1 | HA1 | 62.6° | 126.6° |
| CB1 | CA1 | C1 | HA1 | 117.6° | 122.5° |
| CA1 | CB1 | CG1 | OG1 | 120.0° | 122.1° |
| CA1 | CB1 | CG1 | HB1 | 118.6° | 121.2° |
| CA1 | CB1 | OG1 | HB1 | 118.7° | 118.7° |
| CA1 | CB1 | CG1 | HG11 | 180.0° | 64.5° |
| CA1 | CB1 | CG1 | HG12 | 54.7° | 53.4° |
| CA1 | CB1 | CG1 | HG13 | 54.7° | 175.2° |
| CA1 | CB1 | OG1 | HG1 | 180.0° | 51.0° |
| CB1 | CA1 | C1 | N2 | 21.6° | 27.6° |
| CB1 | CA1 | C1 | N3 | 160.0° | 152.3° |
| C1 | CA1 | CB1 | CG1 | 178.9° | 61.1° |
| C1 | CA1 | CB1 | OG1 | 61.1° | 177.5° |
| C1 | CA1 | CB1 | HB1 | 60.4° | 60.0° |
| CA1 | C1 | N2 | N3 | 178.7° | 179.9° |
| CA1 | C1 | N2 | CA2 | 178.8° | 180.0° |
| CA1 | C1 | N3 | C2 | 180.0° | 180.0° |
| CA1 | C1 | N3 | CA3 | 1.3° | 0.0° |
| HA1 | CA1 | CB1 | CG1 | 58.5° | 59.7° |
| HA1 | CA1 | CB1 | OG1 | 178.5° | 61.8° |
| HA1 | CA1 | CB1 | HB1 | 60.0° | 179.2° |
| HA1 | CA1 | C1 | N2 | 139.2° | 150.0° |
| HA1 | CA1 | C1 | N3 | 42.3° | 29.8° |
| CG1 | CB1 | OG1 | HB1 | 118.6° | 117.9° |
| CB1 | CG1 | HG11 | HG12 | 125.3° | 120.9° |
| CB1 | CG1 | HG11 | HG13 | 125.3° | 122.1° |
| CB1 | CG1 | HG12 | HG13 | 116.9° | 123.1° |
| CG1 | CB1 | OG1 | HG1 | 57.2° | 72.4° |
| OG1 | CB1 | CG1 | HG11 | 60.0° | 173.4° |
| OG1 | CB1 | CG1 | HG12 | 174.7° | 68.7° |
| OG1 | CB1 | CG1 | HG13 | 65.2° | 53.0° |
| HB1 | CB1 | CG1 | HG11 | 61.4° | 56.7° |
| HB1 | CB1 | CG1 | HG12 | 63.8° | 174.6° |
| HB1 | CB1 | CG1 | HG13 | 173.3° | 63.7° |
| HB1 | CB1 | OG1 | HG1 | 61.4° | 169.7° |
| HG11 | CG1 | HG12 | HG13 | 116.8° | 116.6° |
| N2 | C1 | N3 | C2 | 1.3° | 0.1° |
| N2 | C1 | N3 | CA3 | 177.3° | 179.9° |
| C1 | N2 | CA2 | C2 | 1.2° | 0.0° |
| C1 | N2 | CA2 | CB2 | 176.9° | 179.9° |
| N3 | C1 | N2 | CA2 | 0.1° | 0.1° |
| C1 | N3 | C2 | CA3 | 178.5° | 180.0° |
| C1 | N3 | C2 | O2 | 179.4° | 179.9° |
| C1 | N3 | C2 | CA2 | 2.0° | 0.1° |
| C1 | N3 | CA3 | C3 | 101.4° | 89.4° |
| C1 | N3 | CA3 | HA31 | 133.3° | 30.0° |
| C1 | N3 | CA3 | HA32 | 23.8° | 150.8° |
| N2 | CA2 | C2 | N3 | 1.9° | 0.0° |
| N2 | CA2 | C2 | O2 | 179.5° | 179.9° |
| N2 | CA2 | C2 | CB2 | 178.0° | 180.0° |
| N2 | CA2 | CB2 | CG2 | 0.3° | 1.6° |
| N2 | CA2 | CB2 | HB2 | 179.7° | 179.8° |
| N3 | C2 | O2 | CA2 | 178.3° | 179.9° |
| N3 | C2 | CA2 | CB2 | 176.2° | 180.0° |
| C2 | N3 | CA3 | C3 | 80.2° | 90.6° |
| C2 | N3 | CA3 | HA31 | 45.1° | 150.0° |
| C2 | N3 | CA3 | HA32 | 154.6° | 29.2° |
| CA3 | N3 | C2 | O2 | 2.0° | 0.1° |
| CA3 | N3 | C2 | CA2 | 176.6° | 179.9° |
| N3 | CA3 | C3 | HA31 | 125.3° | 119.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 119.3° |
| N3 | CA3 | HA31 | HA32 | 113.0° | 119.9° |
| N3 | CA3 | C3 | O3 | 158.2° | 1.0° |
| N3 | CA3 | C3 | OXT | 111.8° | 179.0° |
| O2 | C2 | CA2 | CB2 | 2.4° | 0.1° |
| C2 | CA2 | CB2 | CG2 | 177.4° | 178.5° |
| C2 | CA2 | CB2 | HB2 | 2.6° | 0.2° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 178.3° |
| CA2 | CB2 | CG2 | CD1 | 2.6° | 91.7° |
| CA2 | CB2 | CG2 | CD2 | 175.8° | 88.3° |
| C3 | CA3 | HA31 | HA32 | 112.9° | 121.3° |
| CA3 | C3 | O3 | OXT | 96.4° | 180.0° |
| CA3 | C3 | OXT | HXT | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O3 | 32.9° | 120.0° |
| HA31 | CA3 | C3 | OXT | 122.9° | 60.0° |
| HA32 | CA3 | C3 | O3 | 76.5° | 118.2° |
| HA32 | CA3 | C3 | OXT | 13.5° | 61.7° |
| O3 | C3 | OXT | HXT | 50.2° | 0.0° |
| CB2 | CG2 | CD1 | CD2 | 178.4° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 178.7° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 1.2° | 0.0° |
| CB2 | CG2 | CD2 | CE2 | 178.4° | 180.0° |
| CB2 | CG2 | CD2 | HD2 | 1.6° | 0.0° |
| HB2 | CB2 | CG2 | CD1 | 177.4° | 90.0° |
| HB2 | CB2 | CG2 | CD2 | 4.2° | 90.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG2 | CD2 | CE2 | 0.0° | 0.0° |
| CD1 | CG2 | CD2 | HD2 | 180.0° | 180.0° |
| CG2 | CD1 | CE1 | CZ | 0.5° | 0.1° |
| CG2 | CD1 | CE1 | HE1 | 179.4° | 179.9° |
| CD2 | CG2 | CD1 | CE1 | 0.4° | 0.0° |
| CD2 | CG2 | CD1 | HD1 | 179.6° | 179.9° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | F | 179.9° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.3° | 0.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.3° | 0.1° |
| CD1 | CE1 | CZ | OH | 179.8° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.2° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.1° |
| CD2 | CE2 | F | CZ | 179.8° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | F | 0.1° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 179.7° | 180.0° |
| CE1 | CZ | CE2 | F | 179.9° | 179.9° |
| CE1 | CZ | CE2 | OH | 179.9° | 180.0° |
| CE1 | CZ | OH | HOH | 180.0° | 57.5° |
| HE1 | CE1 | CZ | CE2 | 179.6° | 180.0° |
| HE1 | CE1 | CZ | OH | 0.2° | 0.1° |
| F | CE2 | CZ | OH | 0.1° | 0.0° |
| CE2 | CZ | OH | HOH | 0.2° | 122.5° |
