MHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.40Å | |
| C3 | CA3 | sing | 1.51Å | 1.53Å | |
| CA3 | N3 | sing | 1.47Å | 1.47Å | |
| N1 | CA1 | sing | 1.47Å | 1.44Å | |
| N3 | C2 | sing | 1.35Å | 1.32Å | |
| N3 | C1 | sing | 1.37Å | 1.34Å | |
| O2 | C2 | doub | 1.22Å | 1.19Å | |
| CA1 | C1 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| C2 | CA2 | sing | 1.47Å | 1.38Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| CG1 | CB1 | sing | 1.53Å | 1.53Å | |
| CB1 | OG1 | sing | 1.43Å | 1.40Å | |
| CA2 | N2 | sing | 1.37Å | 1.33Å | |
| CA2 | CB2 | doub | 1.38Å | 1.33Å | |
| CB2 | CG2 | sing | 1.46Å | 1.54Å | |
| CG2 | CD2 | doub | 1.40Å | 1.39Å | Aromatic |
| CG2 | CD1 | sing | 1.40Å | 1.38Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | F17 | sing | 1.35Å | 1.36Å | |
| CE2 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.37Å | Aromatic |
| CE1 | F13 | sing | 1.35Å | 1.37Å | |
| CZ | OH | sing | 1.36Å | 1.39Å | |
| C3 | OXT | sing | 1.34Å | 1.29Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.09Å | 1.10Å | |
| CG1 | H7 | sing | 1.09Å | 1.10Å | |
| CG1 | H8 | sing | 1.09Å | 1.10Å | |
| OG1 | H9 | sing | 0.97Å | 0.95Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | H13 | sing | 1.08Å | 1.08Å | |
| CD1 | H15 | sing | 1.08Å | 1.08Å | |
| CD2 | H16 | sing | 1.08Å | 1.08Å | |
| OH | H17 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 109.1° | 120.0° |
| O3 | C3 | OXT | 121.6° | 120.0° |
| C3 | CA3 | N3 | 111.4° | 109.5° |
| CA3 | C3 | OXT | 116.4° | 120.0° |
| C3 | CA3 | HA31 | 108.9° | 109.5° |
| C3 | CA3 | HA32 | 109.0° | 109.5° |
| CA3 | N3 | C2 | 125.5° | 125.8° |
| CA3 | N3 | C1 | 126.6° | 125.8° |
| N3 | CA3 | HA31 | 109.0° | 109.4° |
| N3 | CA3 | HA32 | 109.0° | 109.4° |
| N1 | CA1 | C1 | 109.3° | 109.5° |
| N1 | CA1 | CB1 | 111.3° | 109.4° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.1° |
| N1 | CA1 | HA1 | 108.4° | 109.5° |
| C2 | N3 | C1 | 107.9° | 108.4° |
| N3 | C2 | O2 | 125.3° | 127.4° |
| N3 | C2 | CA2 | 108.1° | 105.2° |
| N3 | C1 | CA1 | 124.0° | 124.3° |
| N3 | C1 | N2 | 109.1° | 111.3° |
| O2 | C2 | CA2 | 126.6° | 127.4° |
| C1 | CA1 | CB1 | 113.2° | 109.5° |
| CA1 | C1 | N2 | 126.9° | 124.3° |
| C1 | CA1 | HA1 | 107.2° | 109.5° |
| CA1 | CB1 | CG1 | 112.1° | 109.4° |
| CA1 | CB1 | OG1 | 109.6° | 109.5° |
| CB1 | CA1 | HA1 | 107.3° | 109.5° |
| CA1 | CB1 | H5 | 108.5° | 109.4° |
| C2 | CA2 | N2 | 107.1° | 105.8° |
| C2 | CA2 | CB2 | 123.7° | 127.1° |
| C1 | N2 | CA2 | 107.8° | 109.3° |
| CG1 | CB1 | OG1 | 107.8° | 109.5° |
| CG1 | CB1 | H5 | 108.5° | 109.5° |
| CB1 | CG1 | H6 | 109.5° | 109.5° |
| CB1 | CG1 | H7 | 109.5° | 109.4° |
| CB1 | CG1 | H8 | 109.5° | 109.4° |
| OG1 | CB1 | H5 | 110.2° | 109.5° |
| CB1 | OG1 | H9 | 109.5° | 114.0° |
| N2 | CA2 | CB2 | 129.2° | 127.1° |
| CA2 | CB2 | CG2 | 128.1° | 120.0° |
| CA2 | CB2 | H13 | 116.0° | 120.0° |
| CB2 | CG2 | CD2 | 122.9° | 120.2° |
| CB2 | CG2 | CD1 | 117.7° | 120.1° |
| CG2 | CB2 | H13 | 116.0° | 120.0° |
| CD2 | CG2 | CD1 | 119.4° | 119.7° |
| CG2 | CD2 | CE2 | 119.7° | 119.9° |
| CG2 | CD2 | H16 | 120.1° | 120.0° |
| CG2 | CD1 | CE1 | 120.7° | 119.9° |
| CG2 | CD1 | H15 | 119.7° | 120.1° |
| CD2 | CE2 | F17 | 121.2° | 119.9° |
| CD2 | CE2 | CZ | 120.2° | 120.1° |
| CE2 | CD2 | H16 | 120.1° | 120.1° |
| CD1 | CE1 | CZ | 119.6° | 120.2° |
| CD1 | CE1 | F13 | 121.0° | 120.0° |
| CE1 | CD1 | H15 | 119.6° | 120.0° |
| F17 | CE2 | CZ | 118.6° | 119.9° |
| CE2 | CZ | CE1 | 120.3° | 120.2° |
| CE2 | CZ | OH | 119.9° | 119.9° |
| CZ | CE1 | F13 | 119.3° | 119.9° |
| CE1 | CZ | OH | 119.8° | 119.9° |
| CZ | OH | H17 | 109.5° | 114.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H | N1 | H2 | 109.5° | 110.9° |
| H6 | CG1 | H7 | 109.5° | 109.5° |
| H6 | CG1 | H8 | 109.5° | 109.5° |
| H7 | CG1 | H8 | 109.5° | 109.5° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 142.3° | 180.0° |
| O3 | C3 | CA3 | N3 | 164.5° | 0.0° |
| O3 | C3 | CA3 | HA31 | 75.2° | 120.0° |
| O3 | C3 | CA3 | HA32 | 44.2° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | HA31 | 120.3° | 120.0° |
| C3 | CA3 | N3 | HA32 | 120.3° | 120.0° |
| C3 | CA3 | N3 | C2 | 78.9° | 89.9° |
| C3 | CA3 | N3 | C1 | 102.2° | 90.1° |
| C3 | CA3 | HA31 | HA32 | 119.1° | 120.0° |
| CA3 | C3 | OXT | HXT | 137.3° | 180.0° |
| CA3 | N3 | C2 | C1 | 179.1° | 180.0° |
| CA3 | N3 | C2 | O2 | 0.6° | 0.1° |
| CA3 | N3 | C1 | CA1 | 0.7° | 0.1° |
| CA3 | N3 | C2 | CA2 | 179.0° | 179.9° |
| CA3 | N3 | C1 | N2 | 179.1° | 179.8° |
| N3 | CA3 | C3 | OXT | 53.2° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 119.1° | 119.9° |
| N1 | CA1 | C1 | N3 | 77.4° | 144.8° |
| N1 | CA1 | C1 | CB1 | 124.6° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.2° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 118.4° | 120.0° |
| N1 | CA1 | C1 | N2 | 102.3° | 34.9° |
| N1 | CA1 | CB1 | CG1 | 54.0° | 55.0° |
| N1 | CA1 | CB1 | OG1 | 65.7° | 65.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | CB1 | H5 | 173.8° | 175.0° |
| N3 | C2 | O2 | CA2 | 179.5° | 179.8° |
| C2 | N3 | C1 | CA1 | 179.7° | 180.0° |
| C2 | N3 | C1 | N2 | 0.0° | 0.2° |
| N3 | C2 | CA2 | N2 | 0.2° | 0.0° |
| N3 | C2 | CA2 | CB2 | 180.0° | 179.9° |
| C2 | N3 | CA3 | HA31 | 160.9° | 150.0° |
| C2 | N3 | CA3 | HA32 | 41.4° | 30.1° |
| C1 | N3 | C2 | O2 | 179.7° | 180.0° |
| N3 | C1 | CA1 | N2 | 179.7° | 179.7° |
| N3 | C1 | CA1 | CB1 | 157.9° | 95.3° |
| C1 | N3 | C2 | CA2 | 0.1° | 0.1° |
| N3 | C1 | N2 | CA2 | 0.1° | 0.2° |
| N3 | C1 | CA1 | HA1 | 39.8° | 24.7° |
| C1 | N3 | CA3 | HA31 | 18.0° | 29.9° |
| C1 | N3 | CA3 | HA32 | 137.5° | 149.9° |
| O2 | C2 | CA2 | N2 | 179.7° | 179.8° |
| O2 | C2 | CA2 | CB2 | 0.5° | 0.2° |
| C1 | CA1 | CB1 | HA1 | 118.0° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 177.6° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 57.9° | 55.0° |
| CA1 | C1 | N2 | CA2 | 179.6° | 180.0° |
| C1 | CA1 | N1 | H | 180.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| C1 | CA1 | CB1 | H5 | 62.6° | 65.0° |
| CB1 | CA1 | C1 | N2 | 22.4° | 85.0° |
| CA1 | CB1 | CG1 | OG1 | 120.8° | 120.0° |
| CA1 | CB1 | CG1 | H5 | 119.9° | 119.9° |
| CA1 | CB1 | OG1 | H5 | 119.4° | 120.0° |
| CB1 | CA1 | N1 | H | 54.3° | 60.0° |
| CB1 | CA1 | N1 | H2 | 174.3° | 64.0° |
| CA1 | CB1 | CG1 | H6 | 180.0° | 60.1° |
| CA1 | CB1 | CG1 | H7 | 60.0° | 180.0° |
| CA1 | CB1 | CG1 | H8 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | H9 | 180.0° | 60.0° |
| C2 | CA2 | N2 | C1 | 0.2° | 0.1° |
| C2 | CA2 | N2 | CB2 | 179.8° | 179.9° |
| C2 | CA2 | CB2 | CG2 | 169.6° | 174.8° |
| C2 | CA2 | CB2 | H13 | 10.4° | 5.2° |
| C1 | N2 | CA2 | CB2 | 180.0° | 179.8° |
| N2 | C1 | CA1 | HA1 | 140.5° | 155.0° |
| CG1 | CB1 | OG1 | H5 | 118.3° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 64.4° | 65.0° |
| CB1 | CG1 | H6 | H7 | 120.0° | 119.9° |
| CB1 | CG1 | H6 | H8 | 120.0° | 120.0° |
| CB1 | CG1 | H7 | H8 | 120.0° | 119.9° |
| CG1 | CB1 | OG1 | H9 | 57.7° | 60.0° |
| OG1 | CB1 | CA1 | HA1 | 175.9° | 175.0° |
| OG1 | CB1 | CG1 | H6 | 59.2° | 60.0° |
| OG1 | CB1 | CG1 | H7 | 179.2° | 60.0° |
| OG1 | CB1 | CG1 | H8 | 60.8° | 180.0° |
| N2 | CA2 | CB2 | CG2 | 10.6° | 5.1° |
| N2 | CA2 | CB2 | H13 | 169.4° | 174.9° |
| CA2 | CB2 | CG2 | H13 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD2 | 27.9° | 174.0° |
| CA2 | CB2 | CG2 | CD1 | 153.3° | 6.3° |
| CB2 | CG2 | CD2 | CD1 | 178.7° | 179.7° |
| CB2 | CG2 | CD2 | CE2 | 179.3° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 179.1° | 180.0° |
| CB2 | CG2 | CD1 | H15 | 0.9° | 0.1° |
| CB2 | CG2 | CD2 | H16 | 0.7° | 0.1° |
| CG2 | CD2 | CE2 | H16 | 180.0° | 179.9° |
| CD2 | CG2 | CD1 | CE1 | 0.3° | 0.3° |
| CG2 | CD2 | CE2 | F17 | 179.8° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.6° | 0.1° |
| CD2 | CG2 | CB2 | H13 | 152.1° | 6.1° |
| CD2 | CG2 | CD1 | H15 | 179.7° | 179.8° |
| CD1 | CG2 | CD2 | CE2 | 0.5° | 0.3° |
| CG2 | CD1 | CE1 | H15 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG2 | CD1 | CE1 | F13 | 179.5° | 180.0° |
| CD1 | CG2 | CB2 | H13 | 26.7° | 173.6° |
| CD1 | CG2 | CD2 | H16 | 179.5° | 179.8° |
| CD2 | CE2 | F17 | CZ | 179.6° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.4° | 0.2° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD1 | CE1 | CZ | F13 | 179.7° | 180.0° |
| CD1 | CE1 | CZ | OH | 179.8° | 180.0° |
| F17 | CE2 | CZ | CE1 | 180.0° | 179.7° |
| F17 | CE2 | CZ | OH | 0.3° | 0.1° |
| F17 | CE2 | CD2 | H16 | 0.2° | 0.1° |
| CE2 | CZ | CE1 | OH | 179.6° | 179.8° |
| CE2 | CZ | CE1 | F13 | 179.5° | 179.8° |
| CZ | CE2 | CD2 | H16 | 179.4° | 180.0° |
| CE2 | CZ | OH | H17 | 180.0° | 89.8° |
| CZ | CE1 | CD1 | H15 | 179.9° | 180.0° |
| CE1 | CZ | OH | H17 | 0.4° | 90.0° |
| F13 | CE1 | CZ | OH | 0.2° | 0.0° |
| F13 | CE1 | CD1 | H15 | 0.4° | 0.1° |
| OXT | C3 | CA3 | HA31 | 67.1° | 60.0° |
| OXT | C3 | CA3 | HA32 | 173.5° | 60.0° |
| H | N1 | CA1 | HA1 | 63.5° | 180.0° |
| H2 | N1 | CA1 | HA1 | 56.5° | 56.0° |
| HA1 | CA1 | CB1 | H5 | 55.4° | 55.0° |
| H5 | CB1 | CG1 | H6 | 60.2° | 180.0° |
| H5 | CB1 | CG1 | H7 | 59.9° | 60.0° |
| H5 | CB1 | CG1 | H8 | 179.8° | 59.9° |
| H5 | CB1 | OG1 | H9 | 60.6° | 180.0° |
| H6 | CG1 | H7 | H8 | 120.0° | 120.1° |
