85F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | SG | sing | 1.81Å | 1.78Å | |
| SG | CD | sing | 1.81Å | 1.81Å | |
| CD | CE | sing | 1.53Å | 1.55Å | |
| NZ2 | CE | sing | 1.47Å | 1.47Å | |
| CE | CZ1 | sing | 1.51Å | 1.55Å | |
| CZ1 | OH2 | doub | 1.21Å | 1.26Å | |
| CZ1 | OH1 | sing | 1.34Å | 1.27Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CE | H9 | sing | 1.09Å | 1.10Å | |
| NZ2 | H10 | sing | 1.01Å | 1.00Å | |
| NZ2 | H11 | sing | 1.01Å | 1.00Å | |
| OH1 | H13 | sing | 0.97Å | 0.95Å | |
| O | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 117.0° | 120.0° |
| OXT | C | O | 125.5° | 120.0° |
| CA | C | O | 117.4° | 120.0° |
| C | CA | N | 111.2° | 109.5° |
| C | CA | CB | 109.9° | 109.5° |
| C | CA | H4 | 108.4° | 109.5° |
| C | O | H14 | 109.5° | 117.0° |
| N | CA | CB | 110.4° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 108.9° | 109.4° |
| CA | CB | SG | 114.1° | 109.5° |
| CB | CA | H4 | 108.0° | 109.5° |
| CA | CB | H5 | 108.3° | 109.5° |
| CA | CB | H6 | 108.3° | 109.4° |
| CB | SG | CD | 106.4° | 103.0° |
| SG | CB | H5 | 108.3° | 109.5° |
| SG | CB | H6 | 108.3° | 109.5° |
| SG | CD | CE | 114.8° | 109.5° |
| SG | CD | H7 | 108.1° | 109.5° |
| SG | CD | H8 | 108.2° | 109.5° |
| CD | CE | NZ2 | 111.8° | 109.5° |
| CD | CE | CZ1 | 107.4° | 109.5° |
| CE | CD | H7 | 108.1° | 109.4° |
| CE | CD | H8 | 108.1° | 109.5° |
| CD | CE | H9 | 109.2° | 109.5° |
| NZ2 | CE | CZ1 | 108.8° | 109.4° |
| NZ2 | CE | H9 | 110.4° | 109.5° |
| CE | NZ2 | H10 | 109.5° | 111.0° |
| CE | NZ2 | H11 | 109.5° | 111.0° |
| CE | CZ1 | OH2 | 120.7° | 120.0° |
| CE | CZ1 | OH1 | 115.6° | 120.0° |
| CZ1 | CE | H9 | 109.2° | 109.5° |
| OH2 | CZ1 | OH1 | 123.7° | 120.0° |
| CZ1 | OH1 | H13 | 109.5° | 117.0° |
| H1 | N | H2 | 109.4° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.4° |
| H7 | CD | H8 | 109.5° | 109.4° |
| H10 | NZ2 | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 177.6° | 180.0° |
| OXT | C | CA | N | 24.1° | 20.0° |
| OXT | C | CA | CB | 146.7° | 100.0° |
| OXT | C | CA | H4 | 95.5° | 140.0° |
| OXT | C | O | H14 | 0.0° | 0.0° |
| C | CA | N | CB | 122.2° | 120.0° |
| C | CA | N | H4 | 119.4° | 120.0° |
| C | CA | CB | H4 | 118.1° | 120.0° |
| C | CA | CB | SG | 166.4° | 180.0° |
| C | CA | N | H1 | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H5 | 72.9° | 60.0° |
| C | CA | CB | H6 | 45.7° | 60.0° |
| CA | C | O | H14 | 177.4° | 180.0° |
| O | C | CA | N | 158.3° | 160.0° |
| O | C | CA | CB | 35.7° | 80.0° |
| O | C | CA | H4 | 82.1° | 40.0° |
| N | CA | CB | H4 | 118.9° | 120.0° |
| N | CA | CB | SG | 70.6° | 60.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 50.1° | 60.0° |
| N | CA | CB | H6 | 168.7° | 180.0° |
| CA | CB | SG | H5 | 120.7° | 120.0° |
| CA | CB | SG | H6 | 120.7° | 120.0° |
| CA | CB | SG | CD | 175.9° | 180.0° |
| CB | CA | N | H1 | 57.8° | 176.0° |
| CB | CA | N | H2 | 177.8° | 60.0° |
| CA | CB | H5 | H6 | 117.9° | 119.9° |
| CB | SG | CD | CE | 61.3° | 180.0° |
| SG | CB | CA | H4 | 48.3° | 60.0° |
| SG | CB | H5 | H6 | 117.9° | 120.0° |
| CB | SG | CD | H7 | 59.5° | 60.0° |
| CB | SG | CD | H8 | 177.9° | 60.0° |
| SG | CD | CE | H7 | 120.8° | 120.0° |
| SG | CD | CE | H8 | 120.8° | 120.0° |
| SG | CD | CE | NZ2 | 49.8° | 60.0° |
| SG | CD | CE | CZ1 | 169.0° | 180.0° |
| CD | SG | CB | H5 | 63.5° | 60.0° |
| CD | SG | CB | H6 | 55.1° | 60.0° |
| SG | CD | H7 | H8 | 117.6° | 120.0° |
| SG | CD | CE | H9 | 72.6° | 60.0° |
| CD | CE | NZ2 | CZ1 | 118.5° | 120.0° |
| CD | CE | NZ2 | H9 | 121.7° | 120.0° |
| CD | CE | CZ1 | H9 | 118.3° | 120.0° |
| CD | CE | CZ1 | OH2 | 8.9° | 100.0° |
| CD | CE | CZ1 | OH1 | 170.4° | 80.0° |
| CE | CD | H7 | H8 | 117.5° | 120.0° |
| CD | CE | NZ2 | H10 | 180.0° | 176.0° |
| CD | CE | NZ2 | H11 | 60.0° | 60.0° |
| NZ2 | CE | CZ1 | H9 | 120.5° | 120.0° |
| NZ2 | CE | CZ1 | OH2 | 130.1° | 20.0° |
| NZ2 | CE | CZ1 | OH1 | 49.2° | 160.0° |
| NZ2 | CE | CD | H7 | 170.6° | 180.0° |
| NZ2 | CE | CD | H8 | 71.0° | 60.0° |
| CE | NZ2 | H10 | H11 | 120.0° | 124.0° |
| CE | CZ1 | OH2 | OH1 | 179.3° | 180.0° |
| CZ1 | CE | CD | H7 | 70.2° | 60.0° |
| CZ1 | CE | CD | H8 | 48.2° | 59.9° |
| CZ1 | CE | NZ2 | H10 | 61.5° | 64.0° |
| CZ1 | CE | NZ2 | H11 | 58.5° | 60.0° |
| CE | CZ1 | OH1 | H13 | 179.3° | 180.0° |
| OH2 | CZ1 | CE | H9 | 109.4° | 140.0° |
| OH2 | CZ1 | OH1 | H13 | 0.0° | 0.0° |
| OH1 | CZ1 | CE | H9 | 71.3° | 40.0° |
| H1 | N | CA | H4 | 60.6° | 56.1° |
| H2 | N | CA | H4 | 59.4° | 180.0° |
| H4 | CA | CB | H5 | 169.0° | 180.0° |
| H4 | CA | CB | H6 | 72.4° | 60.1° |
| H7 | CD | CE | H9 | 48.2° | 60.1° |
| H8 | CD | CE | H9 | 166.6° | 180.0° |
| H9 | CE | NZ2 | H10 | 58.3° | 56.0° |
| H9 | CE | NZ2 | H11 | 178.3° | 180.0° |
