A1D5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C7 | sing | 1.45Å | 1.40Å | |
| OXT | C | sing | 1.34Å | 1.39Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.18Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| NZ | CE | sing | 1.47Å | 1.45Å | |
| 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 | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CE | H11 | sing | 1.09Å | 1.10Å | |
| CE | H12 | sing | 1.09Å | 1.10Å | |
| NZ | H13 | sing | 1.01Å | 1.00Å | |
| NZ | H14 | sing | 1.01Å | 1.00Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | OXT | C | 114.2° | 117.0° |
| OXT | C7 | H16 | 109.5° | 109.5° |
| OXT | C7 | H17 | 109.5° | 109.5° |
| OXT | C7 | H18 | 109.5° | 109.5° |
| OXT | C | CA | 120.6° | 120.0° |
| OXT | C | O | 119.4° | 120.0° |
| N | CA | C | 108.4° | 109.5° |
| N | CA | CB | 111.6° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 110.6° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| C | CA | CB | 106.7° | 109.5° |
| C | CA | H4 | 109.8° | 109.5° |
| CA | CB | CG | 113.8° | 109.5° |
| CB | CA | H4 | 109.7° | 109.4° |
| CA | CB | H5 | 108.4° | 109.5° |
| CA | CB | H6 | 108.4° | 109.5° |
| CB | CG | CD | 113.0° | 109.5° |
| CG | CB | H5 | 108.4° | 109.5° |
| CG | CB | H6 | 108.4° | 109.5° |
| CB | CG | H7 | 108.6° | 109.5° |
| CB | CG | H8 | 108.6° | 109.5° |
| CG | CD | CE | 113.7° | 109.5° |
| CD | CG | H7 | 108.6° | 109.4° |
| CD | CG | H8 | 108.6° | 109.5° |
| CG | CD | H9 | 108.4° | 109.5° |
| CG | CD | H10 | 108.4° | 109.5° |
| CD | CE | NZ | 110.7° | 109.5° |
| CE | CD | H9 | 108.4° | 109.5° |
| CE | CD | H10 | 108.4° | 109.5° |
| CD | CE | H11 | 109.2° | 109.5° |
| CD | CE | H12 | 109.2° | 109.4° |
| NZ | CE | H11 | 109.2° | 109.5° |
| NZ | CE | H12 | 109.2° | 109.5° |
| CE | NZ | H13 | 109.5° | 111.0° |
| CE | NZ | H14 | 109.5° | 111.1° |
| H1 | N | H2 | 109.5° | 110.9° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H7 | CG | H8 | 109.5° | 109.4° |
| H9 | CD | H10 | 109.5° | 109.4° |
| H11 | CE | H12 | 109.5° | 109.5° |
| H13 | NZ | H14 | 109.5° | 111.0° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H16 | C7 | H18 | 109.5° | 109.4° |
| H17 | C7 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | OXT | C | CA | 114.7° | 180.0° |
| C7 | OXT | C | O | 65.4° | 0.0° |
| OXT | C7 | H16 | H17 | 120.0° | 120.0° |
| OXT | C7 | H16 | H18 | 120.0° | 120.0° |
| OXT | C7 | H17 | H18 | 120.0° | 120.0° |
| OXT | C | CA | N | 27.1° | 160.0° |
| OXT | C | CA | O | 179.9° | 180.0° |
| OXT | C | CA | CB | 93.2° | 80.0° |
| OXT | C | CA | H4 | 148.1° | 40.0° |
| C | OXT | C7 | H16 | 180.0° | 60.0° |
| C | OXT | C7 | H17 | 60.0° | 60.0° |
| C | OXT | C7 | H18 | 60.0° | 180.0° |
| N | CA | C | CB | 120.3° | 120.0° |
| N | CA | C | H4 | 120.9° | 120.0° |
| N | CA | C | O | 152.8° | 20.0° |
| N | CA | CB | H4 | 123.0° | 120.0° |
| N | CA | CB | CG | 105.5° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 15.2° | 55.0° |
| N | CA | CB | H6 | 133.9° | 175.0° |
| C | CA | CB | H4 | 118.8° | 120.0° |
| C | CA | CB | CG | 136.3° | 175.0° |
| C | CA | N | H1 | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | H5 | 103.0° | 65.0° |
| C | CA | CB | H6 | 15.7° | 55.0° |
| O | C | CA | CB | 86.9° | 100.0° |
| O | C | CA | H4 | 31.9° | 140.0° |
| CA | CB | CG | H5 | 120.6° | 120.0° |
| CA | CB | CG | H6 | 120.6° | 120.1° |
| CA | CB | CG | CD | 170.9° | NaN° |
| CB | CA | N | H1 | 62.8° | 60.0° |
| CB | CA | N | H2 | 177.2° | 63.9° |
| CA | CB | H5 | H6 | 118.0° | 120.0° |
| CA | CB | CG | H7 | 50.4° | 60.0° |
| CA | CB | CG | H8 | 68.6° | 60.0° |
| CB | CG | CD | H7 | 120.5° | 120.0° |
| CB | CG | CD | H8 | 120.5° | 120.1° |
| CB | CG | CD | CE | 148.5° | 180.0° |
| CG | CB | CA | H4 | 17.5° | 55.0° |
| CG | CB | H5 | H6 | 118.0° | 120.0° |
| CB | CG | H7 | H8 | 118.4° | 120.0° |
| CB | CG | CD | H9 | 27.9° | 60.0° |
| CB | CG | CD | H10 | 90.9° | 60.0° |
| CG | CD | CE | H9 | 120.6° | 120.0° |
| CG | CD | CE | H10 | 120.6° | 120.1° |
| CG | CD | CE | NZ | 91.2° | 180.0° |
| CD | CG | CB | H5 | 68.5° | 60.0° |
| CD | CG | CB | H6 | 50.3° | 59.9° |
| CD | CG | H7 | H8 | 118.4° | 119.9° |
| CG | CD | H9 | H10 | 118.1° | 120.0° |
| CG | CD | CE | H11 | 148.6° | 60.0° |
| CG | CD | CE | H12 | 29.0° | 60.0° |
| CD | CE | NZ | H11 | 120.2° | 120.0° |
| CD | CE | NZ | H12 | 120.2° | 120.0° |
| CE | CD | CG | H7 | 91.0° | 60.0° |
| CE | CD | CG | H8 | 28.0° | 59.9° |
| CE | CD | H9 | H10 | 118.0° | 119.9° |
| CD | CE | H11 | H12 | 119.5° | 119.9° |
| CD | CE | NZ | H13 | 180.0° | 56.0° |
| CD | CE | NZ | H14 | 60.0° | 180.0° |
| NZ | CE | CD | H9 | 29.4° | 60.0° |
| NZ | CE | CD | H10 | 148.1° | 60.0° |
| NZ | CE | H11 | H12 | 119.5° | 120.0° |
| CE | NZ | H13 | H14 | 120.0° | 124.0° |
| H1 | N | CA | H4 | 59.6° | 179.9° |
| H2 | N | CA | H4 | 60.4° | 56.1° |
| H4 | CA | CB | H5 | 138.2° | 175.0° |
| H4 | CA | CB | H6 | 103.1° | 65.0° |
| H5 | CB | CG | H7 | 171.0° | 180.0° |
| H5 | CB | CG | H8 | 52.1° | 60.0° |
| H6 | CB | CG | H7 | 70.2° | 60.0° |
| H6 | CB | CG | H8 | 170.8° | 180.0° |
| H7 | CG | CD | H9 | 148.4° | 180.0° |
| H7 | CG | CD | H10 | 29.6° | 60.1° |
| H8 | CG | CD | H9 | 92.7° | 60.1° |
| H8 | CG | CD | H10 | 148.6° | 180.0° |
| H9 | CD | CE | H11 | 90.8° | 180.0° |
| H9 | CD | CE | H12 | 149.6° | 60.0° |
| H10 | CD | CE | H11 | 27.9° | 60.1° |
| H10 | CD | CE | H12 | 91.7° | 180.0° |
| H11 | CE | NZ | H13 | 59.8° | 64.0° |
| H11 | CE | NZ | H14 | 179.8° | 60.0° |
| H12 | CE | NZ | H13 | 59.8° | 176.0° |
| H12 | CE | NZ | H14 | 60.2° | 60.0° |
| H16 | C7 | H17 | H18 | 120.0° | 119.9° |
