W9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NT | CT | sing | 1.35Å | 1.45Å | |
| CE | SD | sing | 1.81Å | 1.82Å | |
| CG | SD | sing | 1.81Å | 1.82Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CT | N | sing | 1.35Å | 1.45Å | |
| CT | OT | doub | 1.22Å | 1.19Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| NT | H1 | sing | 0.97Å | 1.00Å | |
| NT | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 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 | |
| CE | H9 | sing | 1.09Å | 1.10Å | |
| CE | H10 | sing | 1.09Å | 1.10Å | |
| CE | H11 | sing | 1.09Å | 1.10Å | |
| OXT | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NT | CT | N | 118.2° | 120.0° |
| NT | CT | OT | 120.2° | 120.0° |
| CT | NT | H1 | 120.0° | 120.0° |
| CT | NT | H2 | 120.0° | 120.0° |
| CE | SD | CG | 112.0° | 103.0° |
| SD | CE | H9 | 109.5° | 109.5° |
| SD | CE | H10 | 109.5° | 109.5° |
| SD | CE | H11 | 109.5° | 109.5° |
| SD | CG | CB | 107.2° | 109.5° |
| SD | CG | H7 | 110.1° | 109.4° |
| SD | CG | H8 | 110.0° | 109.5° |
| CG | CB | CA | 112.1° | 109.4° |
| CG | CB | H5 | 108.8° | 109.4° |
| CG | CB | H6 | 108.8° | 109.5° |
| CB | CG | H7 | 110.0° | 109.4° |
| CB | CG | H8 | 110.0° | 109.6° |
| N | CT | OT | 121.7° | 120.1° |
| CT | N | CA | 122.6° | 120.0° |
| CT | N | H3 | 118.7° | 120.1° |
| N | CA | CB | 108.0° | 109.5° |
| N | CA | C | 108.5° | 109.4° |
| CA | N | H3 | 118.7° | 120.0° |
| N | CA | H4 | 111.3° | 109.5° |
| CB | CA | C | 108.7° | 109.4° |
| CB | CA | H4 | 110.2° | 109.5° |
| CA | CB | H5 | 108.8° | 109.4° |
| CA | CB | H6 | 108.8° | 109.5° |
| CA | C | O | 119.7° | 120.0° |
| CA | C | OXT | 120.1° | 120.0° |
| C | CA | H4 | 110.2° | 109.5° |
| O | C | OXT | 120.2° | 120.0° |
| C | OXT | H12 | 109.5° | 117.0° |
| H1 | NT | H2 | 120.0° | 120.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H7 | CG | H8 | 109.5° | 109.5° |
| H9 | CE | H10 | 109.5° | 109.4° |
| H9 | CE | H11 | 109.4° | 109.5° |
| H10 | CE | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NT | CT | N | OT | 180.0° | 179.9° |
| NT | CT | N | CA | 179.3° | 180.0° |
| CT | NT | H1 | H2 | 180.0° | 179.7° |
| NT | CT | N | H3 | 0.7° | 0.1° |
| CE | SD | CG | CB | 140.7° | 179.9° |
| CE | SD | CG | H7 | 99.6° | 60.0° |
| CE | SD | CG | H8 | 21.1° | 60.0° |
| SD | CE | H9 | H10 | 120.0° | 120.0° |
| SD | CE | H9 | H11 | 120.0° | 120.0° |
| SD | CE | H10 | H11 | 120.0° | 120.0° |
| SD | CG | CB | H7 | 119.7° | 119.9° |
| SD | CG | CB | H8 | 119.6° | 120.0° |
| SD | CG | CB | CA | 163.3° | 180.0° |
| SD | CG | CB | H5 | 42.9° | 60.1° |
| SD | CG | CB | H6 | 76.4° | 59.9° |
| SD | CG | H7 | H8 | 121.1° | 120.0° |
| CG | SD | CE | H9 | 180.0° | 60.0° |
| CG | SD | CE | H10 | 60.0° | 60.0° |
| CG | SD | CE | H11 | 60.0° | 180.0° |
| CG | CB | CA | N | 48.3° | 65.0° |
| CG | CB | CA | H5 | 120.4° | 119.9° |
| CG | CB | CA | H6 | 120.4° | 120.1° |
| CG | CB | CA | C | 165.8° | 175.1° |
| CG | CB | CA | H4 | 73.4° | 55.1° |
| CG | CB | H5 | H6 | 118.8° | 120.0° |
| CB | CG | H7 | H8 | 121.0° | 120.1° |
| CT | N | CA | H3 | 180.0° | 179.9° |
| CT | N | CA | CB | 178.7° | 155.0° |
| CT | N | CA | C | 63.7° | 85.1° |
| N | CT | NT | H1 | 180.0° | 0.1° |
| N | CT | NT | H2 | 0.0° | 179.8° |
| CT | N | CA | H4 | 57.6° | 34.9° |
| OT | CT | N | CA | 0.7° | 0.1° |
| OT | CT | NT | H1 | 0.0° | 180.0° |
| OT | CT | NT | H2 | 180.0° | 0.3° |
| OT | CT | N | H3 | 179.3° | 180.0° |
| N | CA | CB | C | 117.5° | 120.0° |
| N | CA | CB | H4 | 121.8° | 120.0° |
| N | CA | C | H4 | 122.0° | 120.0° |
| N | CA | C | O | 24.2° | 0.0° |
| N | CA | C | OXT | 156.1° | 180.0° |
| N | CA | CB | H5 | 168.7° | 54.9° |
| N | CA | CB | H6 | 72.0° | 175.0° |
| CB | CA | C | H4 | 120.8° | 120.0° |
| CB | CA | C | O | 93.0° | 120.1° |
| CB | CA | C | OXT | 86.7° | 60.0° |
| CB | CA | N | H3 | 1.3° | 24.9° |
| CA | CB | H5 | H6 | 118.8° | 120.1° |
| CA | CB | CG | H7 | 77.1° | 60.1° |
| CA | CB | CG | H8 | 43.6° | 60.0° |
| CA | C | O | OXT | 179.7° | 179.9° |
| C | CA | N | H3 | 116.3° | 95.0° |
| C | CA | CB | H5 | 73.8° | 65.0° |
| C | CA | CB | H6 | 45.4° | 55.0° |
| CA | C | OXT | H12 | 179.7° | 180.0° |
| O | C | CA | H4 | 146.2° | 120.0° |
| O | C | OXT | H12 | 0.0° | 0.0° |
| OXT | C | CA | H4 | 34.1° | 60.0° |
| H3 | N | CA | H4 | 122.4° | 145.0° |
| H4 | CA | CB | H5 | 47.0° | 175.0° |
| H4 | CA | CB | H6 | 166.2° | 65.0° |
| H5 | CB | CG | H7 | 162.5° | 180.0° |
| H5 | CB | CG | H8 | 76.8° | 59.9° |
| H6 | CB | CG | H7 | 43.3° | 60.0° |
| H6 | CB | CG | H8 | 164.0° | 180.0° |
| H9 | CE | H10 | H11 | 120.0° | 120.0° |
